Tunable magnetism of 3d transition metal doped BiFeO3

NASA Astrophysics Data System (ADS)

Lu, S.; Li, C.; Zhao, Y. F.; Gong, Y. Y.; Niu, L. Y.; Liu, X. J.; Wang, T.

2017-10-01

Electronic polarization or bond relaxation can effectively alter the electronic and magnetic behavior of materials by doping impurity atom. For this aim, the thermodynamic, electronic and magnetic performances of cubic BiFeO3 have been modulated by the 3d transition metal (TM) dopants (Sc, Ti, V, Cr, Mn, Co, Ni, Cu and Zn) based on the density functional theory. Results show that the doped specimen with low impurity concentration is more stable than that with high impurity concentration. The Mulliken charge values and spin magnetic moments of TM element are making major changes, while those of all host atoms are making any major changes. Especially, it is the linear relation between the spin magnetic moments of TM dopants and the total magnetic moment of doped specimens; thus, the variations of total magnetic moment of doped specimens are decided by the spin magnetic moments of TM dopants, thought the total magnetic moments of doped specimens mainly come from Fe atom and TM dopants. Besides, as double TM atoms substitution the Fe atoms, the Sc-, Ti-, Mn-, Co- and Zn-doped specimens show AFM state, while the V-, Cr-, Ni- and Cu-doped specimens show FM state.

Distribution trends and influence of 4d transition metal elements (Ru, Rh and Pd) doping on mechanical properties and martensitic transformation temperature of B2-ZrCu phase

NASA Astrophysics Data System (ADS)

Guo, Fuda; Zhan, Yongzhong

2017-12-01

The prediction for distribution trends and effect of three 4d transition metal elements (Ru, Rh and Pd) on mechanical properties and martensitic transformation temperature of B2-ZrCu phase were investigated by first-principles calculations. The convex surface of formation energy suggests that the alloying elements prefer to occupy the Cu sites in B2-ZrCu phase and the dopants studied in present are able to strengthen the phase stability. The calculated results of substitutional formation energy suggest that the distribution trend of dopants in B2-ZrCu phase is Ru > Rh > Pd below the dopant concentration 9 at. %, and the distribution trend is Rh > Pd > Ru from 9 at. % to 12.5 at. %. The elastic constants and mechanical properties including bulk modulus and shear modulus were calculated and discussed. The brittleness/ductility characteristic was investigated using the B/G ratio, Poisson's ratio v and Cauchy pressure Cp. The martensitic transformation temperature (Ms) and melting point (Tm) were predicted by using two cubic elastic moduli (C‧ and C44). The prediction results suggest that only the Ms of Zr8Cu7Pd is higher than the parent. The martensitic transformation temperatures of other compounds decrease with the addition of 4d transition metal dopants. Finally, the electronic structures and electron density different were discussed to reveal the bonding characteristics.

Highly efficient photocatalysis by BiFeO3/α(γ)-Fe2O3 ferromagnetic nano p/n junctions formed by dopant-induced phase separation

NASA Astrophysics Data System (ADS)

Ramadan, Wegdan; Shaikh, Parvez A.; Ebrahim, Sh.; Ramadan, Abdallah; Hannoyer, Beatrice; Jouen, Samuel; Sauvage, Xavier; Ogale, Satishchandra

2013-08-01

A series of Bi1- x Ca x FeO3 (BCFO) nanoparticles (with x = 0.0, 0.03, 0.07, 0.10, 0.15, and 0.20) have been synthesized by sol-gel reaction. X-ray diffraction patterns establish the formation of hexagonal bismuth ferrite as the prominent phase, with a small contribution of the Bi2Fe4O9 phase (as reported by others as well) which diminishes rapidly with the increase in Ca concentration. Interestingly, above a calcium dopant concentration of about 10 % peaks of Fe2O3 (both α and γ components) are observed with a concomitant enhancement of ferromagnetism. Small contribution of the Bi6Ca4O13 phase is also noted in these samples. This phase evolution is driven by dopant-induced strain energy and increasing oxygen vacancy concentration for local charge balance. Transmission electron microscopy (with elemental scanning) and Mössbauer spectroscopy techniques bring out the evolution of nanoparticle morphology (and elemental distribution) and phase configuration, respectively. Measurements of photocatalytic activity (and photo-Fenton activity with H2O2) reveal that Ca doping at the Bi site in BFO enhances the activity significantly in the concentration regime where BFO/α(γ)-Fe2O3 phases coexist in the form of a nanocomposite. The enhancement can thus be attributed to the carrier transfer between BFO and α(γ)-Fe2O3 across nano p/n junctions leading to enhanced carrier lifetime. Importantly, the magnetization of the nanocomposite (about 16 emu gm-1 at x = 0.20) provides a convenient way to collect the photocatalyst with the help of an external magnet for reuse.

Impact of dopant concentrations on emitter formation with spin on dopant source in n-type crystalline silicon solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singha, Bandana; Solanki, Chetan Singh

Use of a suitable dopant source for emitter formation is an essential requirement in n-type crystalline silicon solar cells. Boron spin on dopant source, used as alternative to mostly used BBr{sub 3} liquid source, can yield an emitter with less diffusion induced defects under controlled conditions. Different concentrations of commercially available spin on dopant source is used and optimized in this work for sheet resistance values of the emitter ranging from 30 Ω/□ to 70 Ω/□ with emitter doping concentrations suitable for ohmic contacts. The dopant concentrations diluted with different ratios improves the carrier lifetime and thus improves the emittermore » performance. Hence use of suitable dopant source is essential in forming emitters in n-type crystalline silicon solar cells.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dholabhai, Pratik P., E-mail: pratik.dholabhai@asu.ed; Anwar, Shahriar, E-mail: anwar@asu.ed; Adams, James B., E-mail: jim.adams@asu.ed

Kinetic lattice Monte Carlo (KLMC) model is developed for investigating oxygen vacancy diffusion in praseodymium-doped ceria. The current approach uses a database of activation energies for oxygen vacancy migration, calculated using first-principles, for various migration pathways in praseodymium-doped ceria. Since the first-principles calculations revealed significant vacancy-vacancy repulsion, we investigate the importance of that effect by conducting simulations with and without a repulsive interaction. Initially, as dopant concentrations increase, vacancy concentration and thus conductivity increases. However, at higher concentrations, vacancies interfere and repel one another, and dopants trap vacancies, creating a 'traffic jam' that decreases conductivity, which is consistent with themore » experimental findings. The modeled effective activation energy for vacancy migration slightly increased with increasing dopant concentration in qualitative agreement with the experiment. The current methodology comprising a blend of first-principle calculations and KLMC model provides a very powerful fundamental tool for predicting the optimal dopant concentration in ceria related materials. -- graphical abstract: Ionic conductivity in praseodymium doped ceria as a function of dopant concentration calculated using the kinetic lattice Monte Carlo vacancy-repelling model, which predicts the optimal composition for achieving maximum conductivity. Display Omitted Research highlights: {yields} KLMC method calculates the accurate time-dependent diffusion of oxygen vacancies. {yields} KLMC-VR model predicts a dopant concentration of {approx}15-20% to be optimal in PDC. {yields} At higher dopant concentration, vacancies interfere and repel one another, and dopants trap vacancies. {yields} Activation energy for vacancy migration increases as a function of dopant content« less

Doping optimization of polypyrrole with toluenesulfonic acid using Box-Behnken design

DOE Office of Scientific and Technical Information (OSTI.GOV)

Syed Draman, Sarifah Fauziah; Daik, Rusli; El-Sheikh, Said M.

A three-level Box-Behnken design was employed in doping optimization of polypyrrole with toluenesulfonic acid (TSA-doped PPy). The material was synthesized via chemical oxidative polymerization using pyrrole, toluenesulfonic acid (TSA) and ammonium persulfate (APS) as monomer, dopant and oxidant, respectively. The critical factors selected for this study were concentration of dopant, molar ratio between dopant to monomer (pyrrole) and concentration of oxidant. Obtaining adequate doping level of TSA-doped PPy is crucial because it affects the charge carriers for doped PPy and usually be responsible for electronic mobility along polymeric chain. Furthermore, the doping level also affects other properties such as electricalmore » and thermal conductivity. Doping level was calculated using elemental analysis. SEM images shows that the prepared TSA-doped PPy particles are spherical in shape with the diameters of about. The range of nanoparticles size is around 80-100 nm. The statistical analysis based on a Box–Behnken design showed that 0.01 mol of TSA, 1:1 mole ratio TSA to pyrrole and 0.25 M APS were the optimum conditions for sufficient doping level.« less

Oxygen adsorption onto pure and doped Al surfaces--the role of surface dopants.

PubMed

Lousada, Cláudio M; Korzhavyi, Pavel A

2015-01-21

Using density functional theory (DFT) with the PBE0 density functional we investigated the role of surface dopants in the molecular and dissociative adsorption of O2 onto Al clusters of types Al50, Al50Alad, Al50X and Al49X, where X represents a dopant atom of the following elements Si, Mg, Cu, Sc, Zr, and Ti. Each dopant atom was placed on the Al(111) surface as an adatom or as a substitutional atom, in the last case replacing a surface Al atom. We found that for the same dopant geometry, the closer is the ionization energy of the dopant element to that of elemental Al, the more exothermic is the dissociative adsorption of O2 and the stronger are the bonds between the resulting O atoms and the surface. Additionally we show that the Mulliken concept of electronegativity can be applied in the prediction of the dissociative adsorption energy of O2 on the doped surfaces. The Mulliken modified second-stage electronegativity of the dopant atom is proportional to the exothermicity of the dissociative adsorption of O2. For the same dopant element in an adatom position the dissociation of O2 is more exothermic when compared to the case where the dopant occupies a substitutional position. These observations are discussed in view of the overlap population densities of states (OPDOS) computed as the overlap between the electronic states of the adsorbate O atoms and the clusters. It is shown that a more covalent character in the bonding between the Al surface and the dopant atom causes a more exothermic dissociation of O2 and stronger bonding with the O atoms when compared to a more ionic character in the bonding between the dopant and the Al surface. The extent of the adsorption site reconstruction is dopant atom dependent and is an important parameter for determining the mode of adsorption, adsorption energy and electronic structure of the product of O2 adsorption. The PBE0 functional could predict the existence of the O2 molecular adsorption product for many of the cases investigated here.

Radial segregation induced by natural convection and melt/solid interface shape in vertical Bridgman growth

NASA Technical Reports Server (NTRS)

Chang, C. J.; Brown, R. A.

1983-01-01

The roles of natural convection in the melt and the shape of the melt/solid interface on radial dopant segregation are analyzed for a prototype of vertical Bridgman crystal growth system by finite element methods that solve simultaneously for the velocity field in the melt, the shape of the solidification isotherm, and the temperature distribution in both phases. Results are presented for crystal and melt with thermophysical properties similar to those of gallium-doped germanium in Bridgman configurations with melt below (thermally destabilizing) and above (stabilizing) the crystal. Steady axisymmetric flow are classified according to Rayleigh number as either being nearly the growth velocity, having a weak cellular structure or having large amplitude cellular convention. The flows in the two Bridgman configurations are driven by different temperature gradients and are in opposite directions. Finite element calculations for the transport of a dilute dopant by these flow fields reveal radial segregation levels as large as sixty percent of the mean concentration. Segregation is found most severe at an intermediate value of Rayleigh number above which the dopant distribution along the interface levels as the intensity of the flow increases.

General control of transition-metal-doped GaN nanowire growth: toward understanding the mechanism of dopant incorporation.

PubMed

Stamplecoskie, Kevin G; Ju, Ling; Farvid, Shokouh S; Radovanovic, Pavle V

2008-09-01

We report the first synthesis and characterization of cobalt- and chromium-doped GaN nanowires (NWs), and compare them to manganese-doped GaN NWs. Samples were synthesized by chemical vapor deposition method, using cobalt(II) chloride and chromium(III) chloride as dopant precursors. For all three impurity dopants hexagonal, triangular, and rectangular NWs were observed. The fraction of NWs having a particular morphology depends on the initial concentration of the dopant precursors. While all three dopant ions have the identical effect on GaN NW growth and faceting, Co and Cr are incorporated at much lower concentrations than Mn. These findings suggest that the doping mechanism involves binding of the transition-metal intermediates to specific NW facets, inhibiting their growth and causing a change in the NW morphology. We discuss the doping concentrations of Mn, Co, and Cr in terms of differences in their crystal-field stabilization energies (DeltaCFSE) in their gas-phase intermediates and in substitutionally doped GaN NWs. Using iron(III) chloride and cobalt(II) acetate as dopant precursors we show that the doping concentration dependence on DeltaCFSE allows for the prediction of achievable doping concentrations for different dopant ions in GaN NWs, and for a rational choice of a suitable dopant-ion precursor. This work further demonstrates a general and rational control of GaN NW growth using transition-metal impurities.

Properties of Transition Metal Doped Alumina

NASA Astrophysics Data System (ADS)

Nykwest, Erik; Limmer, Krista; Brennan, Ray; Blair, Victoria; Ramprasad, Rampi

Crystallographic texture can have profound effects on the properties of a material. One method of texturing is through the application of an external magnetic field during processing. While this method works with highly magnetic systems, doping is required to couple non-magnetic systems with the external field. Experiments have shown that low concentrations of rare earth (RE) dopants in alumina powders have enabled this kind of texturing. The magnetic properties of RE elements are directly related to their f orbital, which can have as many as 7 unpaired electrons. Since d-block elements can have as many as 5 unpaired electrons the effects of substitutional doping of 3d transition metals (TM) for Al in alpha (stable) and theta (metastable) alumina on the local structure and magnetic properties, in addition to the energetic cost, have been calculated by performing first-principles calculations based on density functional theory. This study has led to the development of general guidelines for the magnetic moment distribution at and around the dopant atom, and the dependence of this distribution on the dopant atom type and its coordination environment. It is anticipated that these findings can aid in the selection of suitable dopants help to guide parallel experimental efforts. This project was supported in part by an internship at the Army Research Laboratory, administered by the Oak Ridge Institute for Science and Education, along with a grant of computer time from the DoD High Performance Computing Modernization Program.

Electrical Transport Ability of Nanostructured Potassium-Doped Titanium Oxide Film

NASA Astrophysics Data System (ADS)

Lee, So-Yoon; Matsuno, Ryosuke; Ishihara, Kazuhiko; Takai, Madoka

2011-02-01

Potassium-doped nanostructured titanium oxide films were fabricated using a wet corrosion process with various KOH solutions. The doped condition of potassium in TiO2 was confirmed by Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Nanotubular were synthesized at a dopant concentration of <0.27% when the dopant concentration increased to >0.27%, these structures disappeared. To investigate the electrical properties of K-doped TiO2, pseudo metal-oxide-semiconductor field-effect transistor (MOSFET) samples were fabricated. The samples exhibited a distinct electrical behavior and p-type characteristics. The electrical behavior was governed by the volume of the dopant when the dopant concentration was <0.10% and the volume of the TiO2 phase when the dopant concentration was >0.18%.

Incorporation of dopant impurities into a silicon oxynitride matrix containing silicon nanocrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ehrhardt, Fabien; Muller, Dominique; Slaoui, Abdelilah, E-mail: abdelilah.slaoui@unistra.fr

2016-05-07

Dopant impurities, such as gallium (Ga), indium (In), and phosphorus (P), were incorporated into silicon-rich silicon oxynitride (SRSON) thin films by the ion implantation technique. To form silicon nanoparticles, the implanted layers were thermally annealed at temperatures up to 1100 °C for 60 min. This thermal treatment generates a phase separation of the silicon nanoparticles from the SRSON matrix in the presence of the dopant atoms. We report on the position of the dopant species within the host matrix and relative to the silicon nanoparticles, as well as on the effect of the dopants on the crystalline structure and the size ofmore » the Si nanoparticles. The energy-filtered transmission electron microscopy technique is thoroughly used to identify the chemical species. The distribution of the dopant elements within the SRSON compound is determined using Rutherford backscattering spectroscopy. Energy dispersive X-ray mapping coupled with spectral imaging of silicon plasmons was performed to spatially localize at the nanoscale the dopant impurities and the silicon nanoparticles in the SRSON films. Three different behaviors were observed according to the implanted dopant type (Ga, In, or P). The In-doped SRSON layers clearly showed separated nanoparticles based on indium, InOx, or silicon. In contrast, in the P-doped SRSON layers, Si and P are completely miscible. A high concentration of P atoms was found within the Si nanoparticles. Lastly, in Ga-doped SRSON the Ga atoms formed large nanoparticles close to the SRSON surface, while the Si nanoparticles were localized in the bulk of the SRSON layer. In this work, we shed light on the mechanisms responsible for these three different behaviors.« less

The effects of layering in ferroelectric Si-doped HfO{sub 2} thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lomenzo, Patrick D.; Nishida, Toshikazu, E-mail: nishida@ufl.edu; Takmeel, Qanit

2014-08-18

Atomic layer deposited Si-doped HfO{sub 2} thin films approximately 10 nm thick are deposited with various Si-dopant concentrations and distributions. The ferroelectric behavior of the HfO{sub 2} thin films are shown to be dependent on both the Si mol. % and the distribution of Si-dopants. Metal-ferroelectric-insulator-semiconductor capacitors are shown to exhibit a tunable remanent polarization through the adjustment of the Si-dopant distribution at a constant Si concentration. Inhomogeneous layering of Si-dopants within the thin films effectively lowers the remanent polarization. A pinched hysteresis loop is observed for higher Si-dopant concentrations and found to be dependent on the Si layering distribution.

Method for implantation of high dopant concentrations in wide band gap materials

DOEpatents

Usov, Igor [Los Alamos, NM; Arendt, Paul N [Los Alamos, NM

2009-09-15

A method that combines alternate low/medium ion dose implantation with rapid thermal annealing at relatively low temperatures. At least one dopant is implanted in one of a single crystal and an epitaxial film of the wide band gap compound by a plurality of implantation cycles. The number of implantation cycles is sufficient to implant a predetermined concentration of the dopant in one of the single crystal and the epitaxial film. Each of the implantation cycles includes the steps of: implanting a portion of the predetermined concentration of the one dopant in one of the single crystal and the epitaxial film; annealing one of the single crystal and the epitaxial film and implanted portion at a predetermined temperature for a predetermined time to repair damage to one of the single crystal and the epitaxial film caused by implantation and activates the implanted dopant; and cooling the annealed single crystal and implanted portion to a temperature of less than about 100.degree. C. This combination produces high concentrations of dopants, while minimizing the defect concentration.

Arrangement, Dopant Source, And Method For Making Solar Cells

DOEpatents

Rohatgi, Ajeet; Krygowski, Thomas W.

1999-10-26

Disclosed is an arrangement, dopant source and method used in the fabrication of photocells that minimize handling of cell wafers and involve a single furnace step. First, dopant sources are created by depositing selected dopants onto both surfaces of source wafers. The concentration of dopant that is placed on the surface is relatively low so that the sources are starved sources. These sources are stacked with photocell wafers in alternating orientation in a furnace. Next, the temperature is raised and thermal diffusion takes place whereby the dopant leaves the source wafers and becomes diffused in a cell wafer creating the junctions necessary for photocells to operate. The concentration of dopant diffused into a single side of the cell wafer is proportional to the concentration placed on the respective dopant source facing the side of the cell wafer. Then, in the same thermal cycle, a layer of oxide is created by introducing oxygen into the furnace environment after sufficient diffusion has taken place. Finally, the cell wafers receive an anti-reflective coating and electrical contacts for the purpose of gathering electrical charge.

Intrinsic and extrinsic doping of ZnO and ZnO alloys

NASA Astrophysics Data System (ADS)

Ellmer, Klaus; Bikowski, André

2016-10-01

In this article the doping of the oxidic compound semiconductor ZnO is reviewed with special emphasis on n-type doping. ZnO naturally exhibits n-type conductivity, which is used in the application of highly doped n-type ZnO as a transparent electrode, for instance in thin film solar cells. For prospective application of ZnO in other electronic devices (LEDs, UV photodetectors or power devices) p-type doping is required, which has been reported only minimally. Highly n-type doped ZnO can be prepared by doping with the group IIIB elements B, Al, Ga, and In, which act as shallow donors according to the simple hydrogen-like substitutional donor model of Bethe (1942 Theory of the Boundary Layer of Crystal Rectifiers (Boston, MA: MIT Rad Lab.)). Group IIIA elements (Sc, Y, La etc) are also known to act as shallow donors in ZnO, similarly explainable by the shallow donor model of Bethe. Some reports showed that even group IVA (Ti, Zr, Hf) and IVB (Si, Ge) elements can be used to prepare highly doped ZnO films—which, however, can no longer be explained by the simple hydrogen-like substitutional donor model. More probably, these elements form defect complexes that act as shallow donors in ZnO. On the other hand, group V elements on oxygen lattice sites (N, P, As, and Sb), which were viewed for a long time as typical shallow acceptors, behave instead as deep acceptors, preventing high hole concentrations in ZnO at room temperature. Also, ‘self’-compensation, i.e. the formation of a large number of intrinsic donors at high acceptor concentrations seems to counteract the p-type doping of ZnO. At donor concentrations above about 1020 cm-3, the electrical activation of the dopant elements is often less than 100%, especially in polycrystalline thin films. Reasons for the electrical deactivation of the dopant atoms are (i) the formation of dopant-defect complexes, (ii) the compensation of the electrons by acceptors (Oi, VZn) or (iii) the formation of secondary phases, for instance Al2O3, Ga2O3 etc. The strong influence of the different deposition methods and annealing conditions on the doping of ZnO is discussed. This review shows that, though it is one of the best-investigated oxide compound semiconductors over many decades, understanding of the details of the doping properties and mechanisms of zinc oxide is still in its infancy. Based on this review, prospective research opportunities are devised.

Semiconductive materials and associated uses thereof

DOEpatents

Lynn, Kelvin [Pullman, WA; Jones, Kelly [Colfax, WA; Ciampi, Guido [Waltham, MA

2011-11-01

High rate radiation detectors are disclosed herein. The detectors include a detector material disposed inside the container, the detector material containing cadmium, tellurium, and zinc, a first dopant containing at least one of aluminum, chlorine, and indium, and a second dopant containing a rare earth metal. The first dopant has a concentration of about 500 to about 20,000 atomic parts per billion, and the second dopant has a concentration of about 200 to about 20,000 atomic parts per billion.

Semiconductive materials and associated uses thereof

DOEpatents

Lynn, Kelvin; Jones, Kelly; Ciampi, Guido

2012-10-09

High rate radiation detectors are disclosed herein. The detectors include a detector material disposed inside the container, the detector material containing cadmium, tellurium, and zinc, a first dopant containing at least one of aluminum, chlorine, and indium, and a second dopant containing a rare earth metal. The first dopant has a concentration of about 500 to about 20,000 atomic parts per billion, and the second dopant has a concentration of about 200 to about 20,000 atomic parts per billion.

Optimizing the Dopant and Carrier Concentration of Ca5Al2Sb6 for High Thermoelectric Efficiency

PubMed Central

Yan, Yuli; Zhang, Guangbiao; Wang, Chao; Peng, Chengxiao; Zhang, Peihong; Wang, Yuanxu; Ren, Wei

2016-01-01

The effects of doping on the transport properties of Ca5Al2Sb6 are investigated using first-principles electronic structure methods and Boltzmann transport theory. The calculated results show that a maximum ZT value of 1.45 is achieved with an optimum carrier concentration at 1000 K. However, experimental studies have shown that the maximum ZT value is no more than 1 at 1000 K. By comparing the calculated Seebeck coefficient with experimental values, we find that the low dopant solubility in this material is not conductive to achieve the optimum carrier concentration, leading a smaller experimental value of the maximum ZT. Interestingly, the calculated dopant formation energies suggest that optimum carrier concentrations can be achieved when the dopants and Sb atoms have similar electronic configurations. Therefore, it might be possible to achieve a maximum ZT value of 1.45 at 1000 K with suitable dopants. These results provide a valuable theoretical guidance for the synthesis of high-performance bulk thermoelectric materials through dopants optimization. PMID:27406178

Blue phase liquid crystal phase transition for cyano compound chiral nematic liquid crystal mixtures with three two-ring core structures and chiral dopant concentrations

NASA Astrophysics Data System (ADS)

Shin, Jaesun; Kim, Beomjong; Jung, Wansu; Fahad, Mateen; Park, SangJin; Hong, Sung-Kyu

2017-05-01

Blue phase (BP) temperature range of a chiral nematic liquid crystal (LC) mixture is dependent upon the host nematic LC chemical structure and chiral dopant concentration. In this study, we investigated BP phase transition behaviour and helical twisting power (HTP) using three chiral dopant concentrations of cyano compound chiral nematic LC mixtures incorporating three two-ring core structures in the host nematic LCs. The effect of the host nematic LC core structure, HTP and chiral dopant concentrations were considered on BP temperature ranges, for two types of complete BPI and BPII without isotropic phase (Iso) and two types of coexistence state of BPI+Iso and BPII+Iso.

Variation of thermophysical parameters of PCM CaCl2.6H2O with dopant from T-history data analysis

NASA Astrophysics Data System (ADS)

Sutjahja, I. M.; Silalahi, Alfriska O.; Sukmawati, Nissa; Kurnia, D.; Wonorahardjo, S.

2018-03-01

T-history is a powerful method for deriving the thermophysical parameters of a phase change material (PCM), which consists of solid and liquid specific heats as well as latent heat enthalpy. The performance of a PCM for thermal energy storage could be altered by chemical dopants added directly to the PCM in order to form a stable suspension. We described in this paper the role of chemical dopants in the variation of thermophysical parameters for CaCl2 · 6H2O inorganic PCM with 1 wt% and 2 wt% dopant concentration and BaSO4 (1 wt%) as a nucleator using the T-history method. The dopant consists graphite and CuO nanoparticles. The data analysis follows the original method proposed by (Zhang et al 1999 Meas. Sci. Technol. 10 201–205) and its modification by (Hong et al 2004 Int. J. Refrig. 27 360–366). In addition, the enthalpy-temperature curve is obtained by adopting a method proposed by (Marín et al 2003 Meas. Sci. Technol. 14 184–189). We found that the solid specific heat tends to increase non-linearly with increased dopant concentration for all dopants. The increased liquid specific heat, however, indicates the optimum value for 1 wt% graphite dopant. In contrast, the CuO dopant shows a smaller increase in dopant concentration. The specific heat data are analyzed based on the interacting mesolayer model for a nanofluid. The heat of fusion show strong variation with dopant type, in agreement with other experimental data for various PCMs and dopant particles.

Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity

NASA Astrophysics Data System (ADS)

Staller, Corey M.; Robinson, Zachary L.; Agrawal, Ankit; Gibbs, Stephen L.; Greenberg, Benjamin L.; Lounis, Sebastien D.; Kortshagen, Uwe R.; Milliron, Delia J.

2018-05-01

Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data shows electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and, in agreement with variable temperature conductivity fits, find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

Tuning Nanocrystal Surface Depletion by Controlling Dopant Distribution as a Route Toward Enhanced Film Conductivity.

PubMed

Staller, Corey M; Robinson, Zachary L; Agrawal, Ankit; Gibbs, Stephen L; Greenberg, Benjamin L; Lounis, Sebastien D; Kortshagen, Uwe R; Milliron, Delia J

2018-05-09

Electron conduction through bare metal oxide nanocrystal (NC) films is hindered by surface depletion regions resulting from the presence of surface states. We control the radial dopant distribution in tin-doped indium oxide (ITO) NCs as a means to manipulate the NC depletion width. We find in films of ITO NCs of equal overall dopant concentration that those with dopant-enriched surfaces show decreased depletion width and increased conductivity. Variable temperature conductivity data show electron localization length increases and associated depletion width decreases monotonically with increased density of dopants near the NC surface. We calculate band profiles for NCs of differing radial dopant distributions and in agreement with variable temperature conductivity fits find NCs with dopant-enriched surfaces have narrower depletion widths and longer localization lengths than those with dopant-enriched cores. Following amelioration of NC surface depletion by atomic layer deposition of alumina, all films of equal overall dopant concentration have similar conductivity. Variable temperature conductivity measurements on alumina-capped films indicate all films behave as granular metals. Herein, we conclude that dopant-enriched surfaces decrease the near-surface depletion region, which directly increases the electron localization length and conductivity of NC films.

Structural and dielectric studies of Zr and Co co-substituted Ni0.5Zn0.5Fe2O4 using sol-gel auto combustion method

NASA Astrophysics Data System (ADS)

Jalaiah, K.; Vijaya Babu, K.; Rajashekhar Babu, K.; Chandra Mouli, K.

2018-06-01

Zr and Co substituted Ni0.5Zn0.5 ZrxCuxFe2-2xO4 with x values varies from the 0.0 to 0.4 in steps of 0.08 wt% ferrites synthesized by using sol-gel auto combustion method. The XRD patterns give evidence for formation of the single phase cubic spinel. The lattice constant was initially decreased from 8.3995 Å to 8.3941 Å with dopant concentration for x = 0.00-0.08 thereafter the lattice parameter steeply increased up to 8.4129 Å fox x = 0.4 with increasing dopant concentration. The estimated crystallite size and measured particle sizes are in comparable nano size. The grain size initially increased 2.3137-3.0430 μm, later it decreased to 2.2952 μm with increasing dopant concentration. The prepared samples porosity shows the opposite trend to grain size. The FT-IR spectrum for prepared samples shows the Fd3m (O7h). The wavenumber for tetrahedral site increased from 579 cm-1 to 593 cm-1 with increasing dopant concentration and the wavenumber of octahedral site are initially decreased from 414 cm-1 to 400 cm-1 for x = 0.00 to x = 0.08 later increased to 422 cm-1 with increasing dopant concentration. The dielectric constant increased from 8.85 to 34.5127 with dopant increasing concentration. The corresponding loss factor was fallows the similar trend as dielectric constant. The AC conductivity increased with increasing dopant concentration from 3.0261 × 10-7 S/m to 4.4169 × 10-6 S/m.

Thermal equilibrium concentration of intrinsic point defects in heavily doped silicon crystals - Theoretical study of formation energy and formation entropy in area of influence of dopant atoms-

NASA Astrophysics Data System (ADS)

Kobayashi, K.; Yamaoka, S.; Sueoka, K.; Vanhellemont, J.

2017-09-01

It is well known that p-type, neutral and n-type dopants affect the intrinsic point defect (vacancy V and self-interstitial I) behavior in single crystal Si. By the interaction with V and/or I, (1) growing Si crystals become more V- or I-rich, (2) oxygen precipitation is enhanced or retarded, and (3) dopant diffusion is enhanced or retarded, depending on the type and concentration of dopant atoms. Since these interactions affect a wide range of Si properties ranging from as-grown crystal quality to LSI performance, numerical simulations are used to predict and to control the behavior of both dopant atoms and intrinsic point defects. In most cases, the thermal equilibrium concentrations of dopant-point defect pairs are evaluated using the mass action law by taking only the binding energy of closest pair to each other into account. The impacts of dopant atoms on the formation of V and I more distant than 1st neighbor and on the change of formation entropy are usually neglected. In this study, we have evaluated the thermal equilibrium concentrations of intrinsic point defects in heavily doped Si crystals. Density functional theory (DFT) calculations were performed to obtain the formation energy (Ef) of the uncharged V and I at all sites in a 64-atom supercell around a substitutional p-type (B, Ga, In, and Tl), neutral (C, Ge, and Sn) and n-type (P, As, and Sb) dopant atom. The formation (vibration) entropies (Sf) of free I, V and I, V at 1st neighboring site from B, C, Sn, P and As atoms were also calculated with the linear response method. The dependences of the thermal equilibrium concentrations of trapped and total intrinsic point defects (sum of free I or V and I or V trapped with dopant atoms) on the concentrations of B, C, Sn, P and As in Si were obtained. Furthermore, the present evaluations well explain the experimental results of the so-called ;Voronkov criterion; in B and C doped Si, and also the observed dopant dependent void sizes in P and As doped Si crystals. The expressions obtained in the present work are very useful for the numerical simulation of grown-in defect behavior, oxygen precipitation and dopant diffusion in heavily doped Si. DFT calculations also showed that Coulomb interaction reaches approximately 30 Å from p (n)-type dopant atoms to I (V) in Si.

Method of dispersing particulate aerosol tracer

DOEpatents

O'Holleran, Thomas P.

1988-01-01

A particulate aerosol tracer which comprises a particulate carrier of sheet silicate composition having a particle size up to one micron, and a cationic dopant chemically absorbed in solid solution in the carrier. The carrier is preferably selected from the group consisting of natural mineral clays such as bentonite, and the dopant is selected from the group consisting of rare earth elements and transition elements. The tracers are dispersed by forming an aqueous salt solution with the dopant present as cations, dispersing the carriers in the solution, and then atomizing the solution under heat sufficient to superheat the solution droplets at a level sufficient to prevent reagglomeration of the carrier particles.

Effect of dopants on the TL response of the new LiF:Mg,Cu,Ag material

NASA Astrophysics Data System (ADS)

Yahyaabadi, A.; Torkzadeh, F.; Rezaei-Ochbelagh, D.; Hosseini Pooya, M.

2018-07-01

The new TL LiF:Mg,Cu,Ag material was prepared and investigated in this study. The TL intensity of LiF:Mg,Cu,Ag is strongly dependent on the concentration of dopants and the preparation procedure. Any small change in these factors can cause alterations in TL response. In this study, the influence of Cu and Ag concentrations on the response of the LiF:Mg,Cu,Ag sample was investigated and showed that the height of the low, main and high temperature peaks changes with Ag concentration. Their intensities increased with increasing Ag concentration to a maximum value and decreased with higher Ag concentration. It was also found that Cu concentration less than 0.05 mol% influences the maximum peak height and TL intensity. The optimum Cu and Ag concentrations were found to be 0.05 and 0.1 mol% at 1005 °C QT, respectively. The role of dopants in LiF:Mg,Cu,Ag material was also investigated. The results showed that presence of three dopants is important for having material with sensitivity higher than LiF:Mg,Ti. The Mg dopant plays a crucial role in the formation of the trapping center and the position of the main dosimetric peak.

Pulse-shape discrimination and energy resolution of a liquid-argon scintillator with xenon doping

NASA Astrophysics Data System (ADS)

Wahl, C. G.; Bernard, E. P.; Lippincott, W. H.; Nikkel, J. A.; Shin, Y.; McKinsey, D. N.

2014-06-01

Liquid-argon scintillation detectors are used in fundamental physics experiments and are being considered for security applications. Previous studies have suggested that the addition of small amounts of xenon dopant improves performance in light or signal yield, energy resolution, and particle discrimination. In this study, we investigate the detector response for xenon dopant concentrations from 9 ± 5 ppm to 1100 ± 500 ppm xenon (by weight) in 6 steps. The 3.14-liter detector uses tetraphenyl butadiene (TPB) wavelength shifter with dual photomultiplier tubes and is operated in single-phase mode. Gamma-ray-interaction signal yield of 4.0 ± 0.1 photoelectrons/keV improved to 5.0 ± 0.1 photoelectrons/keV with dopant. Energy resolution at 662 keV improved from (4.4 ± 0.2)% (σ) to (3.5 ± 0.2)% (σ) with dopant. Pulse-shape discrimination performance degraded greatly at the first addition of dopant, slightly improved with additional additions, then rapidly improved near the end of our dopant range, with performance becoming slightly better than pure argon at the highest tested dopant concentration. Some evidence of reduced neutron scintillation efficiency with increasing dopant concentration was observed. Finally, the waveform shape outside the TPB region is discussed, suggesting that the contribution to the waveform from xenon-produced light is primarily in the last portion of the slow component.

Femtosecond-laser hyperdoping silicon in an SF{sub 6} atmosphere: Dopant incorporation mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sher, Meng-Ju, E-mail: msher@stanford.edu; Mangan, Niall M.; Lin, Yu-Ting

2015-03-28

In this paper, we examine the fundamental processes that occur during femtosecond-laser hyperdoping of silicon with a gas-phase dopant precursor. We probe the dopant concentration profile as a function of the number of laser pulses and pressure of the dopant precursor (sulfur hexafluoride). In contrast to previous studies, we show the hyperdoped layer is single crystalline. From the dose dependence on pressure, we conclude that surface adsorbed molecules are the dominant source of the dopant atoms. Using numerical simulation, we estimate the change in flux with increasing number of laser pulses to fit the concentration profiles. We hypothesize that themore » native oxide plays an important role in setting the surface boundary condition. As a result of the removal of the native oxide by successive laser pulses, dopant incorporation is more efficient during the later stage of laser irradiation.« less

Dual doped monolayer and bilayer graphene: The case of 4p and 2p elements

NASA Astrophysics Data System (ADS)

Denis, Pablo A.; Iribarne, Federico

2016-08-01

4p/2p dual-doped monolayer and bilayer graphene were studied via first principle calculations. Generally, dopants prefer to be agglomerated. A second dopant significantly reduces formation energies. Thus, partially reduced graphene oxide would favor substitutional doping by facilitating the introduction of the 4p dopants. Dual-doping can tune the band gap from 0.1 to 0.8 eV. For bilayer graphene, large atomic radii elements (Gallium and Germanium) form interlayer bonds with the undoped sheet. For some dual-doped graphenes, interlayer GaC and GeC bonds were formed, increasing the chemical reactivity of the undoped layer and affecting its electronic structure, with metallic or semiconducting characters observed.

Radiation Effects on Ytterbium-doped Optical Fibers

DTIC Science & Technology

2014-06-02

Erbium (Er3+) has long been the most prevalent RE dopant because of erbium’s ability to amplify signals at common communications wavelengths (1330 and...composition of the core and cladding along with dopants (intentional or inadvertent) (Friebele, 1992), preform production and fiber drawing process...inclusion of other elemental dopants along with the RE-ions in order to stabilize the RE-ions and prevent them from clustering, which can degrade

On krypton-doped capsule implosion experiments at the National Ignition Facility

NASA Astrophysics Data System (ADS)

Chen, Hui; Ma, T.; Nora, R.; Barrios, M. A.; Scott, H. A.; Schneider, M. B.; Berzak Hopkins, L.; Casey, D. T.; Hammel, B. A.; Jarrott, L. C.; Landen, O. L.; Patel, P. K.; Rosenberg, M. J.; Spears, B. K.

2017-07-01

This paper presents the spectroscopic aspects of using Krypton as a dopant in NIF capsule implosions through simulation studies and the first set of NIF experiments. Using a combination of 2D hohlraum and 1D capsule simulations with comprehensive spectroscopic modeling, the calculations focused on the effect of dopant concentration on the implosion, and the impact of gradients in the electron density and temperature to the Kr line features and plasma opacity. Experimental data were obtained from three NIF Kr-dopant experiments, performed with varying Kr dopant concentrations between 0.01% and 0.03%. The implosion performance, hotspot images, and detailed Kr spectral analysis are summarized relative to the predictions. Data show that fuel-dopant spectroscopy can serve as a powerful and viable diagnostic for inertial confinement fusion implosions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gayner, Chhatrasal; Kar, Kamal K., E-mail: kamalkk@iitk.ac.in; Department of Mechanical Engineering, Advanced Nanoengineering Materials Laboratory, Indian Institute of Technology Kanpur, Kanpur 208016

Polycrystalline lead selenide (PbSe) doped with copper (Cu) and nickel (Ni) was prepared to understand its magnetic behaviour and Raman activity. The processing conditions, influence of dopants (magnetically active and non-active) and their respective compositions on the magnetic properties and Raman active mode were studied. A surprising/anomalous room temperature ferromagnetism (hysteresis loop) is noticed in bulk diamagnetic PbSe, which is found to be natural or inherent characteristic of material, and depends on the crystallite size, dopant, and developed strain due to dopant/defects. The magnetic susceptibility (−1.71 × 10{sup −4} emu/mol Oe) and saturated magnetic susceptibility (−2.74 × 10{sup −4} emu/mol Oe) are found tomore » be higher than the earlier reported value (diamagnetic: −1.0 × 10{sup −4} emu/mol Oe) in bulk PbSe. With increase of Cu concentration (2% to 10%) in PbSe, the saturated magnetic susceptibility decreases from −1.22 × 10{sup −4} to −0.85 × 10{sup −4} emu/mol Oe. Whereas for Ni dopant, the saturated magnetic susceptibility increases to −2.96 × 10{sup −4} emu/mol Oe at 2% Ni doped PbSe. But it further decreases with dopant concentration. In these doped PbSe, the shifting of longitudinal (LO) phonon mode was also studied by the Raman spectroscopy. The shifting of LO mode is found to be dopant dependent, and the frequency shift of LO mode is associated with the induced strain that created by the dopants and vacancies. This asymmetry in LO phonon mode (peak shift and shape) may be due to the intraband electronic transition of dopants. The variation in magnetic susceptibility and Raman shifts are sensitive to crystallite size, nature of dopant, concentration of dopants, and induced strain due to dopants.« less

High quality transparent conducting oxide thin films

DOEpatents

Gessert, Timothy A.; Duenow, Joel N.; Barnes, Teresa; Coutts, Timothy J.

2012-08-28

A transparent conducting oxide (TCO) film comprising: a TCO layer, and dopants selected from the elements consisting of Vanadium, Molybdenum, Tantalum, Niobium, Antimony, Titanium, Zirconium, and Hafnium, wherein the elements are n-type dopants; and wherein the transparent conducting oxide is characterized by an improved electron mobility of about 42 cm.sup.2/V-sec while simultaneously maintaining a high carrier density of .about.4.4e.times.10.sup.20 cm.sup.-3.

Conductivity of gel polymer electrolytes doped with solutions of phosphonic acid or protic ionic liquids

NASA Astrophysics Data System (ADS)

Shmukler, Liudmila E.; Fadeeva, Yuliya A.; Glushenkova, Ekaterina V.; Nguyen, Van Thuc; Safonova, Liubov P.

2018-04-01

The proton-conducting gel electrolytes (PCGEs) based on PMMA, PVdF or PVdF-HFP doped with solutions of phosphonic acid or ammonium based protic ionic liquids (PILs) in DMF have been synthesized. Rather high values of the conductivity (10-4-10-3 S cm-1) have been reached at low dopant concentrations (up to 1 mol l-1). The influence of the nature of both polymeric matrix and dopant as well as dopant concentration on the conductivity values was discussed. It was established that the dependence of conductivity on the nature of dopant, but not the polymeric matrix, was more pronounced.

Defect phase diagram for doping of Ga2O3

NASA Astrophysics Data System (ADS)

Lany, Stephan

2018-04-01

For the case of n-type doping of β-Ga2O3 by group 14 dopants (C, Si, Ge, Sn), a defect phase diagram is constructed from defect equilibria calculated over a range of temperatures (T), O partial pressures (pO2), and dopant concentrations. The underlying defect levels and formation energies are determined from first-principles supercell calculations with GW bandgap corrections. Only Si is found to be a truly shallow donor, C is a deep DX-like (lattice relaxed donor) center, and Ge and Sn have defect levels close to the conduction band minimum. The thermodynamic modeling includes the effect of association of dopant-defect pairs and complexes, which causes the net doping to decline when exceeding a certain optimal dopant concentration. The optimal doping levels are surprisingly low, between about 0.01% and 1% of cation substitution, depending on the (T, pO2) conditions. Considering further the stability constraints due to sublimation of molecular Ga2O, specific predictions of optimized pO2 and Si dopant concentrations are given. The incomplete passivation of dopant-defect complexes in β-Ga2O3 suggests a design rule for metastable doping above the solubility limit.

Dopant incorporation in Al0.9Ga0.1As0.06Sb0.94 grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Patra, Saroj Kumar; Tran, Thanh-Nam; Vines, Lasse; Kolevatov, Ilia; Monakhov, Edouard; Fimland, Bjørn-Ove

2017-04-01

Incorporation of beryllium (Be) and tellurium (Te) dopants in epitaxially grown Al0.9Ga0.1As0.06Sb0.94 layers was investigated. Carrier concentrations and mobilities of the doped layers were obtained from room temperature Hall effect measurements, and dopant densities from secondary ion mass spectrometry depth profiling. An undoped Al0.3Ga0.7As cap layer and side wall passivation were used to reduce oxidation and improve accuracy in Hall effect measurements. The measurements on Be-doped samples revealed high doping efficiency and the carrier concentration varied linearly with dopant density up to the highest Be dopant density of 2.9 × 1019 cm-3, whereas for Te doped samples the doping efficiency was in general low and the carrier concentration saturated for Te-dopant densities above 8.0 × 1018 cm-3. The low doping efficiency in Te-doped Al0.9Ga0.1As0.06Sb0.94 layer was studied by deep-level transient spectroscopy, revealing existence of deep trap levels and related DX-centers which explains the low doping efficiency.

Study of Sn and Mg doping effects on TiO2/Ge stack structure by combinatorial synthesis

NASA Astrophysics Data System (ADS)

Nagata, Takahiro; Suzuki, Yoshihisa; Yamashita, Yoshiyuki; Ogura, Atsushi; Chikyow, Toyohiro

2018-04-01

The effects of Sn and Mg doping of a TiO2 film on a Ge substrate were investigated to improve leakage current properties and Ge diffusion into the TiO2 film. For systematic analysis, dopant-composition-spread TiO2 samples with dopant concentrations of up to 20.0 at. % were fabricated by RF sputtering and a combinatorial method. X-ray photoelectron spectroscopy revealed that the instability of Mg doping of TiO2 at dopant concentrations above 10.5 at. %. Both Sn and Mg dopants reduced Ge diffusion into TiO2. Sn doping enhanced the crystallization of the rutile phase, which is a high-dielectric-constant phase, although the Mg-doped TiO2 film indicated an amorphous structure. Sn-doping indicated systematic leakage current reduction with increasing dopant concentration. Doping at Sn concentrations higher than 16.8 at. % improved the leakage properties (˜10-7 A/cm2 at -3.0 V) and capacitance-voltage properties of metal-insulator-semiconductor (MIS) operation. The Sn doping of TiO2 may be useful for interface control and as a dielectric material for Ge-based MIS capacitors.

In situ simultaneous strain and temperature measurement of adaptive composite materials using a fiber Bragg grating based sensor

NASA Astrophysics Data System (ADS)

Yoon, Hyuk-Jin; Costantini, Daniele M.; Michaud, Veronique; Limberger, Hans G.; Manson, Jan-Anders; Salathe, Rene P.; Kim, Chun-Gon; Hong, Chang-Sun

2005-05-01

An optical fiber sensor to simultaneously measure strain and temperature was designed and embedded into an adaptive composite laminate which exhibits a shape change upon thermal activation. The sensor is formed by two fiber Bragg gratings, which are written in optical fibers with different core dopants. The two gratings were spliced close to each other and a sensing element resulted with Bragg gratings of similar strain sensitivity but different response to temperature. This is due to the dependence of the fiber thermo-optic coefficient on core dopants and relative concentrations. The sensor was tested on an adaptive composite laminate made of unidirectional Kevlar-epoxy pre-preg plies. Several 150μm diameter pre-strained NiTiCu shape memory alloy wires were embedded in the composite laminate together with one fiber sensor. Simultaneous monitoring of strain and temperature during the curing process and activation in an oven was demonstrated.

Challenges Facing ZnO and GaN: Facts and Myths. Held in Glen Allen, Virginia on 18-19 October 2007

DTIC Science & Technology

2007-10-01

115 4 VIII.4.3.1. Improving dopant solubility........................................................... 115 VIII.4.3.2. Designing shallow defect...possible (e.g., ZnMgO grown at AFRL-Hanscom). intentional doping •Boron and aluminum only suspected n-type dopants detected (red) •Nitrogen...and sodium as only possible p-type dopants detected (blue) •The major impurity consistently present is silicon (from the quartz ampoule) •Elements

Effect of oxide films on hydrogen permeability of candidate Stirling heater head tube alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schuon, S R; Misencik, J A

1981-01-01

High pressure hydrogen has been selected as the working fluid for the developmental automotive Stirling engine. Containment of the working fluid during operation of the engine at high temperatures and at high hydrogen gas pressures is essential for the acceptance of the Stirling engine as an alternative to the internal combustion engine. Most commercial alloys are extremely permeable to pure hydrogen at high temperatures. A program was undertaken at NASA Lewis Research Center (LeRC) to reduce hydrogen permeability in the Stirling engine heater head tubes by doping the hydrogen working fluid with CO or CO/sub 2/. Small additions of thesemore » gases were shown to form an oxide on the inside tube wall and thus reduce hydrogen permeability. A study of the effects of dopant concentration, alloy composition, and effects of surface oxides on hydrogen permeability in candidate heater head tube alloys is summarized. Results showed that hydrogen permeability was similar for iron-base alloys (N-155, A286, IN800, 19-9DL, and Nitronic 40), cobalt-base alloys (HS-188) and nickel-base alloys (IN718). In general, the permeability of the alloys decreased with increasing concentration of CO or CO/sub 2/ dopant, with increasing oxide thickness, and decreasing oxide porosity. At high levels of dopants, highly permeable liquid oxides formed on those alloys with greater than 50% Fe content. Furthermore, highly reactive minor alloying elements (Ti, Al, Nb, and La) had a strong influence on reducing hydrogen permeability.« less

The thermoluminescence response of doped SiO2 optical fibres subjected to photon and electron irradiations.

PubMed

Hashim, S; Al-Ahbabi, S; Bradley, D A; Webb, M; Jeynes, C; Ramli, A T; Wagiran, H

2009-03-01

Modern linear accelerators, the predominant teletherapy machine in major radiotherapy centres worldwide, provide multiple electron and photon beam energies. To obtain reasonable treatment times, intense electron beam currents are achievable. In association with this capability, there is considerable demand to validate patient dose using systems of dosimetry offering characteristics that include good spatial resolution, high precision and accuracy. Present interest is in the thermoluminescence response and dosimetric utility of commercially available doped optical fibres. The important parameter for obtaining the highest TL yield during this study is to know the dopant concentration of the SiO2 fibre because during the production of the optical fibres, the dopants tend to diffuse. To achieve this aim, proton-induced X-ray emission (PIXE), which has no depth resolution but can unambiguously identify elements and analyse for trace elements with detection limits approaching microg/g, was used. For Al-doped fibres, the dopant concentration in the range 0.98-2.93 mol% have been estimated, with equivalent range for Ge-doped fibres being 0.53-0.71 mol%. In making central-axis irradiation measurements a solid water phantom was used. For 6-MV photons and electron energies in the range 6, 9 and 12 MeV, a source to surface distance of 100 cm was used, with a dose rate of 400 cGy/min for photons and electrons. The TL measurements show a linear dose-response over the delivered range of absorbed dose from 1 to 4 Gy. Fading was found to be minimal, less than 10% over five days subsequent to irradiation. The minimum detectable dose for 6-MV photons was found to be 4, 30 and 900 microGy for TLD-100 chips, Ge- and Al-doped fibres, respectively. For 6-, 9- and 12-MeV electron energies, the minimum detectable dose were in the range 3-5, 30-50 and 800-1400 microGy for TLD-100 chip, Ge-doped and Al-doped fibres, respectively.

ACCEPTOR DOPANTS FOR LEAD TELLURIDE

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCaldin, J.O.

1961-12-01

Alternative P-type dopants such as, Th, P, and As were studied. Ingots were grown from a melt containing one at.% dopant and their electrical properties evaluated. Also, sintered pellets of PbTe were doped by exposure at high temperature to gaseous dopants. In most cases, the doping concentrations obtained were insufficient for SNAP 10A requirements. In the case of As, however, doping of Te-rich PbTe, the desired heavy doping was obtained. These preliminary studies suggest that dopants other than Na might be suitable for SNAP 10A requirements. (auth)

Defect phase diagram for doping of Ga 2O 3

DOE PAGES

Lany, Stephan

2018-04-01

For the case of n-type doping of β-Ga 2O 3 by group 14 dopants (C, Si, Ge, Sn), a defect phase diagram is constructed from defect equilibria calculated over a range of temperatures (T), O partial pressures (pO 2), and dopant concentrations. The underlying defect levels and formation energies are determined from first-principles supercell calculations with GW bandgap corrections. Only Si is found to be a truly shallow donor, C is a deep DX-like (lattice relaxed donor) center, and Ge and Sn have defect levels close to the conduction band minimum. The thermodynamic modeling includes the effect of association ofmore » dopant-defect pairs and complexes, which causes the net doping to decline when exceeding a certain optimal dopant concentration. The optimal doping levels are surprisingly low, between about 0.01% and 1% of cation substitution, depending on the (T, pO 2) conditions. Considering further the stability constraints due to sublimation of molecular Ga 2O, specific predictions of optimized pO 2 and Si dopant concentrations are given. To conclude, the incomplete passivation of dopant-defect complexes in β-Ga 2O 3 suggests a design rule for metastable doping above the solubility limit.« less

Defect phase diagram for doping of Ga 2O 3

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lany, Stephan

For the case of n-type doping of β-Ga 2O 3 by group 14 dopants (C, Si, Ge, Sn), a defect phase diagram is constructed from defect equilibria calculated over a range of temperatures (T), O partial pressures (pO 2), and dopant concentrations. The underlying defect levels and formation energies are determined from first-principles supercell calculations with GW bandgap corrections. Only Si is found to be a truly shallow donor, C is a deep DX-like (lattice relaxed donor) center, and Ge and Sn have defect levels close to the conduction band minimum. The thermodynamic modeling includes the effect of association ofmore » dopant-defect pairs and complexes, which causes the net doping to decline when exceeding a certain optimal dopant concentration. The optimal doping levels are surprisingly low, between about 0.01% and 1% of cation substitution, depending on the (T, pO 2) conditions. Considering further the stability constraints due to sublimation of molecular Ga 2O, specific predictions of optimized pO 2 and Si dopant concentrations are given. To conclude, the incomplete passivation of dopant-defect complexes in β-Ga 2O 3 suggests a design rule for metastable doping above the solubility limit.« less

Spatial luminescence imaging of dopant incorporation in CdTe Films

DOE PAGES

Guthrey, Harvey; Moseley, John; Colegrove, Eric; ...

2017-01-25

State-of-the-art cathodoluminescence (CL) spectrum imaging with spectrum-per-pixel CL emission mapping is applied to spatially profile how dopant elements are incorporated into Cadmium telluride (CdTe). Emission spectra and intensity monitor the spatial distribution of additional charge carriers through characteristic variations in the CL emission based on computational modeling. Our results show that grain boundaries play a role in incorporating dopants in CdTe exposed to copper, phosphorus, and intrinsic point defects in CdTe. Furthermore, the image analysis provides critical, unique feedback to understand dopant incorporation and activation in the inhomogeneous CdTe material, which has struggled to reach high levels of hole density.

Investigation of Hard Boron Rich Solids: Osmium Diboride and β-Rhombohedral Boron

NASA Astrophysics Data System (ADS)

Hebbache, M.; Živković, D.

Recently, we succeeded in synthesizing three osmium borides, i.e., OsB1.1, Os2B3 and OsB2. Up to date, almost nothing is known about the physical properties of these materials. Microhardness measurements show that OsB2 is extremely hard. Ab initio calculations show that it is due to formation of covalent bonds between boron atoms. OsB2 is also a low compressibility material. It can be used for hard coatings. The β-rhombohedral polymorph of boron is the second hardest elemental crystal (H ≈ 33 GPa). It is also very light and a p-type semiconductor. In early 1970s, it has been shown that the doping of boron with 3d transition elements enhances its hardness by about 25%. We predict that, in general, heavily doped samples MBx, with x ≤ 31 or equivalently a dopant concentration larger than 3.2 at.%, should be ultrahard, i.e., H > 43 GPa. The relevant dopants M are Al, Cu, Sc, Mn, Mg and Li. In addition to these properties, boron-rich materials have a very low volatility, a high chemical inertness and high melting point. They are suitable for applications under extreme conditions and thermoelectric equipment.

To study the effect of dopant NiO concentration and duration of calcinations on structural and optical properties of MgO-NiO nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Rajesh, E-mail: rkkaushik06@gmail.com; Deptt. of Physics,Vaish College of Engineering, Rohtak-124001, Haryana; Praveen,

2016-05-06

In present work Magnesium oxide (MgO) samples were doped with different concentration of Transition metal Nickel Oxide(NiO) by using Chemical co-precipitation method. The doping levels were varied from NiO (5%, 10%, 15%) and all the samples were calcined at 600°C for 4hrs and 8hrs respectively. Structural analysis of these calcined materials is carried out by X-ray diffraction (XRD) techniques which reveals that average crystalline sizes are in nano region i.e. 21.77nm-31.13 nm and tabulated in table 1. The powder of calcined samples were also characterized by using various other techniques i.e. Scanning Electron Microscopy (SEM), Fourier Transformation Infrared Spectroscopy (FTIR), UV-Visiblemore » spectroscopy, Transmission Electron Microscopy (TEM) etc. The effects of dopant concentration, calcined temperature, calcinations duration on samples were studied and also investigate the effect of varying dopant concentration on morphology and optical properties of calcined nanomaterials. From results it was observed that the crystallite size of nanocomposites increases with increases dopant concentration or increases calcinations duration. The optical band gap decreases with increases sintering time and increase with increases dopant concentrations. TEM results coincide with XRD results and show that particles are polycrystalline in nature. FTIR spectra show that for all samples particles are pure in composition and transmission rate increases with calcinations duration.« less

Phosphorus ionization in silicon doped by self-assembled macromolecular monolayers

NASA Astrophysics Data System (ADS)

Wu, Haigang; Li, Ke; Gao, Xuejiao; Dan, Yaping

2017-10-01

Individual dopant atoms can be potentially controlled at large scale by the self-assembly of macromolecular dopant carriers. However, low concentration phosphorus dopants often suffer from a low ionization rate due to defects and impurities introduced by the carrier molecules. In this work, we demonstrated a nitrogen-free macromolecule doping technique and investigated the phosphorus ionization process by low temperature Hall effect measurements. It was found that the phosphorus dopants diffused into the silicon bulk are in nearly full ionization. However, the electrons ionized from the phosphorus dopants are mostly trapped by deep level defects that are likely carbon interstitials.

First-principles study of Co- and Cu-doped Ni2MnGa along the tetragonal deformation path

NASA Astrophysics Data System (ADS)

Zelený, M.; Sozinov, A.; Straka, L.; Björkman, T.; Nieminen, R. M.

2014-05-01

The influence of Co and Cu doping on Ni-Mn-Ga Heusler alloy is investigated using the first-principles exact muffin-tin orbital method in combination with the coherent-potential approximation. Single-element doping and simultaneous doping by both elements are investigated in Ni50-xCoxMn25-yGa25-zCuy+z alloys, with dopant concentrations x ,y, and z up to 7.5 at. %. Doping with Co in the Ni sublattice decreases the (c/a)NM ratio of the nonmodulated (NM) martensite, but it simultaneously increases the cubic phase stability with respect to the NM phase. Doping with Cu in the Mn or in Ga sublattices does not change the (c/a)NM ratio significantly and it decreases the cubic phase stability. For simultaneous doping by Co in the Ni sublattice and Cu in the Mn or Ga sublattices, the effects of the individual dopants are independent and about the same as for the single-element doping. Thus, the (c/a)NM ratio can be adjusted by Co doping while the phase stability can be balanced by Cu doping, resulting in stable martensite with a reduced (c/a)NM. The local stability of the cubic phase with respect to the tetragonal deformation can be understood on the basis of a density-of-states analysis.

Self-Compliant Bipolar Resistive Switching in SiN-Based Resistive Switching Memory

PubMed Central

Kim, Sungjun; Chang, Yao-Feng; Kim, Min-Hwi; Kim, Tae-Hyeon; Kim, Yoon; Park, Byung-Gook

2017-01-01

Here, we present evidence of self-compliant and self-rectifying bipolar resistive switching behavior in Ni/SiNx/n+ Si and Ni/SiNx/n++ Si resistive-switching random access memory devices. The Ni/SiNx/n++ Si device’s Si bottom electrode had a higher dopant concentration (As ion > 1019 cm−3) than the Ni/SiNx/n+ Si device; both unipolar and bipolar resistive switching behaviors were observed for the higher dopant concentration device owing to a large current overshoot. Conversely, for the device with the lower dopant concentration (As ion < 1018 cm−3), self-rectification and self-compliance were achieved owing to the series resistance of the Si bottom electrode. PMID:28772819

Growth and lasing of single crystal YAG fibers with different Ho3+ concentrations

NASA Astrophysics Data System (ADS)

Bera, Subhabrata; Nie, Craig D.; Soskind, Michael G.; Li, Yuan; Harrington, James A.; Johnson, Eric G.

2018-01-01

A method to grow single crystal (SC) yttrium aluminum garnet (YAG) fibers with varied rare-earth ion dopant concentration has been proposed. Crystalline holmium aluminum garnet (HoAG), prepared via sol-gel process, was dip-coated on to previously grown SC YAG fibers. The HoAG coated SC YAG fiber preforms were re-grown to a smaller diameter using the laser heated pedestal growth (LHPG) technique. The final dopant concentration of the re-grown SC fiber was varied by changing the number of HoAG coatings on the preform. 120 μm diameter SC Ho:YAG fibers with four different dopant concentrations were grown. Lasing was demonstrated at 2.09 μm for these fibers. A maximum of 58.5% optical-to-optical slope efficiency was obtained.

Direct observation of dopant distribution in GaAs compound semiconductors using phase-shifting electron holography and Lorentz microscopy.

PubMed

Sasaki, Hirokazu; Otomo, Shinya; Minato, Ryuichiro; Yamamoto, Kazuo; Hirayama, Tsukasa

2014-06-01

Phase-shifting electron holography and Lorentz microscopy were used to map dopant distributions in GaAs compound semiconductors with step-like dopant concentration. Transmission electron microscope specimens were prepared using a triple beam focused ion beam (FIB) system, which combines a Ga ion beam, a scanning electron microscope, and an Ar ion beam to remove the FIB damaged layers. The p-n junctions were clearly observed in both under-focused and over-focused Lorentz microscopy images. A phase image was obtained by using a phase-shifting reconstruction method to simultaneously achieve high sensitivity and high spatial resolution. Differences in dopant concentrations between 1 × 10(19) cm(-3) and 1 × 10(18) cm(-3) regions were clearly observed by using phase-shifting electron holography. We also interpreted phase profiles quantitatively by considering inactive layers induced by ion implantation during the FIB process. The thickness of an inactive layer at different dopant concentration area can be measured from the phase image. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Doping assessment in GaAs nanowires.

PubMed

Goktas, N Isik; Fiordaliso, E M; LaPierre, R R

2018-06-08

Semiconductor nanowires (NWs) are a candidate technology for future optoelectronic devices. One of the critical issues in NWs is the control of impurity doping for the formation of p-n junctions. In this study, beryllium (p-type dopant) and tellurium (n-type dopant) in self-assisted GaAs NWs was studied. The GaAs NWs were grown on (111) Si by molecular beam epitaxy using the self-assisted method. The dopant incorporation in the self-assisted GaAs NWs was investigated using Raman spectroscopy, photoluminescence, secondary ion mass spectrometry and electron holography. Be-doped NWs showed similar carrier concentration as compared to thin film (TF) standards. However, Te-doped NWs showed at least a one order of magnitude lower carrier concentration as compared to TF standards. Dopant incorporation mechanisms in NWs are discussed.

Doping assessment in GaAs nanowires

NASA Astrophysics Data System (ADS)

Isik Goktas, N.; Fiordaliso, E. M.; LaPierre, R. R.

2018-06-01

Semiconductor nanowires (NWs) are a candidate technology for future optoelectronic devices. One of the critical issues in NWs is the control of impurity doping for the formation of p–n junctions. In this study, beryllium (p-type dopant) and tellurium (n-type dopant) in self-assisted GaAs NWs was studied. The GaAs NWs were grown on (111) Si by molecular beam epitaxy using the self-assisted method. The dopant incorporation in the self-assisted GaAs NWs was investigated using Raman spectroscopy, photoluminescence, secondary ion mass spectrometry and electron holography. Be-doped NWs showed similar carrier concentration as compared to thin film (TF) standards. However, Te-doped NWs showed at least a one order of magnitude lower carrier concentration as compared to TF standards. Dopant incorporation mechanisms in NWs are discussed.

Effect of N, S Co-doped TiO2 concentration on photocatalytic degradation of phenol

NASA Astrophysics Data System (ADS)

Yunus, Nur Najwa; Hamzah, Fazlena; So'aib, Mohamad Sufian; Krishnan, Jagannathan

2017-12-01

The effect of N, S Co-doped TiO2 concentration on photocatalytic degradation of phenol was investigated. The photocatalyst were prepared using sol-gel method with different concentration of dopant ranging from 0.5% to 1.0%. The precursor of titania was Titanium (IV) isopropoxide (TTIP) while the sources of nitrogen and sulfur were ammonium nitrate and thiourea respectively. The precursors were mixed to obtain a gel. The gel was dried, ground and calcined at 600 °C. The characterization of the photocatalyst using XRD showed the presence of anatase phase only and dopant concentration of 1.0% had the smallest size of crystallite which is 24 nm. The performance of the photocatalyst was tested under visible light for five hours of irradiation time. The highest degradation efficiency of phenol was at 81.8% by dopant concentration of 1.0%.

Structural Effects of Lanthanide Dopants on Alumina

PubMed Central

Patel, Ketan; Blair, Victoria; Douglas, Justin; Dai, Qilin; Liu, Yaohua; Ren, Shenqiang; Brennan, Raymond

2017-01-01

Lanthanide (Ln3+) doping in alumina has shown great promise for stabilizing and promoting desirable phase formation to achieve optimized physical and chemical properties. However, doping alumina with Ln elements is generally accompanied by formation of new phases (i.e. LnAlO3, Ln2O3), and therefore inclusion of Ln-doping mechanisms for phase stabilization of the alumina lattice is indispensable. In this study, Ln-doping (400 ppm) of the alumina lattice crucially delays the onset of phase transformation and enables phase population control, which is achieved without the formation of new phases. The delay in phase transition (θ → α), and alteration of powder morphology, particle dimensions, and composition ratios between α- and θ-alumina phases are studied using a combination of solid state nuclear magnetic resonance, electron microscopy, digital scanning calorimetry, and high resolution X-ray diffraction with refinement fitting. Loading alumina with a sparse concentration of Ln-dopants suggests that the dopants reside in the vacant octahedral locations within the alumina lattice, where complete conversion into the thermodynamically stable α-domain is shown in dysprosium (Dy)- and lutetium (Lu)-doped alumina. This study opens up the potential to control the structure and phase composition of Ln-doped alumina for emerging applications. PMID:28059121

Structural Effects of Lanthanide Dopants on Alumina

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, Ketan; Blair, Victoria; Douglas, Justin

Lanthanide (Ln 3+) doping in alumina has shown great promise for stabilizing and promoting desirable phase formation to achieve optimized physical and chemical properties. However, doping alumina with Ln elements is generally accompanied by formation of new phases (i.e. LnAlO 3, Ln 2O 3), and therefore inclusion of Ln-doping mechanisms for phase stabilization of the alumina lattice is indispensable. In this study, Ln-doping (400 ppm) of the alumina lattice crucially delays the onset of phase transformation and enables phase population control, which is achieved without the formation of new phases. In addition, the delay in phase transition (θ → α),more » and alteration of powder morphology, particle dimensions, and composition ratios between α- and θ-alumina phases are studied using a combination of solid state nuclear magnetic resonance, electron microscopy, digital scanning calorimetry, and high resolution X-ray diffraction with refinement fitting. Loading alumina with a sparse concentration of Ln-dopants suggests that the dopants reside in the vacant octahedral locations within the alumina lattice, where complete conversion into the thermodynamically stable α-domain is shown in dysprosium (Dy)- and lutetium (Lu)-doped alumina. Lastly, this study opens up the potential to control the structure and phase composition of Ln-doped alumina for emerging applications.« less

Structural Effects of Lanthanide Dopants on Alumina

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patel, Ketan; Blair, Victoria; Douglas, Justin

Lanthanide (Ln 3+) doping in alumina has shown great promise for stabilizing and promoting desirable phase formation to achieve optimized physical and chemical properties. However, doping alumina with Ln elements is generally accompanied by formation of new phases (i.e. LnAlO3, Ln2O3), and therefore inclusion of Ln-doping mechanisms for phase stabilization of the alumina lattice is indispensable. In this study, Ln-doping (400 ppm) of the alumina lattice crucially delays the onset of phase transformation and enables phase population control, which is achieved without the formation of new phases. The delay in phase transition (θ → α), and alteration of powder morphology,more » particle dimensions, and composition ratios between α- and θ-alumina phases are studied using a combination of solid state nuclear magnetic resonance, electron microscopy, digital scanning calorimetry, and high resolution X-ray diffraction with refinement fitting. Loading alumina with a sparse concentration of Ln-dopants suggests that the dopants reside in the vacant octahedral locations within the alumina lattice, where complete conversion into the thermodynamically stable α-domain is shown in dysprosium (Dy)- and lutetium (Lu)-doped alumina. This study opens up the potential to control the structure and phase composition of Ln-doped alumina for emerging applications.« less

Structural Effects of Lanthanide Dopants on Alumina

DOE PAGES

Patel, Ketan; Blair, Victoria; Douglas, Justin; ...

2017-01-06

Lanthanide (Ln 3+) doping in alumina has shown great promise for stabilizing and promoting desirable phase formation to achieve optimized physical and chemical properties. However, doping alumina with Ln elements is generally accompanied by formation of new phases (i.e. LnAlO 3, Ln 2O 3), and therefore inclusion of Ln-doping mechanisms for phase stabilization of the alumina lattice is indispensable. In this study, Ln-doping (400 ppm) of the alumina lattice crucially delays the onset of phase transformation and enables phase population control, which is achieved without the formation of new phases. In addition, the delay in phase transition (θ → α),more » and alteration of powder morphology, particle dimensions, and composition ratios between α- and θ-alumina phases are studied using a combination of solid state nuclear magnetic resonance, electron microscopy, digital scanning calorimetry, and high resolution X-ray diffraction with refinement fitting. Loading alumina with a sparse concentration of Ln-dopants suggests that the dopants reside in the vacant octahedral locations within the alumina lattice, where complete conversion into the thermodynamically stable α-domain is shown in dysprosium (Dy)- and lutetium (Lu)-doped alumina. Lastly, this study opens up the potential to control the structure and phase composition of Ln-doped alumina for emerging applications.« less

Transparent and semitransparent conducting film deposition by reactive-environment, hollow cathode sputtering

NASA Astrophysics Data System (ADS)

Delahoy, A. E.; Guo, S. Y.

2005-07-01

Highly transparent and conductive In2O3 and ZnO films containing different doping elements such as Ti, Mo, Zr, Nb, Ta, W (for In2O3), and B (for ZnO) have been prepared by reactive-environment, hollow cathode sputtering (RE-HCS). The use of Nb and W as effective dopants is reported for the first time. Metallic targets were used exclusively, and the dopant concentration was easily controlled using a second sputtering power supply. As a result of the cathode and gas flow geometry, the sputtering is conducted in metal mode, and the target and doping materials are free from oxidation during the deposition process. Film resistivities achieved with the various dopants are reported. For In2O3:Mo (IMO), a resistivity of 1.6×10-4Ω cm and a mobility of 80 cm2/Vs were achieved for Mo concentrations in the range 0.5-5.0% as measured by inductively coupled plasma (ICP). X-ray photoelectron spectroscopy (XPS) analysis indicates Mo with a +6 valence state and that the film is stoichiometric. For In2O3:Ti (ITiO), a superior optical transmission is achieved relative to IMO, while carrier mobility and conductivity were similar. Remarkably, semitransparent films of InN:O having sheet resistances of 9.5 Ω/square have also been prepared. ZnO:B films deposited by RE-HCS exhibit superior optical properties relative to ZnO:Al, and when applied as a window layer to CIGS solar cells yield higher quantum efficiencies.

Thermal stability of implanted dopants in GaN

NASA Astrophysics Data System (ADS)

Wilson, R. G.; Pearton, S. J.; Abernathy, C. R.; Zavada, J. M.

1995-04-01

Results are reported of measurements of depth profiles and stability against redistribution with annealing up to 800 or 900 °C, for implanted Be, C, Mg, Si, S, Zn, Ge, and Se as dopants in GaN. The results confirm the high-temperature stability of dopants in this material up to temperatures that vary from 600 to 900 °C. S redistributes for temperatures above 600 °C, and Zn and Se, for temperatures above 800 °C. All of the other elements are stable to 900 °C. These results indicate that direct implantation of dopants rather than masked diffusion will probably be necessary to define selective area doping of III-V nitride device structures based on these results for GaN.

Perspective analysis of tri gate germanium tunneling field-effect transistor with dopant segregation region at source/drain

NASA Astrophysics Data System (ADS)

Liu, Liang-kui; Shi, Cheng; Zhang, Yi-bo; Sun, Lei

2017-04-01

A tri gate Ge-based tunneling field-effect transistor (TFET) has been numerically studied with technology computer aided design (TCAD) tools. Dopant segregated Schottky source/drain is applied to the device structure design (DS-TFET). The characteristics of the DS-TFET are compared and analyzed comprehensively. It is found that the performance of n-channel tri gate DS-TFET with a positive bias is insensitive to the dopant concentration and barrier height at n-type drain, and that the dopant concentration and barrier height at a p-type source considerably affect the device performance. The domination of electron current in the entire BTBT current of this device accounts for this phenomenon and the tri-gate DS-TFET is proved to have a higher performance than its dual-gate counterpart.

Density functional theory study of dopant effect on formation energy of intrinsic point defects in germanium crystals

NASA Astrophysics Data System (ADS)

Yamaoka, S.; Kobayashi, K.; Sueoka, K.; Vanhellemont, J.

2017-09-01

During the last decade the use of single crystal germanium (Ge) layers and structures in combination with silicon (Si) substrates has led to a revival of defect research on Ge. Ge is used because of the much higher carrier mobility compared to Si, allowing to design devices operating at much higher frequencies. A major issue for the use of Ge single crystal wafers is the fact that all Czochralski-grown Ge (CZ-Ge) crystals are vacancy-rich and contain vacancy clusters that are much larger than the ones in Si. In contrast to Si, control of intrinsic point defect concentrations has not yet been realized at the same level in Ge crystals due to the lack of experimental data especially on dopant effects. In this study, we have evaluated with density functional theory (DFT) calculations the dopant effect on the formation energy (Ef) of the uncharged vacancy (V) and self-interstitial (I) in Ge and compared the results with those for Si. The dependence of the total thermal equilibrium concentrations of point defects (sum of free V or I and V or I paired with dopant atoms) at melting temperature on the type and concentration of various dopants is obtained. It was found that (1) Ge crystals will be more V-rich by Tl, In, Sb, Sn, As and P doping, (2) Ge crystals will be more I-rich by Ga, C and B doping, (3) Si doping has negligible impact. The dopant impact on Ef of V and I in Ge has a narrower range and is smaller than that in Si. The obtained results are useful to control grown-in V and I concentrations, and will perhaps also allow to develop defect-free ;perfect; Ge crystals.

Simulation of Ge Dopant Emission in Indirect-Drive ICF Implosion Experiments

NASA Astrophysics Data System (ADS)

Macfarlane, Joseph; Golovkin, I.; Regan, S.; Epstein, R.; Mancini, R.; Peterson, K.; Suter, L.

2012-10-01

We present results from simulations performed to study the radiative properties of dopants used in inertial confinement fusion indirect-drive capsule implosion experiments on NIF. In Rev5 NIF ignition capsules, a Ge dopant is added to an inner region of the CH ablator to absorb hohlraum x-ray preheat. Spectrally resolved emission from ablator dopants can be used to study the degree of mixing of ablator material into the ignition hot spot. Here, we study the atomic processes that affect the radiative characteristics of these elements using a set of simulation tools to first estimate the evolution of plasma conditions in the compressed target, and then to compute the atomic kinetics of the dopant and the resultant radiative emission. Using estimates of temperature and density profiles predicted by radiation-hydrodynamics simulations, we set up simple plasma grids where we allow dopant material to be embedded in the fuel, and perform multi-dimensional collisional-radiative simulations using SPECT3D to compute non-LTE atomic level populations and spectral signatures from the dopant. Recently improved Stark-broadened line shape modeling for Ge K-shell lines has been included. The goal is to study the radiative and atomic processes that affect the emergent spectra, including the effects of inner-shell photoabsorption and Kα reemission from the dopant, and to study the sensitivity of the emergent spectra to the dopant and the hot spot and ablator conditions.

Simulation of Ge Dopant Emission in Indirect-Drive ICF Implosion Experiments

NASA Astrophysics Data System (ADS)

Macfarlane, J. J.; Golovkin, I.; Kulkarni, S.; Regan, S.; Epstein, R.; Mancini, R.; Peterson, K.; Suter, L. J.

2013-10-01

We present results from simulations performed to study the radiative properties of dopants used in inertial confinement fusion indirect-drive capsule implosion experiments on NIF. In Rev5 NIF ignition capsules, a Ge dopant is added to an inner region of the CH ablator to absorb hohlraum x-ray preheat. Spectrally resolved emission from ablator dopants can be used to study the degree of mixing of ablator material into the ignition hot spot. Here, we study the atomic processes that affect the radiative characteristics of these elements using a set of simulation tools to first estimate the evolution of plasma conditions in the compressed target, and then to compute the atomic kinetics of the dopant and the resultant radiative emission. Using estimates of temperature and density profiles predicted by radiation-hydrodynamics simulations, we set up simple 2-D plasma grids where we allow dopant material to be embedded in the fuel, and perform multi-dimensional collisional-radiative simulations using SPECT3D to compute non-LTE atomic level populations and spectral signatures from the dopant. Recently improved Stark-broadened line shape modeling for Ge K-shell lines has been included. The goal is to study the radiative and atomic processes that affect the emergent spectra, including the effects of inner-shell photoabsorption and K α reemission from the dopant.

Confined Doping for Control of Transport Properties in Nanowires and Nanofilms

NASA Astrophysics Data System (ADS)

Zhong, Jianxin; Stocks, G. Malcolm

2006-03-01

Doping, an essential element for manipulation of electronic transport in traditional semiconductor industry, is widely expected to play important role as well in control of transport properties in nanostructures. However, traditional theory of electronic disorder predicts that doping in one-dimensional and two-dimensional systems leads to carrier localization, limiting practical applications due to poor carrier mobility. Here, a novel concept is proposed that offers the possibility to significantly increase carrier mobility by confining the distribution of dopants within a particular region [1]. Thus, the doped nanostructure becomes a coupled system comprising a doped subsystem and a perfect crystalline subsystem. We showed that carrier mobility in such a dopped nanowire or a nanofilm exhibits counterintuitive behavior in the regime of heavy doping. In particular, the larger the dopant concentration the higher the carrier mobility; we trace this transition to the existence of quasi-mobility-edges in the nanowires and mobility edges in nanofilms. *J.X. Zhong and G.M. Stocks, Nano Lett., in press, (2005)

Research on ion implantation in MEMS device fabrication by theory, simulation and experiments

NASA Astrophysics Data System (ADS)

Bai, Minyu; Zhao, Yulong; Jiao, Binbin; Zhu, Lingjian; Zhang, Guodong; Wang, Lei

2018-06-01

Ion implantation is widely utilized in microelectromechanical systems (MEMS), applied for embedded lead, resistors, conductivity modifications and so forth. In order to achieve an expected device, the principle of ion implantation must be carefully examined. The elementary theory of ion implantation including implantation mechanism, projectile range and implantation-caused damage in the target were studied, which can be regarded as the guidance of ion implantation in MEMS device design and fabrication. Critical factors including implantations dose, energy and annealing conditions are examined by simulations and experiments. The implantation dose mainly determines the dopant concentration in the target substrate. The implantation energy is the key factor of the depth of the dopant elements. The annealing time mainly affects the repair degree of lattice damage and thus the activated elements’ ratio. These factors all together contribute to ions’ behavior in the substrates and characters of the devices. The results can be referred to in the MEMS design, especially piezoresistive devices.

Change in Dielectric Properties in the Microwave Frequency Region of Polypyrrole–Coated Textiles during Aging

PubMed Central

Hakansson, Eva; Kaynak, Akif; Kouzani, Abbas

2016-01-01

Complex permittivity of conducting polypyrrole (PPy)-coated Nylon-Lycra textiles is measured using a free space transmission measurement technique over the frequency range of 1–18 GHz. The aging of microwave dielectric properties and reflection, transmission and absorption for a period of 18 months is demonstrated. PPy-coated fabrics are shown to be lossy over the full frequency range. The levels of absorption are shown to be higher than reflection in the tested samples. This is attributed to the relatively high resistivity of the PPy-coated fabrics. Both the dopant concentration and polymerisation time affect the total shielding effectiveness and microwave aging behaviour. Distinguishing either of these two factors as being exclusively the dominant mechanism of shielding effectiveness is shown to be difficult. It is observed that the PPy-coated Nylon-Lycra samples with a p-toluene sulfonic acid (pTSA) concentration of 0.015 M and polymerisation times of 60 min and 180 min have 37% and 26% decrease in total transmission loss, respectively, upon aging for 72 weeks at room temperature (20 °C, 65% Relative humidity (RH)). The concentration of the dopant also influences the microwave aging behaviour of the PPy-coated fabrics. The samples with a higher dopant concentration of 0.027 mol/L pTSA are shown to have a transmission loss of 32.6% and 16.5% for short and long polymerisation times, respectively, when aged for 72 weeks. The microwave properties exhibit better stability with high dopant concentration and/or longer polymerization times. High pTSA dopant concentrations and/or longer polymerisation times result in high microwave insertion loss and are more effective in reducing the transmission and also increasing the longevity of the electrical properties. PMID:28773729

Change in Dielectric Properties in the Microwave Frequency Region of Polypyrrole-Coated Textiles during Aging.

PubMed

Hakansson, Eva; Kaynak, Akif; Kouzani, Abbas

2016-07-22

Complex permittivity of conducting polypyrrole (PPy)-coated Nylon-Lycra textiles is measured using a free space transmission measurement technique over the frequency range of 1-18 GHz. The aging of microwave dielectric properties and reflection, transmission and absorption for a period of 18 months is demonstrated. PPy-coated fabrics are shown to be lossy over the full frequency range. The levels of absorption are shown to be higher than reflection in the tested samples. This is attributed to the relatively high resistivity of the PPy-coated fabrics. Both the dopant concentration and polymerisation time affect the total shielding effectiveness and microwave aging behaviour. Distinguishing either of these two factors as being exclusively the dominant mechanism of shielding effectiveness is shown to be difficult. It is observed that the PPy-coated Nylon-Lycra samples with a p -toluene sulfonic acid ( p TSA) concentration of 0.015 M and polymerisation times of 60 min and 180 min have 37% and 26% decrease in total transmission loss, respectively, upon aging for 72 weeks at room temperature (20 °C, 65% Relative humidity (RH)). The concentration of the dopant also influences the microwave aging behaviour of the PPy-coated fabrics. The samples with a higher dopant concentration of 0.027 mol/L p TSA are shown to have a transmission loss of 32.6% and 16.5% for short and long polymerisation times, respectively, when aged for 72 weeks. The microwave properties exhibit better stability with high dopant concentration and/or longer polymerization times. High p TSA dopant concentrations and/or longer polymerisation times result in high microwave insertion loss and are more effective in reducing the transmission and also increasing the longevity of the electrical properties.

Transition Metal Doped ZnO for Spintronics

DTIC Science & Technology

2007-07-01

TM-doped material, including understanding the role of deep level co- dopants in mediating ferromagnetism. Experiments will focus on correlating...magnetic properties (Curie temperature, moment/TM dopant ) with the TM and deep level dopant concentrations. Epitaxial film growth and ion implantation of...With Cobalt ," Florida Chapter American Vacuum Society Meeting, Orlando, FL, March 2007 3. "Carrier Type Conversion In Post Annealed ZnO:P Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ogedengbe, O. S.; Swartz, C. H.; Jayathilaka, P. A. R. D.

Here, iodine-doped CdTe and Cd 1-xMg xTe layers were grown by molecular beam epitaxy. Secondary ion mass spectrometry characterization was used to measure dopant concentration, while Hall measurement was used for determining carrier concentration. Photoluminescence intensity and time-resolved photoluminescence techniques were used for optical characterization. Maximum n-type carrier concentrations of 7.4 x 10 18 cm -3 for CdTe and 3 x 10 17 cm -3 for Cd 0.65Mg 0.35Te were achieved. Studies suggest that electrically active doping with iodine is limited with dopant concentration much above these values. Dopant activation of about 80% was observed in most of the CdTemore » samples. The estimated activation energy is about 6 meV for CdTe and the value for Cd 0.65Mg 0.35Te is about 58 meV. Iodine-doped samples exhibit long lifetimes with no evidence of photoluminescence degradation with doping as high as 2 x 10 18 cm -3, while indium shows substantial non-radiative recombination at carrier concentrations above 5 x 10 16 cm -3. Iodine was shown to be thermally stable in CdTe at temperatures up to 600 °C. Results suggest iodine may be a preferred n-type dopant compared to indium in achieving heavily doped n-type CdTe.« less

High Resolution Dopant Profiles Revealed by Atom Probe Tomography and STEM-EBIC for CdTe Based Solar Cells

DOE PAGES

Poplawsky, Jonathan D.; Li, Chen; Paudel, Naba; ...

2016-01-01

Segregated elements and their diffusion profiles within grain boundaries and interfaces resulting from post deposition heat treatments are revealed using atom probe tomography (APT), scanning transmission electron microscopy (STEM), and electron beam induced current (EBIC) techniques. The results demonstrate how these techniques complement each other to provide conclusive evidence for locations of space charge regions and mechanisms that create them at the nanoscale. Most importantly, a Cl dopant profile that extends ~5 nm into CdTe grains interfacing the CdS is shown using APT and STEM synergy, which has been shown to push the pn-junction into the CdTe layer indicative ofmore » a homojunction (revealed by STEM EBIC). In addition, Cu and Cl concentrations within grain boundaries within several nms and µms from the CdS/CdTe interface are compared, Na segregation of <0.1% is detected, and S variations of ~1–3% are witnessed between CdTe grains close to the CdS/CdTe interface. The segregation and diffusion of these elements directly impacts on the material properties, such as band gap energy and n/p type properties. Optimization of the interfacial and grain boundary doping will lead to higher efficiency solar cells.« less

The Peculiarities of Structure Formation and Properties of Zirconia-Based Nanocomposites with Addition of Al2O3 and NiO

NASA Astrophysics Data System (ADS)

Danilenko, I.; Lasko, G.; Brykhanova, I.; Burkhovetski, V.; Ahkhozov, L.

2017-02-01

The present study is devoted to the problem of enhancing fracture toughness of ZrO2 ceramic materials through the formation of composite structure by addition of Al2O3 and NiO particles. In this paper, we analyzed the general and distinguished features of microstructure of both composite materials and its effect on fracture toughness of materials. In this paper, we used the XRD, SEM, and EDS methods for determination of granulometric, phase, and chemical composition of sintered materials. The peculiarities of dependence of fracture toughness values from dopant concentration and changing the Y3+ amount in zirconia grains allow us to assume that at least two mechanisms can affect the fracture toughness of ZrO2 ceramics. Crack bridging/deflection processes with the "transformation toughening" affect the K1C values depending on the dopant concentration. Crack deflection mechanism affects the K1C values when the dopant concentrations are low, and transformation toughening affects the K1C values when the dopant concentrations begin to have an impact on microstructure reorganization-redistribution of Y3+ ions and formation of Y3+-depleted grains with high ability to phase transformation.

Facile synthesis of p-type Zn-doped α-Fe2O3 films for solar water splitting

NASA Astrophysics Data System (ADS)

Kuo, Chun-Lin; Hsu, Yu-Kuei; Lin, Yan-Gu

2014-10-01

A facile and simple fabrication of Zn-doped α-Fe2O3 thin films as a photocathode for solar hydrogen generation was proposed in this report. Transparent Zn-doped α-Fe2O3 films were prepared by a deposition-annealing (DA) process using nontoxic iron(III) chloride as the Fe precursor and zinc chloride as a acceptor dopant, followed by annealing at 550 °C in air. In terms of the structural examination of as-grown samples, X-ray diffraction analysis demonstrated an increase in the lattice parameters of Zn incorporated in Fe2O3 by substituting Fe in the host lattice. No second phase was determined, indicating no phase separation in the ternary materials. Energy dispersive spectroscopy results demonstrated that Zn, Fe, and O elements existed in the deposits. Furthermore, impedance measurements show that the Zn-dopant serves as an hole acceptor and increases the acceptor concentration by increasing concentration of zinc precursor. Significantly, the photoelectrochemical measurements exhibited remarkable cathodic current, corresponding to the reduction reaction of hydrogen. Finally, the optimum photocurrent can be achieved by controlled variation of the Fe and Zni precursor concentration, annealing conditions, and the number of DA cycles. According to our investigation, the understandings of morphology effect on PEC activity give the blueprint for materials design in the application of solar hydrogen.

A modified Chang Brown model for the determination of the dopant distribution in a Bridgman Stockbarger semiconductor crystal growth system

NASA Astrophysics Data System (ADS)

Balint, A. M.; Mihailovici, M. M.; Bãltean, D. G.; Balint, St.

2001-08-01

In this paper, we start from the Chang-Brown model which allows computation of flow, temperature and dopant concentration in a vertical Bridgman-Stockbarger semiconductor growth system. The modifications made by us concern the melt/solid interface. Namely, we assume that the phase transition does not take place on a flat mathematical surface, but in a thin region (the so-called precrystallization-zone), masking the crystal, where both phases, liquid and solid, co-exist. We deduce for this zone new effective equations which govern flow, heat and dopant transport and make the coupling of these equations with those governing the same phenomena in the pure melt. We compute flow, temperature and dopant concentration for crystal and melt with thermophysical properties similar to gallium-doped germanium using the modified Chang-Brown model and compare the results to those obtained using the Chang-Brown model.

Ge p-channel tunneling FETs with steep phosphorus profile source junctions

NASA Astrophysics Data System (ADS)

Takaguchi, Ryotaro; Matsumura, Ryo; Katoh, Takumi; Takenaka, Mitsuru; Takagi, Shinichi

2018-04-01

The solid-phase diffusion processes of three n-type dopants, i.e., phosphorus (P), arsenic (As), and antimony (Sb), from spin-on-glass (SOG) into Ge are compared. We show that P diffusion can realize both the highest impurity concentration (˜7 × 1019 cm-3) and the steepest impurity profile (˜10 nm/dec) among the cases of the three n-type dopants because the diffusion coefficient is strongly dependent on the dopant concentration. As a result, we can conclude that P is the most suitable dopant for the source formation of Ge p-channel TFETs. Using this P diffusion, we fabricate Ge p-channel TFETs with high-P-concentration and steep-P-profile source junctions and demonstrate their operation. A high ON current of ˜1.7 µA/µm is obtained at room temperature. However, the subthreshold swing and ON current/OFF current ratio are degraded by any generation-recombination-related current component. At 150 K, SSmin of ˜108 mV/dec and ON/OFF ratio of ˜3.5 × 105 are obtained.

Effect on the structural, DC resistivity and magnetic properties of Zr and Cu co-SubstitutedNi0.5Zn0.5Fe2O4using sol-gel auto-combustion method

NASA Astrophysics Data System (ADS)

Jalaiah, K.; Vijaya Babu, K.; Chandra mouli, K.; Subba Rao, P. S. V.

2018-04-01

The Zr and Cu co-substituted Ni0.5Zn0.5Fe2O4 ferrite nanoparticles have been synthesized by the sol-gel auto combustion method. The XRD patterns confirmed single phase cubic spinel structure for present ferrite systems. The substitution of co-dopants in the spinel structure initially decreases the lattice parameter from x = 0.00 to 0.08 and thereafter increases and the same tendency reflecting in cell volume. The DC resistivity was initially increased later followed the decreasing trend; however the drift mobility of all ferrite samples appears to be in opposite phenomenon to DC resistivity. The saturation magnetization and net magnetic moments of all ferrite samples are decreasing with increasing dopant concentration. The coercive field and Y-K angles are increased with dopant concentration. The initial permeability of all samples is decreased with increasing dopant concentration. The Q-Factor for all samples shows the narrow frequency band with increasing frequency.

A phononic crystal strip based on silicon for support tether applications in silicon-based MEMS resonators and effects of temperature and dopant on its band gap characteristics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ha, Thi Dep, E-mail: hathidep@yahoo.com; Faculty of Electronic Technology, Industrial University of Ho Chi Minh City, Hochiminh City; Bao, JingFu, E-mail: baojingfu@uestc.edu.cn

Phononic crystals (PnCs) and n-type doped silicon technique have been widely employed in silicon-based MEMS resonators to obtain high quality factor (Q) as well as temperature-induced frequency stability. For the PnCs, their band gaps play an important role in the acoustic wave propagation. Also, the temperature and dopant doped into silicon can cause the change in its material properties such as elastic constants, Young’s modulus. Therefore, in order to design the simultaneous high Q and frequency stability silicon-based MEMS resonators by two these techniques, a careful design should study effects of temperature and dopant on the band gap characteristics tomore » examine the acoustic wave propagation in the PnC. Based on these, this paper presents (1) a proposed silicon-based PnC strip structure for support tether applications in low frequency silicon-based MEMS resonators, (2) influences of temperature and dopant on band gap characteristics of the PnC strips. The simulation results show that the largest band gap can achieve up to 33.56 at 57.59 MHz and increase 1280.13 % (also increase 131.89 % for ratio of the widest gaps) compared with the counterpart without hole. The band gap properties of the PnC strips is insignificantly effected by temperature and electron doping concentration. Also, the quality factor of two designed length extensional mode MEMS resonators with proposed PnC strip based support tethers is up to 1084.59% and 43846.36% over the same resonators with PnC strip without hole and circled corners, respectively. This theoretical study uses the finite element analysis in COMSOL Multiphysics and MATLAB softwares as simulation tools. This findings provides a background in combination of PnC and dopant techniques for high performance silicon-based MEMS resonators as well as PnC-based MEMS devices.« less

Selectivity improvement of positive photoionization ion mobility spectrometry for rapid detection of organophosphorus pesticides by switching dopant concentration.

PubMed

Zhou, Qinghua; Li, Jia; Wang, Bin; Wang, Shuang; Li, Haiyang; Chen, Jinyuan

2018-01-01

Ion mobility spectrometry (IMS) opened a potential avenue for the rapid detection of organophosphorus pesticides (OPPs), though an improved selectivity of stand-alone IMS was still in high demand. In this study, a stand-alone positive photoionization ion mobility spectrometry (PP-IMS) apparatus was constructed for the rapid detection of OPPs with acetone as dopant. The photoionization of acetone molecules was induced by the ultraviolet irradiation to produce the reactant ions (Ac) 2 H + , which were employed to ionize the OPPs including fenthion, imidan, phosphamidon, dursban, dimethoate and isocarbophos via the proton transfer reaction. Due to the difference in proton affinity, the tested OPPs exhibited the different dopant-dependent manners. Based on this observation, the switching of dopant concentration was implemented to improve the selectivity of PP-IMS for OPPs detection. For instance, a mixture of fenthion, dursban and dimethoate was tested. By switching the concentration of doped acetone from 0.07 to 2.33 to 19.94mgL -1 , the ion peaks of fenthion and dursban were inhibited in succession, achieving the selective detection of dimethoate at last. In addition, another mixture of imidan and phosphamidon was initially detected by PP-IMS with a dose of 0.07mgL -1 acetone, indicating that their ion peaks were severely overlapped; when the concentration of doped acetone was switched to 19.94mgL -1 , the inhibition of imidan signals promised the accurate identification of phosphamidon in mixture. Finally, the PP-IMS in combination of switching dopant concentration was applied to detect the mixed fenthion, dursban and dimethoate in Chinese cabbage, demonstrating the applicability of proposed method to real samples. Copyright © 2017. Published by Elsevier B.V.

Iodine Doping of CdTe and CdMgTe for Photovoltaic Applications

DOE PAGES

Ogedengbe, O. S.; Swartz, C. H.; Jayathilaka, P. A. R. D.; ...

2017-06-06

Here, iodine-doped CdTe and Cd 1-xMg xTe layers were grown by molecular beam epitaxy. Secondary ion mass spectrometry characterization was used to measure dopant concentration, while Hall measurement was used for determining carrier concentration. Photoluminescence intensity and time-resolved photoluminescence techniques were used for optical characterization. Maximum n-type carrier concentrations of 7.4 x 10 18 cm -3 for CdTe and 3 x 10 17 cm -3 for Cd 0.65Mg 0.35Te were achieved. Studies suggest that electrically active doping with iodine is limited with dopant concentration much above these values. Dopant activation of about 80% was observed in most of the CdTemore » samples. The estimated activation energy is about 6 meV for CdTe and the value for Cd 0.65Mg 0.35Te is about 58 meV. Iodine-doped samples exhibit long lifetimes with no evidence of photoluminescence degradation with doping as high as 2 x 10 18 cm -3, while indium shows substantial non-radiative recombination at carrier concentrations above 5 x 10 16 cm -3. Iodine was shown to be thermally stable in CdTe at temperatures up to 600 °C. Results suggest iodine may be a preferred n-type dopant compared to indium in achieving heavily doped n-type CdTe.« less

First principles study of electronic and structural properties of single walled zigzag boron nitride nanotubes doped with the elements of group IV

NASA Astrophysics Data System (ADS)

Bahari, Ali; jalalinejad, Amir; Bagheri, Mosahhar; Amiri, Masoud

2017-11-01

In this paper, structural and electronic properties and stability of (10, 0) born nitride nanotube (BNNT) are considered within density functional theory by doping group IV elements of the periodic table. The HOMO-LUMO gap has been strongly modified and treated a dual manner by choosing B or N sites for dopant atoms. Formation energy calculation shows that B site doping is more stable than N site doping. Results also show that all dopants turn the pristine BNNT into a p-type semiconductor except for carbon-doped BNNT at B site.

The role of Mg dopant on the morphological, structural and optical properties of Mg doped zinc oxide grown through hydrothermal method

NASA Astrophysics Data System (ADS)

Susetyo, P.; Fauzia, V.; Sugihartono, I.

2017-04-01

ZnO nanorods is a low cost II-VI semiconductor compound with huge potential to be applied in optoelectronic devices i.e. light emitting diodes, solar cells, gas sensor, spintronic devices and lasers. In order to improve the electrical and optical properties, group II, III and IV elements were widely investigated as dopand elements on ZnO. In this work, magnesium (Mg) was doped into ZnO nanorods. Samples were prepared firstly by deposition of undoped ZnO seed layer on indium thin oxide coated glass substrates by ultrasonic spray pyrolysis method and then followed by the growth of ZnO nanorods doped by three different Mg concentrations by hydrothermal method. Based on the morphological, microstructural and optical characterizations results, it is concluded that the increase of magnesium concentration tends to reduce the diameter of ZnO nanorods, increases the bandgap energy and decreases the UV absorption the luminescence in UV and visible range.

Role of defects in one-step synthesis of Cu-doped ZnO nano-coatings by electrodeposition method with enhanced magnetic and electrical properties

NASA Astrophysics Data System (ADS)

Niranjan, K.; Dutta, Subhajit; Varghese, Soney; Ray, Ajoy Kumar; Barshilia, Harish C.

2017-04-01

We report the growth of flower-like ferromagnetic Cu-doped ZnO (CZO) nanostructures using electrochemical deposition on FTO-coated glass substrates. X-ray photoelectron spectroscopy studies affirmed the presence of Cu in ZnO with an oxidation state of 2+. In order to find the optimized dopant concentration, different Cu dopant concentrations of 0.28, 0.30, 0.32, 0.35, 0.38, and 0.40 mM are applied and their magnetic, optical, and electrical properties are studied. Magnetic moment increased with the increasing dopant concentration up to 0.35 mM and then decreased with further increase in the concentration. Diamagnetic pure ZnO showed ferromagnetic nature even with a low doping concentration of 0.28 mM. Band gap increased with the increasing Cu concentration until a value of 0.35 mM and then remained the same for the higher dopant concentrations. It is ascribed to the Burstein-Moss effect. Defect-related broad photoluminescence (PL) peak is observed for the pure ZnO in the visible range. In contrast, Cu-doped samples showed a sharp and intense PL peak at 426 nm due to increased Zn interstitials. Kelvin probe measurements revealed that the Fermi level shifts toward the conduction band for the Cu-doped samples with respect to pure material. Electron transport mechanism in the samples is observed to be dominated by space charge-limited current and Schottky behavior with improved ideality factor up to 0.38 mM Cu.

Codoped direct-gap semiconductor scintillators

DOEpatents

Derenzo, Stephen Edward [Pinole, CA; Bourret-Courchesne, Edith [Berkeley, CA; Weber, Marvin J [Danville, CA; Klintenberg, Mattias K [Berkeley, CA

2008-07-29

Fast, bright inorganic scintillators at room temperature are based on radiative electron-hole recombination in direct-gap semiconductors, e.g. CdS and ZnO. The direct-gap semiconductor is codoped with two different impurity atoms to convert the semiconductor to a fast, high luminosity scintillator. The codopant scheme is based on dopant band to dopant trap recombination. One dopant provides a significant concentration of carriers of one type (electrons or holes) and the other dopant traps carriers of the other type. Examples include CdS:In,Te; CdS:In,Ag; CdS:In,Na; ZnO:Ga,P; ZnO:Ga,N; ZnO:Ga,S; and GaN:Ge,Mg.

Codoped direct-gap semiconductor scintillators

DOEpatents

Derenzo, Stephen E.; Bourret-Courchesne, Edith; Weber, Marvin J.; Klintenberg, Mattias K.

2006-05-23

Fast, bright inorganic scintillators at room temperature are based on radiative electron-hole recombination in direct-gap semiconductors, e.g. CdS and ZnO. The direct-gap semiconductor is codoped with two different impurity atoms to convert the semiconductor to a fast, high luminosity scintillator. The codopant scheme is based on dopant band to dopant trap recombination. One dopant provides a significant concentration of carriers of one type (electrons or holes) and the other dopant traps carriers of the other type. Examples include CdS:In,Te; CdS:In,Ag; CdS:In,Na; ZnO:Ga,P; ZnO:Ga,N; ZnO:Ga,S; and GaN:Ge,Mg.

Thermoluminescent properties of rare earth doped lithium strontium borate phosphors

NASA Astrophysics Data System (ADS)

Jakathamani, S.; Annalakshmi, O.; Jose, M. T.

2018-04-01

Thermoluminescence (TL) of borates is remarkable in the field of radiation dosimetry because they can detect both neutron and gamma radiations. Usually, the TL efficiency of pure borates is low and hence dopants have to be added to increase their TL output. Their sensitivity and thermal stability vary widely and depend strongly on the preparation method. In this study polycrystalline powders of different rare earth doped thermoluminescent phosphors of Lithium Strontium borate (LSB) were synthesized by solid state sintering technique. Among the different rare earth dopants, the phosphor doped with cerium was found to have a simple glow curve structure with a dosimetric peak at around 265°C for a heating rate of 5°C/s. In order to study the effect of dopant on the TL characteristics, LSB phosphor with different concentrations of Ce dopant was synthesized and the TL intensity was found to be maximum for a dopant concentration of 0.7 mol%. All other important dosimetric characteristics like dose response and fading were carried out for the LSB:Ce (0.7 mol%) phosphor. Kinetic parameters like trap depth and frequency factor were determined using Peak shape method from Chen's equation.

Designing New Materials for Converting Solar Energy to Fuels via Quantum Mechanics

DTIC Science & Technology

2014-07-11

dopants can also be exploited to increase charge carrier concentration without creating traps and hence improve the conductivity of these materials...e.g., Mn(II) in hematite for hole transport, Y(III) in MnO:ZnO for electron transport). • We discovered that dopants derived from covalent oxides...e.g., Si from silica, as a dopant in hematite) can also be used to increase charge carrier density without creating traps. Charge carriers stay

Carbon Allotrope Dependence on Temperature and Pressure During Thermal Decomposition of Silicon Carbide

DTIC Science & Technology

2014-03-27

temperature, to its electrical conductivity, while considering its dopant concentration ( or ) [2]. (1-2) As previously stated, temperature effects...electrons [2]. Equations (1-3) and (1-4) are used to calculate electron (or hole) mobility in Si based on total dopant concentration (N) at a given...nickel, or cobalt . The metal catalyst breaks down the carbon feedstock to produce CNTs. As shown in Figure 53 below, 83 gaseous carbon feedstock

Dopants concentration effects on the wavelength shift of long-period fiber gratings used as liquid level detectors

NASA Astrophysics Data System (ADS)

Mao, Barerem-Melgueba; Zhou, Bin

2011-12-01

Two liquid level sensors based on different long-period fiber gratings are proposed and compared. The long-period gratings have the same characteristics (length, grating period) but are fabricated in different optical fibers (photosensitive B-Ge codoped optical fibers with different dopants concentrations). The principle of this type of sensor is based on the refractive index sensitivity of long-period fiber gratings. By monitoring the resonant wavelength shifts of a given attenuation band, one can measure the immersed lengths of long-period fiber gratings and then the liquid level. The levels of two different solutions are measured. The maximum shift (7.69 nm) of the investigated resonance wavelength was observed in LPG1 (fabricated in Fibercore PS1250/1500). By controlling the fiber dopants concentrations one can improve the readouts of a fiber-optic liquid level sensor based on long-period fiber gratings.

A study of astrometric distortions due to “tree rings” in CCD sensors using LSST Photon Simulator

DOE PAGES

Beamer, Benjamin; Nomerotski, Andrei; Tsybychev, Dmitri

2015-05-22

Imperfections in the production process of thick CCDs lead to circularly symmetric dopant concentration variations, which in turn produce electric fields transverse to the surface of the fully depleted CCD that displace the photogenerated charges. We use PhoSim, a Monte Carlo photon simulator, to explore and examine the likely impacts these dopant concentration variations will have on astrometric measurements in LSST. The scale and behavior of both the astrometric shifts imparted to point sources and the intensity variations in flat field images that result from these doping imperfections are similar to those previously observed in Dark Energy Camera CCDs, givingmore » initial confirmation of PhoSim's model for these effects. In addition, the organized shape distortions were observed as a result of the symmetric nature of these dopant variations, causing nominally round sources to be imparted with a measurable ellipticity either aligned with or transverse to the radial direction of this dopant variation pattern.« less

In situ diagnostics of the crystal-growth process through neutron imaging: application to scintillators

DOE PAGES

Tremsin, Anton S.; Makowska, Małgorzata G.; Perrodin, Didier; ...

2016-04-12

Neutrons are known to be unique probes in situations where other types of radiation fail to penetrate samples and their surrounding structures. In this paper it is demonstrated how thermal and cold neutron radiography can provide time-resolved imaging of materials while they are being processed (e.g.while growing single crystals). The processing equipment, in this case furnaces, and the scintillator materials are opaque to conventional X-ray interrogation techniques. The distribution of the europium activator within a BaBrCl:Eu scintillator (0.1 and 0.5% nominal doping concentrations per mole) is studiedin situduring the melting and solidification processes with a temporal resolution of 5–7 s.more » The strong tendency of the Eu dopant to segregate during the solidification process is observed in repeated cycles, with Eu forming clusters on multiple length scales (only for clusters larger than ~50 µm, as limited by the resolution of the present experiments). It is also demonstrated that the dopant concentration can be quantified even for very low concentration levels (~0.1%) in 10 mm thick samples. The interface between the solid and liquid phases can also be imaged, provided there is a sufficient change in concentration of one of the elements with a sufficient neutron attenuation cross section. Tomographic imaging of the BaBrCl:0.1%Eu sample reveals a strong correlation between crystal fractures and Eu-deficient clusters. The results of these experiments demonstrate the unique capabilities of neutron imaging forin situdiagnostics and the optimization of crystal-growth procedures.« less

Direct Electrical Probing of Periodic Modulation of Zinc-Dopant Distributions in Planar Gallium Arsenide Nanowires.

PubMed

Choi, Wonsik; Seabron, Eric; Mohseni, Parsian K; Kim, Jeong Dong; Gokus, Tobias; Cernescu, Adrian; Pochet, Pascal; Johnson, Harley T; Wilson, William L; Li, Xiuling

2017-02-28

Selective lateral epitaxial (SLE) semiconductor nanowires (NWs), with their perfect in-plane epitaxial alignment, ability to form lateral complex p-n junctions in situ, and compatibility with planar processing, are a distinctive platform for next-generation device development. However, the incorporation and distribution of impurity dopants in these planar NWs via the vapor-liquid-solid growth mechanism remain relatively unexplored. Here, we present a detailed study of SLE planar GaAs NWs containing multiple alternating axial segments doped with Si and Zn impurities by metalorganic chemical vapor deposition. The dopant profile of the lateral multi-p-n junction GaAs NWs was imaged simultaneously with nanowire topography using scanning microwave impedance microscopy and correlated with infrared scattering-type near-field optical microscopy. Our results provide unambiguous evidence that Zn dopants in the periodically twinned and topologically corrugated p-type segments are preferentially segregated at twin plane boundaries, while Si impurity atoms are uniformly distributed within the n-type segments of the NWs. These results are further supported by microwave impedance modulation microscopy. The density functional theory based modeling shows that the presence of Zn dopant atoms reduces the formation energy of these twin planes, and the effect becomes significantly stronger with a slight increase of Zn concentration. This implies that the twin formation is expected to appear when a threshold planar concentration of Zn is achieved, making the onset and twin periodicity dependent on both Zn concentration and nanowire diameter, in perfect agreement with our experimental observations.

The effect of grain boundaries on the resistivity of polycrystalline silicon. Ph.D. Thesis - Va. Univ.

NASA Technical Reports Server (NTRS)

Fripp, A. L., Jr.

1974-01-01

The electrical resistivity of polycrystalline silicon films was investigated. The films were grown by the chemical vapor decomposition of silane on oxidized silicon wafers. The resistivity was found to be independent of dopant atom concentration in the lightly doped regions but was a strong function of dopant levels in the more heavily doped regions. A model, based on high dopant atom segregation in the grain boundaries, is proposed to explain the results.

Extended OLED operational lifetime through phosphorescent dopant profile management

DOEpatents

Forrest, Stephen R.; Zhang, Yifan

2017-05-30

This disclosure relates, at least in part, an organic light emitting device, which in some embodiments comprises an anode; a cathode; a first emissive layer disposed between the anode and the cathode, the first emissive layer comprising an electron transporting compound and a phosphorescent emissive dopant compound; and wherein the phosphorescent emissive dopant compound has a concentration gradient, in the emissive layer, which varies from the cathode side of the first emissive layer to the anode side of the emissive layer.

Nanopatterning of Group V Elements for Tailoring the Electronic Properties of Semiconductors by Monolayer Doping.

PubMed

Thissen, Peter; Cho, Kyeongjae; Longo, Roberto C

2017-01-18

Control of the electronic properties of semiconductors is primarily achieved through doping. While scaling down the device dimensions to the molecular regime presents an increasing number of difficulties, doping control at the nanoscale is still regarded as one of the major challenges of the electronic industry. Within this context, new techniques such as monolayer doping (MLD) represent a substantial improvement toward surface doping with atomic and specific doping dose control at the nanoscale. Our previous work has explained in detail the atomistic mechanism behind MLD by means of density-functional theory calculations (Chem. Mater. 2016, 28, 1975). Here, we address the key questions that will ultimately allow one to optimize the scalability of the MLD process. First, we show that dopant coverage control cannot be achieved by simultaneous reaction of several group V elements, but stepwise reactions make it possible. Second, using ab initio molecular dynamics, we investigate the thermal decomposition of the molecular precursors, together with the stability of the corresponding binary and ternary dopant oxides, prior to the dopant diffusion into the semiconductor surface. Finally, the effect of the coverage and type of dopant on the electronic properties of the semiconductor is also analyzed. Furthermore, the atomistic characterization of the MLD process raises unexpected questions regarding possible crystal damage effects by dopant exchange with the semiconductor ions or the final distribution of the doping impurities within the crystal structure. By combining all our results, optimization recipes to create ultrashallow doped junctions at the nanoscale are finally proposed.

Dopant Selective Reactive Ion Etching of Silicon Carbide

NASA Technical Reports Server (NTRS)

Okojie, Robert (Inventor)

2016-01-01

A method for selectively etching a substrate is provided. In one embodiment, an epilayer is grown on top of the substrate. A resistive element may be defined and etched into the epilayer. On the other side of the substrate, the substrate is selectively etched up to the resistive element, leaving a suspended resistive element.

Narrow band gap amorphous silicon semiconductors

DOEpatents

Madan, A.; Mahan, A.H.

1985-01-10

Disclosed is a narrow band gap amorphous silicon semiconductor comprising an alloy of amorphous silicon and a band gap narrowing element selected from the group consisting of Sn, Ge, and Pb, with an electron donor dopant selected from the group consisting of P, As, Sb, Bi and N. The process for producing the narrow band gap amorphous silicon semiconductor comprises the steps of forming an alloy comprising amorphous silicon and at least one of the aforesaid band gap narrowing elements in amount sufficient to narrow the band gap of the silicon semiconductor alloy below that of amorphous silicon, and also utilizing sufficient amounts of the aforesaid electron donor dopant to maintain the amorphous silicon alloy as an n-type semiconductor.

Controlling the stoichiometry and doping of semiconductor materials

DOEpatents

Albin, David; Burst, James; Metzger, Wyatt; Duenow, Joel; Farrell, Stuart; Colegrove, Eric

2016-08-16

Methods for treating a semiconductor material are provided. According to an aspect of the invention, the method includes annealing the semiconductor material in the presence of a compound that includes a first element and a second element. The first element provides an overpressure to achieve a desired stoichiometry of the semiconductor material, and the second element provides a dopant to the semiconductor material.

Multiple dopant injection system for small rocket engines

NASA Technical Reports Server (NTRS)

Sakala, G. G.; Raines, N. G.

1992-01-01

The Diagnostics Test Facility (DTF) at NASA's Stennis Space Center (SSC) was designed and built to provide a standard rocket engine exhaust plume for use in the research and development of engine health monitoring instrumentation. A 1000 lb thrust class liquid oxygen (LOX)-gaseous hydrogen (GH2) fueled rocket engine is used as the subscale plume source to simulate the SSME during experimentation and instrument development. The ability of the DTF to provide efficient, and low cost test operations makes it uniquely suited for plume diagnostic experimentation. The most unique feature of the DTF is the Multiple Dopant Injection System (MDIS) that is used to seed the exhaust plume with the desired element or metal alloy. The dopant injection takes place at the fuel injector, yielding a very uniform and homogeneous distribution of the seeding material in the exhaust plume. The MDIS allows during a single test firing of the DTF, the seeding of the exhaust plume with up to three different dopants and also provides distilled water base lines between the dopants. A number of plume diagnostic-related experiments have already utilized the unique capabilities of the DTF.

Electrical properties of aluminum-doped zinc oxide (AZO) nanoparticles synthesized by chemical vapor synthesis.

PubMed

Hartner, Sonja; Ali, Moazzam; Schulz, Christof; Winterer, Markus; Wiggers, Hartmut

2009-11-04

Aluminum-doped zinc oxide nanoparticles have been prepared by chemical vapor synthesis, which facilitates the incorporation of a higher percentage of dopant atoms, far above the thermodynamic solubility limit of aluminum. The electrical properties of aluminum-doped and undoped zinc oxide nanoparticles were investigated by impedance spectroscopy. The impedance is measured under hydrogen and synthetic air between 323 and 673 K. The measurements under hydrogen as well as under synthetic air show transport properties depending on temperature and doping level. Under hydrogen atmosphere, a decreasing conductivity with increasing dopant content is observed, which can be explained by enhanced scattering processes due to an increasing disorder in the nanocrystalline material. The temperature coefficient for the doped samples switches from positive temperature coefficient behavior to negative temperature coefficient behavior with increasing dopant concentration. In the presence of synthetic air, the conductivity firstly increases with increasing dopant content by six orders of magnitude. The origin of the increasing conductivity is the generation of free charge carriers upon dopant incorporation. It reaches its maximum at a concentration of 7.7% of aluminum, and drops for higher doping levels. In all cases, the conductivity under hydrogen is higher than under synthetic air and can be changed reversibly by changing the atmosphere.

Defect-induced mix experiment for NIF

NASA Astrophysics Data System (ADS)

Schmitt, M. J.; Bradley, P. A.; Cobble, J. A.; Hsu, S. C.; Krasheninnikova, N. S.; Kyrala, G. A.; Magelssen, G. R.; Murphy, T. J.; Obrey, K. A.; Tregillis, I. L.; Wysocki, F. J.; Finnegan, S. M.

2013-11-01

The Defect Induced Mix Experiment (DIME-II) will measure the implosion and mix characteristics of CH capsules filled with 5 atmospheres of DT by incorporating mid-Z dopant layers of Ge and Ga. This polar direct drive (PDD) experiment also will demonstrate the filling of a CH capsule at target chamber center using a fill tube. Diagnostics for these experiments include areal x-ray backlighting to obtain early time images of the implosion trajectory and a multiple-monochromatic imager (MMI) to collect spectrally-resolved images of the capsule dopant line emission near bangtime. The inclusion of two (or more) thin dopant layers at separate depths within the capsule shell facilitates spatial correlation of mix between the layers and the hot gas core on a single shot. The dopant layers are typically 2 μm thick and contain dopant concentrations of 1.5%. Three dimensional Hydra simulations have been performed to assess the effects of PDD asymmetry on capsule performance.

Structural and electrical properties of trimethylboron-doped silicon nanowires

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lew, K.-K.; Pan Ling; Bogart, Timothy E.

2004-10-11

Trimethylboron (TMB) was investigated as a p-type dopant source for the vapor-liquid-solid growth of boron-doped silicon nanowires (SiNWs). The boron concentration in the nanowires was measured using secondary ion mass spectrometry and results were compared for boron-doping using TMB and diborane (B{sub 2}H{sub 6}) sources. Boron concentrations ranging from 1x10{sup 18} to 4x10{sup 19} cm{sup -3} were obtained by varying the inlet dopant/SiH{sub 4} gas ratio. TEM characterization revealed that the B{sub 2}H{sub 6}-doped SiNWs consisted of a crystalline core with a thick amorphous Si coating, while the TMB-doped SiNWs were predominantly single crystal even at high boron concentrations. Themore » difference in structural properties was attributed to the higher thermal stability and reduced reactivity of TMB compared to B{sub 2}H{sub 6}. Four-point resistivity and gate-dependent conductance measurements were used to confirm p-type conductivity in the TMB-doped nanowires and to investigate the effect of dopant concentration on nanowire resistivity.« less

First-principle approach based bandgap engineering for cubic boron nitride doped with group IIA elements

NASA Astrophysics Data System (ADS)

Li, Yubo; Wang, Pengtao; Hua, Fei; Zhan, Shijie; Wang, Xiaozhi; Luo, Jikui; Yang, Hangsheng

2018-03-01

Electronic properties of cubic boron nitride (c-BN) doped with group IIA elements were systematically investigated using the first principle calculation based on density functional theory. The electronic bandgap of c-BN was found to be narrowed when the impurity atom substituted either the B (IIA→B) or the N (IIA→N) atom. For IIA→B, a shallow accept level degenerated into valence band (VB); while for IIA→N, a shallow donor level degenerated conduction band (CB). In the cases of IIBe→N and IIMg→N, deep donor levels were also induced. Moreover, a zigzag bandgap narrowing pattern was found, which is in consistent with the variation pattern of dopants' radius of electron occupied outer s-orbital. From the view of formation energy, the substitution of B atom under N-rich conditions and the substitution of N atom under B-rich conditions were energetically favored. Our simulation results suggested that Mg and Ca are good candidates for p-type dopants, and Ca is the best candidate for n-type dopant.

N-type molecular electrical doping in organic semiconductors: formation and dissociation efficiencies of charge transfer complex

NASA Astrophysics Data System (ADS)

Kim, Jae-Min; Yoo, Seung-Jun; Moon, Chang-Ki; Sim, Bomi; Lee, Jae-Hyun; Lim, Heeseon; Kim, Jeong Won; Kim, Jang-Joo

2016-09-01

Electrical doping is an important method in organic electronics to enhance device efficiency by controlling Fermi level, increasing conductivity, and reducing injection barrier from electrode. To understand the charge generation process of dopant in doped organic semiconductors, it is important to analyze the charge transfer complex (CTC) formation and dissociation into free charge carrier. In this paper, we correlate charge generation efficiency with the CTC formation and dissociation efficiency of n-dopant in organic semiconductors (OSs). The CTC formation efficiency of Rb2CO3 linearly decreases from 82.8% to 47.0% as the doping concentration increases from 2.5 mol% to 20 mol%. The CTC formation efficiency and its linear decrease with doping concentration are analytically correlated with the concentration-dependent size and number of dopant agglomerates by introducing the degree of reduced CTC formation. Lastly, the behavior of dissociation efficiency is discussed based on the picture of the statistical semiconductor theory and the frontier orbital hybridization model.

Computer modelling of the optical behaviour of rare earth dopants in BaY2F8

NASA Astrophysics Data System (ADS)

Jackson, R. A.; Valerio, M. E. G.; Couto Dos Santos, M. A.; Amaral, J. B.

2005-01-01

BaY2F8, when doped with rare earth elements is a material of interest in the development of solid-state laser systems, especially for use in the infrared region. This paper presents the application of a new computational technique, which combines atomistic modelling and crystal field calculations in a study of rare earth doping of the material. Atomistic modelling is used to calculate the symmetry and detailed geometry of the dopant ion-host lattice system, and this information is then used to calculate the crystal field parameters, which are an important indicator in assessing the optical behaviour of the dopant-crystal system. Comparisons with the results of recent experimental work on this material are made.

Materials, properties, and applications of nitrogen-doped organic semiconductors

NASA Astrophysics Data System (ADS)

Chan, Calvin Kar-Fai

As organic semiconducting materials draw increasing attention for many promising applications, including efficient organic light-emitting diodes (OLEDs), large-area organic photovoltaic (OPV) cells, and flexible organic thin-film transistors (OTFTs), chemical doping of organic materials is emerging as an important technique for overcoming performance deficiencies and material limitations of intrinsic organic films. Although p-doping has been amply demonstrated, molecular n-type doping has been difficult to study because of the inherent instability of easily oxidized n-dopants. In this work, the facile use of two low ionization energy (IE) small molecules that are suitable for n-doping a wide range of organic electronic materials is demonstrated. Cobaltocene (CoCp2) and its derivative, decamethylcobaltocene ( CoCp*2 ), were found to have fairly low IEs for organic compounds. Co-deposition of the n-dopants with different host molecules results in pronounced shifts of the Fermi-level towards unoccupied molecular states, indicating a significant increase in electron concentration. The Fermi-level shifts, measured with ultra-violet photoemission spectroscopy (UPS), are correlated with excess carrier densities using a model based on Fermi-Dirac (F-D) statistics and a Gaussian distributed density of states. The calculated electron densities suggest full dopant ionization at low concentrations, and diminished efficiency at high donor concentrations. The concentration of incorporated dopants is examined by chemical composition analysis of doped films using X-ray photoemission spectroscopy (XPS). Atomic concentration depth profiling determined by Rutherford backscattering (RBS) suggests that the incorporation of CoCp2 and CoCp*2 is well-controlled and the dopants are minimally diffusive. Organic films n-doped using CoCp2 and CoCp*2 show several orders of magnitude increase in current density resulting from both enhanced electron injection and increased electron conductivity in the bulk. Increases in the bulk conductivity suggest both improved electron mobility and higher electron concentrations. These findings are applied with previous work on p-doping to fabricate organic p-i-n homojunction devices that exhibit strong rectification and large built-in potentials. Heterojunction OPVs using undoped CuPc and n-doped C60 display significant increases in open-circuit voltage (Voc), short-circuit current (Isc), fill-factor (FF), and efficiency.

The effect of different dopant concentration of tailor-made silica fibers in radiotherapy dosimetry

NASA Astrophysics Data System (ADS)

Begum, Mahfuza; Mizanur Rahman, A. K. M.; Zubair, H. T.; Abdul-Rashid, H. A.; Yusoff, Z.; Begum, Mahbuba; Alkhorayef, M.; Alzimami, K.; Bradley, D. A.

2017-12-01

In thermoluminescence (TL) material dopant concentration has an important effect on their characteristics as a ;radiation-sensor;. The study investigates dosimetric properties of four different concentration (4 mol%, 5 mol%, 7 mol% and 25 mol%) tailor-made Ge-doped silica fibers. The intention is to seek development of alternative TL materials that offer exceptional advantages over existing passive systems of dosimetry, including improved spatial resolution, a water impervious nature and low cost. Photon beams (6 MV and 10 MV) from a clinical linear accelerator were used for irradiation of the fiber samples over radiation therapy doses, ranging from 0.5 Gy to 8 Gy. SEM-EDX analysis was also performed to investigate the homogeneity of distribution of Ge dopant concentration from the fiber samples. The results of measurement were also compared with two of the more commonly used standard TLDs, TLD-100 (LiF: Mg,Ti-7.5% 6LiF) and TLD-700 ((7LiF: Mg,Ti-99.9%7LiF) chips respectively. The TL intensity of the fiber samples was found to strongly depend on Ge dopant concentration, with samples showing enhanced TL yields with decreasing Ge dopant concentration. 4 mol% Ge-doped silica fiber provided the greatest response whereas the 25 mol% samples showed the least, indicative of the well-known concentration quenching effects All fiber TLDs provided linear dose response over the delivered radiotherapy dose-range, the fibers also showing a weak dependence on photon beam energies in comparing the TL yields at 6 and 10 MV. The fading behavior of the different concentration Ge doped TLD-materials were also measured over a period of thirty (30) days subsequent to irradiation. The relative sensitivity of the samples with respect to standard TLD-100 were found to be 0.37, 0.26, 0.13 and 0.02 in respect of the 4, 5, 7 and 25 mol% fibers. The primary dosimetry peak, which was by far the most prominent of any other feature covered by the glow curve, was found to be around 244 °C using the most sensitive silica fiber. The study is expected to pave the way in making more comprehensive investigations aimed at defining improved TL response fiber samples.

Sb- and Bi-doped Mg2Si: location of the dopants, micro- and nanostructures, electronic structures and thermoelectric properties.

PubMed

Farahi, Nader; VanZant, Mathew; Zhao, Jianbao; Tse, John S; Prabhudev, Sagar; Botton, Gianluigi A; Salvador, James R; Borondics, Ferenc; Liu, Zhenxian; Kleinke, Holger

2014-10-28

Due to increasing global energy concerns, alternative sustainable methods to create energy such as thermoelectric energy conversion have become increasingly important. Originally, research into thermoelectric materials was focused on tellurides of bismuth and lead because of the exemplary thermoelectric properties of Bi2Te3 and PbTe. These materials, however, contain toxic lead and tellurium, which is also scarce and thus expensive. A viable alternative material may exist in Mg2Si, which needs to be doped and alloyed in order to achieve reasonable thermoelectric efficiency. Doping is a major problem, as p-type doping has thus far not produced competitive efficiencies, and n-type doping is problematic because of the low solubility of the typical dopants Sb and Bi. This investigation shows experimentally that these dopants can indeed replace Si in the crystal lattice, and excess Sb and Bi atoms are present in the grain boundaries in the form of Mg3Sb2 and Mg3Bi2. As a consequence, the carrier concentration is lower than the formal Sb/Bi concentration suggests, and the thermal conductivity is significantly reduced. DFT calculations are in good agreement with the experimental data, including the band gap and the Seebeck coefficient. Overall, this results in competitive efficiencies despite the low carrier concentration. While ball-milling was previously shown to enhance the solubility of the dopants and thus the carrier concentration, this did not lead to enhanced thermoelectric properties.

Solution-processed organic thermoelectric materials exhibiting doping-concentration-dependent polarity.

PubMed

Hwang, Sunbin; Potscavage, William J; Yang, Yu Seok; Park, In Seob; Matsushima, Toshinori; Adachi, Chihaya

2016-10-26

Recent progress in conducting polymer-based organic thermoelectric generators (OTEGs) has resulted in high performance due to high Seebeck coefficient, high electrical conductivity (σ), and low thermal conductivity obtained by chemically controlling the materials's redox levels. In addition to improving the properties of individual OTEGs to obtain high performance, the development of solution processes for the fabrication of OTEG modules is necessary to realize large thermoelectric voltage and low-cost mass production. However, the scarcity of good candidates for soluble organic n-type materials limits the use of π-leg module structures consisting of complementary elements of p- and n-type materials because of unbalanced transport coefficients that lead to power losses. In particular, the extremely low σ of n-type materials compared with that of p-type materials is a serious challenge. In this study, poly(pyridinium phenylene) (P(PymPh)) was tested as an n-type semiconductor in solution-processed OTEGs, and the carrier density was controlled by a solution-based chemical doping process using the dopant sodium naphthalenide, a well-known reductant. The electronic structures and doping mechanism of P(PymPh) were explored based on the changes in UV-Vis-IR absorption, ultraviolet photoelectron, and X-ray photoelectron spectra. By controlling the dopant concentration, we demonstrate a maximum n-type power factor of 0.81 μW m -1 K -2 with high σ, and at higher doping concentrations, a switch from n-type to p-type TE operation. This is one of the first cases of a switch in polarity just by increasing the concentration of the reductant and may open a new route for simplified fabrication of complementary organic layers.

Unreported Emission Lines of Rb, Ce, La, Sr, Y, Zr, Pb and Se Detected Using Laser-Induced Breakdown Spectroscopy

NASA Technical Reports Server (NTRS)

Lepore, K. H.; Mackie, J.; Dyar, M. D.; Fassett, C. I.

2017-01-01

Information on emission lines for major and minor elements is readily available from the National Institute of Standards and Technology (NIST) as part of the Atomic Spectra Database. However, tabulated emission lines are scarce for some minor elements and the wavelength ranges presented on the NIST database are limited to those included in existing studies. Previous work concerning minor element calibration curves measured using laser-induced break-down spectroscopy found evidence of Zn emission lines that were not documented on the NIST database. In this study, rock powders were doped with Rb, Ce, La, Sr, Y, Zr, Pb and Se in concentrations ranging from 10 percent to 10 parts per million. The difference between normalized spectra collected on samples containing 10 percent dopant and those containing only 10 parts per million were used to identify all emission lines that can be detected using LIBS (Laser-Induced Breakdown Spectroscopy) in a ChemCam-like configuration at the Mount Holyoke College LIBS facility. These emission spectra provide evidence of many previously undocumented emission lines for the elements measured here.

Method and making group IIB metal - telluride films and solar cells

DOEpatents

Basol, Bulent M.; Kapur, Vijay K.

1990-08-21

A technique is disclosed forming thin films (13) of group IIB metal-telluride, such as Cd.sub.x Zn.sub.1-x Te (0.ltoreq.x.ltoreq.1), on a substrate (10) which comprises depositing Te (18) and at least one of the elements (19) of Cd, Zn, and Hg onto a substrate and then heating the elements to form the telluride. A technique is also provided for doping this material by chemically forming a thin layer of a dopant on the surface of the unreacted elements and then heating the elements along with the layer of dopant. A method is disclosed of fabricating a thin film photovoltaic cell which comprises depositing Te and at least one of the elements of Cd, Zn, and Hg onto a substrate which contains on its surface a semiconductor film (12) and then heating the elements in the presence of a halide of the Group IIB metals, causing the formation of solar cell grade Group IIB metal-telluride film and also causing the formation of a rectifying junction, in situ, between the semiconductor film on the substrate and the Group IIB metal-telluride layer which has been formed.

Laboratory Instrumentation Design Research for Scalable Next Generation Epitaxy: Non-Equilibrium Wide Application Epitaxial Patterning by Intelligent Control (NEW-EPIC). Volume 1. 3D Composition/Doping Control via Micromiror Patterned Deep UV Photodesorption: Revolutionary in situ Characterization/Control

DTIC Science & Technology

2009-02-19

magnesium dopant concentration. A digital micromirror device is introduced to pattern incident UV radiation during InGaN growth, demonstrating that the...magnesium dopant concentration. A digital micromirror device is introduced to pattern incident UV radiation during InGaN growth, demonstrating that the...successful compositional patterning of InGaN using in situ digital micromirror device (DMD) patterning of ultraviolet (UV

Optical, electrical, and photovoltaic properties of PbS thin films by anionic and cationic dopants

NASA Astrophysics Data System (ADS)

Cheraghizade, Mohsen; Jamali-Sheini, Farid; Yousefi, Ramin

2017-06-01

Lead sulfide (PbS) thin films were deposited by CVD method to examine the effects of anionic and cationic dopants on optical and electrical properties for photovoltaic applications. XRD diffractograms verified the formation of cubic phase of multicrystalline PbS thin films. FESEM images showed surface morphologies in nano-dimensions (rods and flowers). UV-Vis-NIR spectrum revealed absorbance in the visible and NIR regions for all samples, in which dopants decreased the intensity of absorbance. Se as an anionic dopant for PbS thin films increased electrical resistance, acceptor concentrations, and crystallite defects, and decreased flat-band voltage and depletion width. Finally, photovoltaic measurements indicated that Zn-doped PbS thin film, as a photovoltaic cell, exhibited higher conversion efficiency and external quantum efficiency (EQE).

A hetero-homogeneous investigation of chemical bath deposited Ga-doped ZnO nanorods

NASA Astrophysics Data System (ADS)

Rakhsha, Amir Hosein; Abdizadeh, Hossein; Pourshaban, Erfan; Golobostanfard, Mohammad Reza

2018-01-01

One-dimensional nanostructures of zinc oxide (ZnO) have been in the center of attention, mostly for electronic applications due to their distinctive properties such as high electron mobility (100 cm2V-1s-1) and crystallinity. Thanks to its high density of vacancies and interstitial sites, wurtzite lattice of ZnO is a suitable host for gallium (Ga) as a dopant element. Herein, ZnO nanorod arrays (NRAs) are synthesized by a low-temperature chemical bath deposition (CBD) method with various concentrations of gallium nitrate hydrate as a dopant precursor. Structural and morphological analyses confirm that optimum properties of gallium-doped ZnO (GZO) are obtained at 1% (Ga to Zn molar ratio). Owing to the replacement of smaller Ga3+ ions with Zn2+ ions in the GZO structure, a slight shift of (002) peak to higher angles could be observed in XRD pattern of GZO NRAs. The scanning electron microscope images demonstrate a proliferation in the ZnO NRAs length from 650 nm for undoped ZnO (UZO) to 1200 nm for GZO-1%. However, increasing the dopant concentration above 2.5% results in formation of homogeneous zinc gallium oxide in the bulk solution, which is a sign of inefficient process of doping in GZO NRAs. Furthermore, photoluminescence spectroscopy is used to characterize the band-gap variation of the samples, which demonstrates a small red-shift in the UV emission peak and a decrease in visible emission peak intensity with introducing Ga in ZnO lattice. Lower resistivity for GZO-1% (1.1 MΩ) sample compared to UZO (1.4 MΩ) is recorded, which is compelling evidence for the presence of Ga3+ in ZnO lattice. The results suggest that incorporating Ga into ZnO lattice using CBD method is an easy and effective technique to improve the electrical properties of ZnO NRAs that is an essential factor for a broad range of devices.

Synthetic and spectroscopic studies of vanadate glaserites II: Photoluminescence studies of Ln:K{sub 3}Y(VO{sub 4}){sub 2} (Ln=Eu, Er, Sm, Ho, or Tm)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kimani, Martin M., E-mail: kimani@g.clemson.edu; McMillen, Colin D., E-mail: cmcmill@g.clemson.edu; Kolis, Joseph W., E-mail: kjoseph@clemson.edu

2015-03-15

Glaserite-type potassium yttrium double vanadates (K{sub 3}Y(VO{sub 4}){sub 2}) doped with Eu{sup 3+}, Er{sup 3+}, Sm{sup 3+}, Ho{sup 3+}, or Tm{sup 3+} have been synthesized by solid state reactions at 1000 °C for 48 h and their photoluminescence properties investigated. Efficient energy transfer from the vanadate group to the rare earth ion has been established by photoluminescence investigation. Ultraviolet excitation into the metal to ligand charge transfer band of the vanadate groups results in orange-red, blue and green emissions from Eu{sup 3+} (592 nm), Sm{sup 3+} (602 nm), Tm{sup 3+} (475 nm), Er{sup 3+} (553 nm), and Ho{sup 3+} (541–551more » nm) dopant ions. The emission intensities of the lanthanide-doped K{sub 3}Y(VO{sub 4}){sub 2} powders were studied as a function of dopant ion concentrations. Over the concentration ranges studied, no emission quenching was observed for Eu{sup 3+} or Ho{sup 3+} dopants, while Er{sup 3+}, Sm{sup 3+} and Tm{sup 3+} dopants did exhibit such effects for dopant ion concentrations greater than 5%, probably due to cross relaxation processes. - Graphical abstract: Synthesis and photoluminescence in vanadate glaserites. - Highlights: • K{sub 3}Y(VO{sub 4}){sub 2} doped with Eu, Er, Tm, Sm, or Ho were synthesized via solid-state reactions. • Photoluminescence properties are investigated. • The lanthanide doped K{sub 3}Y(VO{sub 4}){sub 2} compounds revealed efficient energy transfer from the vanadate group to the rare earth ions. • The presented compounds are promising materials for light display systems, lasers, and optoelectronic devices.« less

Phosphorus-defect interactions during thermal annealing of ion implanted silicon

NASA Astrophysics Data System (ADS)

Keys, Patrick Henry

Ion implantation of dopant atoms into silicon generates nonequilibrium levels of crystal defects that can lead to the detrimental effects of transient enhanced diffusion (TED), incomplete dopant activation, and p-n junction leakage. In order to control these effects, it is vital to have a clear understanding of dopant-defect interactions and develop models that account for these interactions. This research focuses on experimentally investigating and modeling the clustering of phosphorus dopant atoms with silicon interstitials. Damage recovery of 40keV Si+ implants in phosphorus doped wells is experimentally analyzed. The effects of background phosphorus concentration, self implant dose, and anneal temperature are investigated. Phosphorus concentrations ranging from 2.0 x 1017 to 4.0 x 1019 cm-3 and Si+ doses ranging from 5.0 x 1013 cm-2 to 2.0 x 1014 cm-2 are studied during 650-800°C anneals. A dramatic reduction in the number of interstitials bound in {311} defects with increasing phosphorus background concentration is observed. It is suggested that the reduction of interstitials in {311} defects at high phosphorus concentrations is due to the formation of phosphorus-interstitial clusters (PICs). The critical concentration for clustering (approximately 1.0 x 1019 cm-3 at 750°C) is strongly temperature dependent and in close agreement with the kink concentration of phosphorus diffusion. Information gained from these "well experiments" is applied to the study of direct phosphorus implantation. An experimental study is conducted on 40keV phosphorus implanted to a dose of 1.0 x 1014 cm-2 during 650-800°C anneals. Electrically inactive PICs are shown to form at concentrations below the solid solubility limit due to high interstitial supersaturations. Data useful for developing a model to accurately predict phosphorus diffusion under nonequilibrium conditions are extracted from the experimental results. A cluster-mediated diffusion model is developed using the Florida Object Oriented Process Simulator (FLOOPS). The nucleation of defects is controlled by the diffusion-limited competition for excess interstitials between PICs and {311} clusters. The release of interstitials is driven by cluster dissolution. Modeling results show a strong correlation to those experimentally observed over a wide temporal and thermal domain using a single set of parameters. Improvements in process simulator accuracy are demonstrated with respect to dopant activation, TED, and dose loss.

Sol-flame synthesis of cobalt-doped TiO2 nanowires with enhanced electrocatalytic activity for oxygen evolution reaction.

PubMed

Cai, Lili; Cho, In Sun; Logar, Manca; Mehta, Apurva; He, Jiajun; Lee, Chi Hwan; Rao, Pratap M; Feng, Yunzhe; Wilcox, Jennifer; Prinz, Fritz B; Zheng, Xiaolin

2014-06-28

Doping nanowires (NWs) is of crucial importance for a range of applications due to the unique properties arising from both impurities' incorporation and nanoscale dimensions. However, existing doping methods face the challenge of simultaneous control over the morphology, crystallinity, dopant distribution and concentration at the nanometer scale. Here, we present a controllable and reliable method, which combines versatile solution phase chemistry and rapid flame annealing process (sol-flame), to dope TiO2 NWs with cobalt (Co). The sol-flame doping method not only preserves the morphology and crystallinity of the TiO2 NWs, but also allows fine control over the Co dopant profile by varying the concentration of Co precursor solution. Characterizations of the TiO2:Co NWs show that Co dopants exhibit 2+ oxidation state and substitutionally occupy Ti sites in the TiO2 lattice. The Co dopant concentration significantly affects the oxygen evolution reaction (OER) activity of TiO2:Co NWs, and the TiO2:Co NWs with 12 at% of Co on the surface show the highest OER activity with a 0.76 V reduction of the overpotential with respect to undoped TiO2 NWs. This enhancement of OER activity for TiO2:Co NWs is attributed to both improved surface charge transfer kinetics and increased bulk conductivity.

Phototropic liquid crystal materials containing naphthopyran dopants

NASA Astrophysics Data System (ADS)

Rumi, Mariacristina; Cazzell, Seth; Kosa, Tamas; Sukhomlinova, Ludmila; Taheri, Bahman; Bunning, Timothy; White, Timothy

2015-03-01

Dopant molecules dispersed in a liquid crystalline material usually affects the order of the system and the transition temperature between various phases. If the dopants undergo photoisomerization between conformers with different shapes, the interactions with the liquid crystal molecules can be different for the material in the dark and during exposure to light of appropriate wavelength. This can be used to achieve isothermal photoinduced phase transitions (phototropism). With proper selection of materials components, both order-to-disorder and disorder-to-order photoinduced transition have been demonstrated. Isothermal order-increasing transitions have been observed recently using naphthopyran derivatives as dopants. We are investigating the changes in order parameter and transition temperature of liquid crystal mixtures containing naphthopyrans and how they are related to exposure conditions and to the concentration and molecular structure of the dopants. We are also studying the nature of the photoinduced phase transitions, and comparing the behavior with that of azobenzene-doped mixtures, in which exposure to light leads to a decrease, instead of an increase, in the order of the system.

Optimization of ionic conductivity in doped ceria

PubMed Central

Andersson, David A.; Simak, Sergei I.; Skorodumova, Natalia V.; Abrikosov, Igor A.; Johansson, Börje

2006-01-01

Oxides with the cubic fluorite structure, e.g., ceria (CeO2), are known to be good solid electrolytes when they are doped with cations of lower valence than the host cations. The high ionic conductivity of doped ceria makes it an attractive electrolyte for solid oxide fuel cells, whose prospects as an environmentally friendly power source are very promising. In these electrolytes, the current is carried by oxygen ions that are transported by oxygen vacancies, present to compensate for the lower charge of the dopant cations. Ionic conductivity in ceria is closely related to oxygen-vacancy formation and migration properties. A clear physical picture of the connection between the choice of a dopant and the improvement of ionic conductivity in ceria is still lacking. Here we present a quantum-mechanical first-principles study of the influence of different trivalent impurities on these properties. Our results reveal a remarkable correspondence between vacancy properties at the atomic level and the macroscopic ionic conductivity. The key parameters comprise migration barriers for bulk diffusion and vacancy–dopant interactions, represented by association (binding) energies of vacancy–dopant clusters. The interactions can be divided into repulsive elastic and attractive electronic parts. In the optimal electrolyte, these parts should balance. This finding offers a simple and clear way to narrow the search for superior dopants and combinations of dopants. The ideal dopant should have an effective atomic number between 61 (Pm) and 62 (Sm), and we elaborate that combinations of Nd/Sm and Pr/Gd show enhanced ionic conductivity, as compared with that for each element separately. PMID:16478802

Optimization of ionic conductivity in doped ceria.

PubMed

Andersson, David A; Simak, Sergei I; Skorodumova, Natalia V; Abrikosov, Igor A; Johansson, Börje

2006-03-07

Oxides with the cubic fluorite structure, e.g., ceria (CeO2), are known to be good solid electrolytes when they are doped with cations of lower valence than the host cations. The high ionic conductivity of doped ceria makes it an attractive electrolyte for solid oxide fuel cells, whose prospects as an environmentally friendly power source are very promising. In these electrolytes, the current is carried by oxygen ions that are transported by oxygen vacancies, present to compensate for the lower charge of the dopant cations. Ionic conductivity in ceria is closely related to oxygen-vacancy formation and migration properties. A clear physical picture of the connection between the choice of a dopant and the improvement of ionic conductivity in ceria is still lacking. Here we present a quantum-mechanical first-principles study of the influence of different trivalent impurities on these properties. Our results reveal a remarkable correspondence between vacancy properties at the atomic level and the macroscopic ionic conductivity. The key parameters comprise migration barriers for bulk diffusion and vacancy-dopant interactions, represented by association (binding) energies of vacancy-dopant clusters. The interactions can be divided into repulsive elastic and attractive electronic parts. In the optimal electrolyte, these parts should balance. This finding offers a simple and clear way to narrow the search for superior dopants and combinations of dopants. The ideal dopant should have an effective atomic number between 61 (Pm) and 62 (Sm), and we elaborate that combinations of Nd/Sm and Pr/Gd show enhanced ionic conductivity, as compared with that for each element separately.

Kapitza resistance at segregated boundaries in β-SiC

NASA Astrophysics Data System (ADS)

Goel, Nipun; Webb, Edmund, III; Oztekin, Alparslan; Rickman, Jeffrey; Neti, Sudhakar

Silicon Carbide is a candidate material for high-temperature thermoelectric applications for harvesting waste heat associated with exhaust from automotive and furnaces as well hot surfaces in solar towers and power electronics. However, for SiC to be a viable thermoelectric material, its thermoelectric figure of merit must be improved significantly. In this talk we examine the role of grain-boundary segregation on phononic thermal transport, an important factor in determining the figure of merit, via non-equilibrium molecular dynamics simulations. In particular, we consider the role of dopant concentration and dopant/matrix interactions on the enhancement of the Kapitza resistance of symmetric tilt grain boundaries. We find that the calculated resistance depends on the segregation profile, with increases of more than a factor of 50 (relative to an unsegregated boundary) at the highest dopant concentrations. Finally, we relate the calculated phonon density of states to changes in the Kapitza resistance.

Towards a predictive route for selection of doping elements for the thermoelectric compound PbTe from first-principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Joseph, Elad; Amouyal, Yaron, E-mail: amouyal@technion.ac.il

2015-05-07

Striving for improvements of the thermoelectric (TE) properties of the technologically important lead telluride (PbTe) compound, we investigate the influence of different doping elements on the thermal conductivity, Seebeck coefficient, and electrical conductivity applying density functional theory calculations. Our approach combines total-energy calculations yielding lattice vibrational properties with the Boltzmann transport theory to obtain electronic transport properties. We find that doping with elements from the 1st and 3rd columns of the periodic table reduces the sound velocity and, consequently, the lattice thermal conductivity, while 2nd column dopants have no such influence. Furthermore, 1.6 at. % doping with 4th and 5th columnmore » elements provides the highest reduction of lattice thermal conductivity. Out of this group, Hf doping results in maximum reduction of the sound velocity from 2030 m s{sup −1} for pure PbTe to 1370 m s{sup −1}, which is equivalent to ca. 32% reduction of lattice thermal conductivity. The highest power factor values calculated for 1.6 at. % doping range between 40 and 56 μW cm{sup −1} K{sup −2}, and are obtained for substitution with dopants having the same valence as Pb or Te, such as those located at the 2nd, 14th, and 16th columns of the periodic table. We demonstrate how this method may be generalized for dopant-selection-oriented materials design aimed at improving TE performance of other compounds.« less

Effects of added dopants on various triboluminescent properties of europium dibenzoylmethide triethylammonium (EuD4TEA)

NASA Astrophysics Data System (ADS)

Owens, Constance; Fontenot, Ross S.; Bhat, Kamala N.; Aggarwal, Mohan D.

2014-03-01

A triboluminescent (TL) material is one that emits light upon pressure, impact, friction, or mechanical shock. TL materials are desirable for investigation because they have the potential to be used as the active element for smart impact sensors. While the material europium dibenzoylmethide triethylammonium (EuD4TEA) produces a TL emission yield that can be observed by the naked eye, it is still not sufficiently bright for use in smart sensor devices. Previous studies have shown that additional materials can be combined with EuD4TEA in order to improve the TL emission yield. In this paper, we discuss the effects of doping on EuD4TEA at different concentrations with a variety of materials on the TL emission yield and decay times. The dopants that were used in this study were nicotine, dibutyl phosphate (DBP), and magnesium. We also discuss both the effects of pH on EuD4TEA, and the doping effects on impact energy. For testing triboluminescent properties, we use a custom-built drop tower that generates triboluminescence by fracturing compounds through impact. Collected data is analyzed using specially written LabVIEW programs.

Electrical properties of tin-doped zinc oxide nanostructures doped at different dopant concentrations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nasir, M. F., E-mail: babaibaik2002@yahoo.com; Zainol, M. N., E-mail: nizarzainol@yahoo.com; Hannas, M., E-mail: mhannas@gmail.com

This project has been focused on the electrical and optical properties respectively on the effect of Tin doped zinc oxide (ZnO) thin films at different dopant concentrations. These thin films were doped with different Sn dopant concentrations at 1 at%, 2 at%, 3 at%, 4 at% and 5 at% was selected as the parameter to optimize the thin films quality while the annealing temperature is fixed 500 °C. Sn doped ZnO solutions were deposited onto the glass substrates using sol-gel spin coating method. This project was involved with three phases, which are thin films preparation, deposition and characterization. The thinmore » films were characterized using Current Voltage (I-V) measurement and ultraviolet-visible-near-infrared (UV-vis-NIR) spectrophotometer (Perkin Elmer Lambda 750) for electrical properties and optical properties. The electrical properties show that the resistivity is the lowest at 4 at% Sn doping concentration with the value 3.08 × 10{sup 3} Ωcm{sup −1}. The absorption coefficient spectrum obtained shows all films exhibit very low absorption in the visible (400-800 nm) and near infrared (NIR) (>800 nm) range but exhibit high absorption in the UV range.« less

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

NASA Technical Reports Server (NTRS)

Ren, Zhifeng (Inventor); Wang, Wenzhong (Inventor); Chen, Gang (Inventor); Dresselhaus, Mildred (Inventor); Poudel, Bed (Inventor); Kumar, Shankar (Inventor)

2009-01-01

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Metal-doped semiconductor nanoparticles and methods of synthesis thereof

DOEpatents

Ren, Zhifeng [Newton, MA; Chen, Gang [Carlisle, MA; Poudel, Bed [West Newton, MA; Kumar, Shankar [Newton, MA; Wang, Wenzhong [Beijing, CN; Dresselhaus, Mildred [Arlington, MA

2009-09-08

The present invention generally relates to binary or higher order semiconductor nanoparticles doped with a metallic element, and thermoelectric compositions incorporating such nanoparticles. In one aspect, the present invention provides a thermoelectric composition comprising a plurality of nanoparticles each of which includes an alloy matrix formed of a Group IV element and Group VI element and a metallic dopant distributed within the matrix.

Improving the ohmic properties of contacts to P-GaN by adding p-type dopants into the metallization layer

NASA Astrophysics Data System (ADS)

Liday, Jozef; Vogrinčič, Peter; Vincze, Andrej; Breza, Juraj; Hotový, Ivan

2012-12-01

The work investigates an increase of the density of free charge carriers in the sub-surface region of p-GaN by adding p-type dopants into the Ni-O layer of an Au/Ni-O metallization structure. We have examined electrical properties and concentration depth profiles of contact structures Au/Ni-Mg-O/p-GaN and Au/Ni-Zn-O/p-GaN, thus with magnesium and zinc as p-type dopants. The metallization layers were deposited on p-GaN by DC reactive magnetron sputtering in an atmosphere with a low concentration of oxygen (0.2 at%). The contacts were annealed in N2 . We have found that the structures containing magnesium or zinc exhibit lower values of contact resistivity in comparison with otherwise identical contacts without Mg or Zn dopants. In our opinion, the lower values of contact resistivity of the structures containing of Mg or Zn are caused by an increased density of holes in the sub-surface region of p-GaN due to diffusion of Mg or Zn from the deposited doped contact layers.

Tuning the gas sensing performance of single PEDOT nanowire devices.

PubMed

Hangarter, Carlos M; Hernandez, Sandra C; He, Xueing; Chartuprayoon, Nicha; Choa, Yong Ho; Myung, Nosang V

2011-06-07

This paper reports the synthesis and dopant dependent electrical and sensing properties of single poly(ethylenedioxythiophene) (PEDOT) nanowire sensors. Dopant type (i.e. polystyrenesulfonate (PSS(-)) and perchlorate (ClO(4)(-))) and solvent (i.e. acetonitrile and 1 : 1 water-acetonitrile mixture) were adjusted to change the conjugation length and hydrophilicity of nanowires which resulted in change of the electrical properties and sensing performance. Temperature dependent coefficient of resistance (TCR) indicated that the electrical properties are greatly dependent on dopants and electrolyte where greater disorder was found in PSS(-) doped PEDOT nanowires compared to ClO(4)(-) doped nanowires. Upon exposure to different analytes including water vapor and volatile organic compounds, these nanowire devices displayed substantially different sensing characteristics. ClO(4)(-) doped PEDOT nanowires from an acetonitrile bath show superior sensing responses toward less electronegative analytes and followed a power law dependence on the analyte concentration at high partial pressures. These tunable sensing properties were attributed to variation in the conjugation lengths, dopant type and concentration of the wires which may be attributed to two distinct sensing mechanisms: swelling within the bulk of the nanowire and work function modulation of Schottky barrier junction between nanowire and electrodes.

Diffusion doping in quantum dots: bond strength and diffusivity.

PubMed

Saha, Avijit; Makkar, Mahima; Shetty, Amitha; Gahlot, Kushagra; A R, Pavan; Viswanatha, Ranjani

2017-02-23

Semiconducting materials uniformly doped with optical or magnetic impurities have been useful in a number of potential applications. However, clustering or phase separation during synthesis has made this job challenging. Recently the "inside out" diffusion doping was proposed to be successful in obtaining large sized quantum dots (QDs) uniformly doped with a dilute percentage of dopant atoms. Herein, we demonstrate the use of basic physical chemistry of diffusion to control the size and concentration of the dopants within the QDs for a given transition metal ion. We have studied three parameters; the bond strength of the core molecules and the diffusion coefficient of the diffusing metal ion are found to be important while the ease of cation exchange was not highly influential in the control of size and concentration of the single domain dilute magnetic semiconductor quantum dots (DMSQDs) with diverse dopant ions M 2+ (Fe 2+ , Ni 2+ , Co 2+ , Mn 2+ ). Steady state optical emission spectra reveal that the dopants are incorporated inside the semiconducting CdS and the emission can be tuned during shell growth. We have shown that this method enables control over doping percentage and the QDs show a superior ferromagnetic response at room temperature as compared to previously reported systems.

Autosurfactant of the second kind: Bi enables δ-doping of Bi in Si

NASA Astrophysics Data System (ADS)

Murata, Koichi; Miki, Kazushi; Fukatsu, Susumu

2017-10-01

Surfactants in heteroepitaxy are catalytic elements that float up to the surface during growth to control the energetics/kinetics of adatoms. "Autosurfactants" are exceptional in that the surfactant action is self-contained without foreign species. So far, autosurfactants as surface smootheners are known. Here, we demonstrate a different class of autosurfactants as surface-segregation quenchers: Bi, a dopant with a strong surface-segregation tendency in Si, is utilized to lock otherwise elusive Bi adatoms themselves to the Si lattice underneath during molecular beam epitaxy. Quasi-1D δ-doping of Bi in Si up to 4 × 1020 cm-3 in terms of volume concentration is achieved.

Oxygen vacancy mediated enhanced photo-absorption from ZnO(0001) nanostructures fabricated by atom beam sputtering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Solanki, Vanaraj; Joshi, Shalik R.; Mishra, Indrani

2016-08-07

The nanoscale patterns created on the ZnO(0001) surfaces during atom beam irradiation have been investigated here for their photo absorption response. Preferential sputtering, during irradiation, promotes Zn-rich zones that serve as the nucleation centers for the spontaneous creation of nanostructures. Nanostructured surfaces with bigger (78 nm) nanodots, displaying hexagonal ordering and long ranged periodic behavior, show higher photo absorption and a ∼0.09 eV reduced bandgap. These nanostructures also demonstrate higher concentration of oxygen vacancies which are crucial for these results. The enhanced photo-response, as observed here, has been achieved in the absence of any dopant elements.

Effect of halogenated impurities on lifetime of organic light emitting diode

NASA Astrophysics Data System (ADS)

Yamawaki, Hayato; Suzuki, Kunihiko; Kubota, Tomohiro; Watabe, Takeyoshi; Ishigaki, Ayumi; Nakamura, Rina; Inoue, Hideko; Nakashima, Harue; Horikoshi, Nozomi; Nowatari, Hiromi; Kataishi, Riho; Hamada, Toshiki; Sasaki, Toshiki; Suzuki, Tsunenori; Seo, Satoshi

2016-09-01

We investigated a correlation between lifetime and the halogen element concentration in an organic light-emitting diode (OLED) and conducted experiments and simulations to discuss degradation mechanisms due to the halogen. OELD is generally formed of high-purity materials. Since the synthesis of high-purity materials takes time and cost, quantitative understanding of the kind, amount, and influence of impurities in OLED devices is expected. The results of combustion ion chromatography show that, if the chlorine concentration in the host material is more than several parts per million, the lifetime of the device is drastically reduced. The chlorine element, which is derived from the chlorinated by-product of the host material, is found to be transferred from the chloride to other materials (e.g., an emissive dopant) according to the results of LC-MS analysis. In addition, the electron transport layer including such impurities is also found to adversely affect the lifetime. The results of TOF-SIMS analysis suggest that the dissociated chlorine element diffuse to the light-emitting layer side when the device is driven. The results of simulations (Gaussian 09) and electrochemical analyses (cyclic voltammetry and electrolysis) reveal that the halogen element is easy to dissociate from halide by excitation or reduction. The halogen element can repeat reactions with the peripheral materials by excitation or reduction and cause damages, e.g., generate radicals or further reaction products due to the radicals. The results of simulation suggest that, such compounds have low energy level and become quenchers.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexandrova, Anastassia N.; Nayhouse, Michael J.; Huynh, Mioy T.

CAl₄²-/- (D₄h, ¹A₁g) is is a cluster ion that has been established to be planar, aromatic, and contain a tetracoordinate planar C atom. Valence isoelectronic substitution of C with Si and Ge in this cluster leads to a radical change of structure toward distorted pentagonal species. We find that this structural change goes together with the cluster acquiring partial covalency of bonding between Si/Ge and Al₄, facilitated by hybridization of the atomic orbitals (AOs). Counter intuitively, for the AAl₄²-/- (A = C, Si, Ge) clusters, hybridization in the dopant atom is strengthened from C, to Si, and to Ge, evenmore » though typically AOs are more likely to hybridize if they are closer in energy (i.e. in earlier elements in the Periodic Table). The trend is explained by the better overlap of the hybrids of the heavier dopants with the orbitals of Al₄. From the thus understood trend, it is inferred that covalency in such clusters can be switched off, by varying the relative sizes of the AOs of the main element and the dopant. Using this mechanism, we then successfully killed covalency in Si, and predicted a new aromatic cluster ion containing a tetracoordinate square planar Si, SiIn₄²-/-.« less

Porous Silicon Nanowires

PubMed Central

Qu, Yongquan; Zhou, Hailong; Duan, Xiangfeng

2011-01-01

In this minreview, we summarize recent progress in the synthesis, properties and applications of a new type of one-dimensional nanostructures — single crystalline porous silicon nanowires. The growth of porous silicon nanowires starting from both p- and n-type Si wafers with a variety of dopant concentrations can be achieved through either one-step or two-step reactions. The mechanistic studies indicate the dopant concentration of Si wafers, oxidizer concentration, etching time and temperature can affect the morphology of the as-etched silicon nanowires. The porous silicon nanowires are both optically and electronically active and have been explored for potential applications in diverse areas including photocatalysis, lithium ion battery, gas sensor and drug delivery. PMID:21869999

Doping of TiO 2 Polymorphs for Altered Optical and Photocatalytic Properties

DOE PAGES

Nie, Xiliang; Zhuo, Shuping; Maeng, Gloria; ...

2009-01-01

Tmore » his paper reviews recent investigations of the influence of dopants on the optical properties of iO 2 polymorphs. he common undoped polymorphs of iO 2 are discussed and compared. he results of recent doping efforts are tabulated, and discussed in the context of doping by elements of the same chemical group. Dopant effects on the band gap and photocatalytic activity are interpreted with reference to a simple qualitative picture of the iO 2 electronic structure, which is supported with first-principles calculations.« less

Energy Harvesting and Storage Systems for Future AF Vehicles

DTIC Science & Technology

2012-05-11

of Bi dopant . Thermal conductivity are little influenced by Bi (Fig. B 12c ). From the result of the figure-of-merit (Fig. B12d), 3 at% Bi doped...type doping element, and K is n-type dopant while Ag doped Mg2Si has a transition from n-type top-type at 350C. ZT of these TE alloys are much lower...metal (2 llflll Eledrolyte - Uthium phosphorus oxynitride (UPON) Uz.gPOnNo.45 (2 llfll) developed by ORNL c.thode - Uthium cobalt oxide UCo02(6

Dopant distributions in n-MOSFET structure observed by atom probe tomography.

PubMed

Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

2009-11-01

The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

High efficient white organic light-emitting diodes with single emissive layer using phosphorescent red, green, and blue dopants

NASA Astrophysics Data System (ADS)

Kim, You-Hyun; Wai Cheah, Kok; Young Kim, Woo

2013-07-01

Phosphorescent white organic light-emitting diodes (PHWOLEDs) with single emissive layer were fabricated by co-doping phosphorescent blue, green, and red emitters with different concentrations. WOLEDs using Ir(piq)3 and Ir(ppy)3 as red and green dopants along with 8% of Firpic as blue dopant with host materials of 4CzPBP in the emissive layer were compared under various doping ratio between Ir(piq)3 and Ir(ppy)3. Triplet-triplet Dexter energy transfer in single emissive PHWOLEDs including three primary colors was saturated from higher triplet energy levels to lower triplet energy levels directly.

Decrease of oxygen vacancy by Zn-doped for improving solar-blind photoelectric performance in β-Ga2O3 thin films

NASA Astrophysics Data System (ADS)

Guo, Daoyou; Qin, Xinyuan; Lv, Ming; Shi, Haoze; Su, Yuanli; Yao, Guosheng; Wang, Shunli; Li, Chaorong; Li, Peigang; Tang, Weihua

2017-11-01

Highly (201) oriented Zn-doped β-Ga2O3 thin films with different dopant concentrations were grown on (0001) sapphire substrates by radio frequency magnetron sputtering. With the increase of Zn dopant concentration, the crystal lattice expands, the energy band gap shrinks, and the oxygen vacancy concentration decreases. Both the metal semiconductor metal (MSM) structure photodetectors based on the pure and Zn-doped β-Ga2O3 thin films exhibit solar blind UV photoelectric property. Compared to the pure β-Ga2O3 photodetector, the Zn-doped one exhibits a lower dark current, a higher photo/dark current ratio, a faster photoresponse speed, which can be attributed to the decreases of oxygen vacancy concentration.[Figure not available: see fulltext.

Preparation of monotectic alloys having a controlled microstructure by directional solidification under dopant-induced interface breakdown

NASA Technical Reports Server (NTRS)

Parr, R. A.; Johnston, M. H.; Mcclure, J. C.

1980-01-01

Monotectic alloys having aligned spherical particles of rods of the minor component dispersed in a matrix of the major component are prepared by forming a melt containing predetermined amounts of the major and minor components of a chosen monotectic system, providing in the melt a dopant capable of breaking down the liquid solid interface for the chosen alloy, and directionally solidfying the melt at a selected temperature gradient and a selected rate of movement of the liquid-solid interface (growth rate). Shaping of the minor component into spheres or rods and the spacing between them are controlled by the amount of dopant and the temperature gradient and growth rate values. Specific alloy systems include Al Bi, Al Pb and Zn Bi, using a transition element such as iron.

Extruded plastic scintillator including inorganic powders

DOEpatents

Bross, Alan D.; Mellott, Kerry L.; Pla-Dalmau, Anna

2006-06-27

A method for producing a plastic scintillator is disclosed. A plurality of nano-sized particles and one or more dopants can be combined with a plastic material for the formation of a plastic scintillator thereof. The nano-sized particles, the dopant and the plastic material can be combined within the dry inert atmosphere of an extruder to produce a reaction that results in the formation of a plastic scintillator thereof and the deposition of energy within the plastic scintillator, such that the plastic scintillator produces light signifying the detection of a radiative element. The nano-sized particles can be treated with an inert gas prior to processing the nano-sized particles, the dopant and the plastic material utilizing the extruder. The plastic scintillator can be a neutron-sensitive scintillator, x-ray sensitive scintillator and/or a scintillator for the detection of minimum ionizing particles.

Ohmic contacts to p-GaN Using Au/Ni-Mg-O Metallization

NASA Astrophysics Data System (ADS)

Liday, Jozef; Vogrinčič, Peter; Hotový, Ivan; Bonanni, Alberta; Sitter, Helmut; Lalinský, Tibor; Vanko, Gabriel; Řeháček, Vlastimil; Breza, Juraj; Ecke, Gernot

2010-11-01

Electrical characteristics and elemental depth profiles of ohmic contacts to p-GaN using Au/Ni-Mg-Ox metallization have been investigated. The objective was to examine the possibilities of increasing the charge carrier concentration in the surface region of GaN by adding Mg, thus of a p-type dopant into the Au/NiOx metallization structure. For this purpose, a Ni-Mg-Ox layer with a low concentration of Mg was deposited on p-GaN by dc reactive magnetron sputtering. The top Au layer was deposited in a similar way. The fabricated contact structures were annealed in N2. When the Ni-Mg layer in the Au/Ni-Mg-Ox/p-GaN structure was deposited in an atmosphere with a low concentration of oxygen (0.2 at%), the structure exhibited a low resistance ohmic nature. The contact resistance was lower than in the case of a Au/Ni-Ox/p-GaN structure without the Mg dopant in the metallic layer. An increase in the concentration of oxygen in the working atmosphere resulted in higher values of the contact resistance of the Au/Ni-Mg-Ox/p-GaN structure. In our opinion the ohmic nature of the contact structure is related to the existence of a metal/p-NiO/p-GaN scheme. The measured values of the contact resistance in the Au/Ni-Mg-Ox/p-GaN structure in comparison with the Au/Ni-Ox/p-GaN structure are caused by an increased charge carrier concentration in the surface region of p-GaN, which is a consequence of Mg diffusion from the Ni-Mg-Ox layer.

Identification of dopant-induced point defects and their effect on the performance of CZT detectors (Conference Presentation)

NASA Astrophysics Data System (ADS)

Gul, Rubi; Bolotnikov, Aleksey E.; Camarda, Giuseppe S.; Cui, Yonggang; Didic, Václav; Egarievwe, Stephen U.; Hossain, Anwar; Roy, Utpal N.; Yang, Ge; James, Ralph B.

2016-09-01

In our prior research we investigated room-temperature radiation detectors (CZT, CMT, CdMgTe, CTS, among other compound semiconductors) for point defects related to different dopants and impurities. In this talk we will report on our most recent research on newly grown CZT crystals doped with In, In+Al, In+Ni, and In+Sn. The main focus will be on the study of dopant-induced point defects using deep-level current transient spectroscopy (i-DLTS). In addition the performance, ? product, gamma-ray spectral response and internal electric field of the detectors were measured and correlated with the dopant-induced point defects and their concentrations. Characterization of the detectors was carried out using i-DLTS for the point defects, Pockels effect for the internal electric-field distribution, and γ-ray spectroscopy for the spectral properties.

Effect of Cu-Dopant on the Structural, Magnetic and Electrical Properties of ZnO

NASA Astrophysics Data System (ADS)

Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Sebayang, P.; Ginting, M.; Siregar, S. M. K.; Nasruddin, M. N.

2017-05-01

Zn1- x Cu x O (x = 0, 2, 3, and 4 at.%) was synthesized by using solid-state reaction technique. The ZnO and CuO powders were mixed and then milled by using high-speed shaker mill. The influence of Cu dopants on the structure, magnetic, and electrical properties was investigated by using XRD, VSM, and I-V and C-V measurements. The XRD analysis showed that the Zn1- x Cu x O had hexagonal wurtzite polycrystalline. The diffraction intensity decreased and the peak position shifted directly to a higher 2θ angle with increasing the dopant concentration. Furthermore, the lattice parameters decreased when the ZnO was doped with x = 0.04, which indicated that the crystal structure changed. The increase of Cu dopants was believed to affect the magnetic and electrical properties of ZnO.

Effects of Phosphorus Implantation on the Activation of Magnesium Doped in GaN

NASA Astrophysics Data System (ADS)

Liu, Kuan-Ting; Chang, Shoou-Jinn; Wu, Sean

2009-08-01

The effects of phosphorus implantation on the activation of magnesium doped in GaN at different dopant concentration ratios have been systematically investigated. Hall effect measurements show that P implantation improves the hole concentration, and that this improvement is dependent on P/Mg dopant concentration ratio and annealing conditions. This phenomenon is attributable to the reduction in self-compensation that results from the formation of deep donors and the enhanced Mg atom activation, which is in reasonable agreement with the optical properties observed by photoluminescence measurements. In addition, a new photoluminescence peak resulting from P-related transitions is also observed, evidently owing to the recombination of electrons from the shallow native donors with holes previously captured by isoelectronic P traps.

High-efficiency GaAs concentrator space cells

NASA Technical Reports Server (NTRS)

Werthen, J. G.; Virshup, G. F.; Macmillan, H. F.; Ford, C. W.; Hamaker, H. C.

1987-01-01

High efficiency Al sub x Ga sub 1-x As/GaAs heteroface solar concentrator cells have been developed for space applications. The cells, which were grown using metalorganic chemical vapor deposition (MOCVD), have been fabricated in both the p-n and n-p configurations. Magnesium and zinc are used as the p-type dopants, and Se is used as the n-type dopant. The space cells, which are designed for use in a Cassegrainian concentrator operating at 100 suns, AMO, have a circular illuminated area 4 mm in diameter on a 5 mm by 5 mm cell. These cells have exhibited flash-tested efficiencies as high as 23.6 percent at 28 C and 21.6 percent at 80 C.

Electrical properties of lightly Ga-doped ZnO nanowires

NASA Astrophysics Data System (ADS)

Alagha, S.; Heedt, S.; Vakulov, D.; Mohammadbeigi, F.; Senthil Kumar, E.; Schäpers, Th; Isheim, D.; Watkins, S. P.; Kavanagh, K. L.

2017-12-01

We investigated the growth, crystal structure, elemental composition and electrical transport characteristics of ZnO nanowires, a promising candidate for optoelectronic applications in the UV-range. Nominally-undoped and Ga-doped ZnO nanowires were grown by metal-organic chemical vapor deposition. Photoluminescence measurements confirmed the incorporation of Ga via donor-bound exciton emission. With atom-probe tomography we estimated an upper limit of the Ga impurity concentration ({10}18 {{cm}}-3). We studied the electrical transport characteristics of these nanowires with a W-nanoprobe technique inside a scanning electron microscope and with lithographically-defined contacts allowing back-gated measurements. An increase in apparent resistivity by two orders of magnitude with decreasing radius was measured with both techniques with a much larger distribution width for the nanoprobe method. A drop in the effective carrier concentration and mobility was found with decreasing radius which can be attributed to carrier depletion and enhanced scattering due to surface states. Little evidence of a change in resistivity was observed with Ga doping, which indicates that the concentration of native or background dopants is higher than the Ga doping concentration.

Theory and computer simulation of relaxor ferroelectrics doped by off-center impurities

NASA Astrophysics Data System (ADS)

Su, Chin-Cheng

A family of ferroelectric materials have relaxation type dynamics. These materials, called relaxor ferroelectrics, show remarkable dielectric and electromechanical properties important for many practical applications that are different from those of normal ferroelectrics. Despite of the engineering importance of relaxor ferroelectrics, the physical origin of the relaxor behavior is not fully understood. A purpose of this thesis is to advance the theory of relaxor ferroelectrics and to develop the model, which could be used for a computer simulation of the static dielectric and dynamic properties and their relation to the concentration of dopant ions. In this thesis, a Ginzburg-Landau type theory of interaction of randomly distributed local dipoles immersed in a paraelectric crystal is developed. The interaction is caused by the polarization of the host lattice generated by these dipoles. It is long-ranged and decays proportionally to the inverse distance between the local dipoles. The obtained effective Hamiltonian of the dipole-dipole interaction is employed for both the Monte Carlo and the Master Equation simulations of the dielectric and ferroelectric properties of a system with off-center dopant ions producing local dipoles. The computer simulation shows that at low concentration of dopant ions the paraelectric state transforms into a macroscopically paraelectric state consisting of randomly oriented polar clusters. The behavior of the system is similar to that of a spin-glass system. The polar clusters amplify the effective dipole moment and significantly increase the dielectric constant. It is shown that the interaction between the clusters results in a spectrum of relaxation times and the transition to the relaxor state. The real and imaginary parts of the susceptibility of this state are calculated. The slim hysteresis loop in the polarization, which usually appears in the high temperature non-polarized relaxor ferroelectrics, is also obtained for our doped system under similar physical conditions. At intermediate dopant concentration, the material undergoes a diffuse phase transition smeared within a temperature range to a ferroelectric state. A further increase in the dopant concentration makes the transition sharper and closer to the conventional ferroelectric transition. The results obtained are compared with the behavior of the K1-xLixTaO 3 relaxor ferroelectric.

Segregation control in vertical Bridgman crystal growth

NASA Astrophysics Data System (ADS)

Tao, Y.; Kou, S.

1996-11-01

To help the crystal grow at a constant dopant concentration in vertical Bridgman crystal growth, the dopant concentration of the growth melt, i.e. the melt from which the crystal grows, was kept constant. To achieve this, three different methods were used to replenish the growth melt at a controlled rate and suppress dopant diffusion between the growth melt and the replenishing melt. In method one, a replenishing crucible having a long melt passageway was immersed in the growth melt. In method two, a replenishing crucible having an independent feed-rate control mechanism was held above the growth melt. In method three, a submerged diffusion baffle was used to form a long melt passageway between the growth melt and the replenishing melt. NaNO 3 was used as a model material for crystal growth. Single crystals were grown by these three methods with effective segregation control. Method two was applied to InSb and single crystals were also grown with effective segregation control.

Compositional dependence of optical and electrical properties of indium doped zinc oxide (IZO) thin films deposited by chemical spray pyrolysis

NASA Astrophysics Data System (ADS)

Dintle, Lawrence K.; Luhanga, Pearson V. C.; Moditswe, Charles; Muiva, Cosmas M.

2018-05-01

The structural and optoelectronic properties of undoped and indium doped zinc oxide (IZO) thin films grown on glass substrates through a simple reproducible custom-made pneumatic chemical spray pyrolysis technique are presented. X-ray diffraction (XRD) results showed a polycrystalline structure of hexagonal wurtzite phase growing preferentially along the (002) plane for the undoped sample. Increase in dopant content modified the orientation leading to more pronounced (100) and (101) reflections. Optical transmission spectra showed high transmittance of 80-90% in the visible range for all thin films. The optical band gap energy (Eg) was evaluated on the basis of the derivative of transmittance (dT/dλ) versus wavelength (λ) model and Tauc's extrapolation method in the region where the absorption coefficient, α ≥ 104 cm-1. The observed values of Eg were found to decrease generally with increasing In dopant concentration. From the figure of merit calculations a sample with 4 at.% In dopant concentration showed better optoelectronic properties.

Controlling BaZrO3 nanostructure orientation in YBa2Cu3O{}_{7-\\delta } films for a three-dimensional pinning landscape

NASA Astrophysics Data System (ADS)

Wu, J. Z.; Shi, J. J.; Baca, F. J.; Emergo, R.; Wilt, J.; Haugan, T. J.

2015-12-01

The orientation phase diagram of self-assembled BaZrO3 (BZO) nanostructures in c-oriented YBa2Cu3O{}7-δ (YBCO) films on flat and vicinal SrTiO3 substrates was studied experimentally with different dopant concentrations and vicinal angles and theoretically using a micromechanical model based on the theory of elasticity. The organized BZO nanostructure configuration was found to be tunable, between c-axis to ab-plane alignment, by the dopant concentration in the YBCO film matrix strained via lattice mismatched substrates. The correlation between the local strain caused by the BZO doping and the global strain on the matrix provides a unique approach for controllable growth of dopant nanostructure landscapes. In particular, a mixed phase of the c-axis-aligned nanorods and the ab-plane-aligned planar nanostructures can be obtained, leading to a three-dimensional pinning landscape with single impurity doping and much improved J c in almost all directions of applied magnetic field.

Calibration on wide-ranging aluminum doping concentrations by photoluminescence in high-quality uncompensated p-type 4H-SiC

NASA Astrophysics Data System (ADS)

Asada, Satoshi; Kimoto, Tsunenobu; Ivanov, Ivan G.

2017-08-01

Previous work has shown that the concentration of shallow dopants in a semiconductor can be estimated from the photoluminescence (PL) spectrum by comparing the intensity of the bound-to-the-dopant exciton emission to that of the free exciton. In this work, we study the low-temperature PL of high-quality uncompensated Al-doped p-type 4H-SiC and propose algorithms for determining the Al-doping concentration using the ratio of the Al-bound to free-exciton emission. We use three different cryogenic temperatures (2, 41, and 79 K) in order to cover the Al-doping range from mid 1014 cm-3 up to 1018 cm-3. The Al-bound exciton no-phonon lines and the strongest free-exciton replica are used as a measure of the bound- and free-exciton emissions at a given temperature, and clear linear relationships are obtained between their ratio and the Al-concentration at 2, 41, and 79 K. Since nitrogen is a common unintentional donor dopant in SiC, we also discuss the criteria allowing one to determine from the PL spectra whether a sample can be considered as uncompensated or not. Thus, the low-temperature PL provides a convenient non-destructive tool for the evaluation of the Al concentration in 4H-SiC, which probes the concentration locally and, therefore, can also be used for mapping the doping homogeneity.

Large thermoelectric efficiency of doped polythiophene junction: A density functional study

NASA Astrophysics Data System (ADS)

Golsanamlou, Zahra; Bagheri Tagani, Meysam; Rahimpour Soleimani, Hamid

2018-06-01

The thermoelectric properties of polythiophene (PT) coupled to the Au (111) electrodes are studied based on density functional theory with nonequilibrium Green function formalism. Specially, the effect of Li and Cl adsorbents on the thermoelectric efficiency of the PT junction is investigated in different concentrations of the dopants for two lengths of the PT. Results show that the presence of dopants can bring the structural changes in the oligomer and modify the arrangement of the molecular levels leading to the dramatic changes in the transmission spectra of the junction. Therefore, the large enhancement in thermopower and consequently figure of merit is obtained by dopants which makes the doped PT junction as a beneficial thermoelectric device.

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

DOE PAGES

Gul, R.; Roy, U. N.; James, R. B.

2017-03-15

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gul, R.; Roy, U. N.; James, R. B.

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

Plasma Doping—Enabling Technology for High Dose Logic and Memory Applications

NASA Astrophysics Data System (ADS)

Miller, T.; Godet, L.; Papasouliotis, G. D.; Singh, V.

2008-11-01

As logic and memory device dimensions shrink with each generation, there are more high dose implants at lower energies. Examples include dual poly gate (also referred to as counter-doped poly), elevated source drain and contact plug implants. Plasma Doping technology throughput and dopant profile benefits at these ultra high dose and lower energy conditions have been well established [1,2,3]. For the first time a production-worthy plasma doping implanter, the VIISta PLAD tool, has been developed with unique architecture suited for precise and repeatable dopant placement. Critical elements of the architecture include pulsed DC wafer bias, closed-loop dosimetry and a uniform low energy, high density plasma source. In this paper key performance metrics such as dose uniformity, dose repeatability and dopant profile control will be presented that demonstrate the production-worthiness of the VIISta PLAD tool for several high dose applications.

Frequency dispersion of capacitance-voltage characteristics in wide bandgap semiconductor-electrolyte junctions

NASA Astrophysics Data System (ADS)

Frolov, D. S.; Zubkov, V. I.

2016-12-01

The frequency dispersion of capacitance-voltage characteristics and derived charge carrier concentration with application to the junction between an electrolyte and wide band-gap semiconductors are investigated. To expand the measurement frequency range, the precision LCR-meter Agilent E4980A was connected to the electrochemical cell ECVPro Nanometrics via a specially designed switch unit. The influence of series resistance and degree of dopant ionization on the frequency dispersion of CV-measured characteristics are discussed. It was shown that in wide band-gap semiconductors one can get both total and ionized dopant concentration, depending on the test frequency choice for capacitance measurements.

Coherent control of the route of magnetic phases in quasi-1D armchair graphene nanoribbons via doping in the presence of electronic correlations

NASA Astrophysics Data System (ADS)

Dinh Hoi, Bui; Yarmohammadi, Mohsen; Davoudiniya, Masoumeh

2018-03-01

In this work, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons would be observed in the presence of electronic dopant. However, the mutual interactions between electrons are also considered based on theoretically tight-binding and Hubbard model calculations considering nearest neighbors within the framework of Green's function technique. This work showed that charge concentration of dopant in such system depending on the weak and strong mutual repulsions plays a crucial role in determining the magnetic phase. It follows from the obtained results that the ground state turns paramagnetic in a range of carrier concentrations by neglecting the electronic correlations. The inclusion of a Coulombic repulsion between electrons stops the phase transition and system remains in its ground state antiferromagnetic phase. Furthermore, we concluded that magnetic phases are insensitive to the electron-electron interaction at all weak and strong concentrations of dopant. In addition, this paper provides a controllable gap engineering by doping and inclusion of electron-electron repulsions for further studies on such system as a new potential nanomaterial for magnetic graphene nanoribbon-based applications.

Influence of defects on the thermoelectricity in SnSe: A comprehensive theoretical study

NASA Astrophysics Data System (ADS)

Zhou, Yecheng; Li, Wei; Wu, Minghui; Zhao, Li-Dong; He, Jiaqing; Wei, Su-Huai; Huang, Li

2018-06-01

SnSe has emerged as an efficient and fascinating thermoelectric material. A fundamental understanding of the effects and nature of intrinsic defects and dopants in SnSe is crucial to optimize its thermoelectric performance. In this paper, we perform first-principles calculations to examine the native and extrinsic point-defect properties in SnSe. We show that the easy formation of acceptorlike Sn vacancy (VSn) is responsible for the p -type conductivity in intrinsic SnSe. We also propose a mechanism and explain the anomalous temperature dependence of the carrier concentration in intrinsic SnSe crystals. Concerning the extrinsic defects, we focus on the dopants used in experiments. We find that Na (Ag) substitution on Sn site, NaSn (AgSn), acts as acceptor, whereas, substitutional BrSe, ISe, and BiSn dopants act as donor. It is shown that for Ag doping, its carrier concentration will be saturated with increasing doping concentration due to the coexistence of compensated defects (Agi and AgSn). Furthermore, we analyze how this doping introduced carrier impact on their thermoelectric characteristics. It is found that the more efficient doping of Na, Br, and I can realize higher Z T .

Reactively-sputtered zinc semiconductor films of high conductivity for heterojunction devices

NASA Technical Reports Server (NTRS)

Stirn, Richard J. (Inventor)

1986-01-01

A high conductivity, n-doped semiconductor film is produced from zinc, or Zn and Cd, and group VI elements selected from Se, S and Te in a reactive magnetron sputtering system having a chamber with one or two targets, a substrate holder, means for heating the substrate holder, and an electric field for ionizing gases in the chamber. Zinc or a compound of Zn and Cd is placed in the position of one of the two targets and doping material in the position of the other of the two targets. Zn and Cd may be placed in separate targets while a dopant is placed in the third target. Another possibility is to place an alloy of Zn and dopant, or Zn, Cd and dopant in one target, thus using only one target. A flow of the inert gas is ionized and directed toward said targets, while a flow of a reactant gas consisting of hydrides of the group VI elements is directed toward a substrate on the holder. The targets are biased to attract negatively ionized inert gas. The desired stochiometry for high conductivity is achieved by controlling the temperature of the substrate, and partial pressures of the gases, and the target power and total pressure of the gases in the chamber.

Enhancement of piezoelectric constants induced by cation-substitution and two-dimensional strain effects on ZnO predicted by density functional perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakamura, Kaoru, E-mail: n-kaoru@criepi.denken.or.jp; Higuchi, Sadao; Ohnuma, Toshiharu

2016-03-21

Using density functional perturbation theory, we investigated the effect of various substitutional dopant elements and in-plane strain on the piezoelectric properties of ZnO. The piezoelectric stress constant e{sub 33} of doped ZnO was found to depend on the formal charge of the substitutional dopant. By decomposing the piezoelectric stress constant e{sub 33} into the individual atomic contributions, the change in the piezoelectric properties was found to originate from a change in the coupling between the atomic displacement and the strain. Furthermore, we found that in-plane tensile strain along the a axis, which is specific to the thin film, can enhancemore » the piezoelectric constant of ZnO. A phase transition from wurtzite to h-BN-type structure was found to occur with increasing in-plane tensile. The piezoelectric strain constant d{sub 33} was predicted to reach ∼200 pC/N for 2.78 at. % V-substituted ZnO at 5.5% in-plane strain, just before the phase transition. These theoretical results suggest that the piezoelectric constant of ZnO can be enhanced by controlling the in-plane strain via selection of the substrate material and dopant element.« less

Recent Trends in Newly Developed Plasma-Sprayed and Sintered Coatings for Implant Applications

NASA Astrophysics Data System (ADS)

Bsat, Suzan; Speirs, Andrew; Huang, Xiao

2016-08-01

The current paper aims to review recent trends (2011 to 2015) in newly developed plasma-sprayed and sintered coatings for implant applications. Recent developments in plasma-sprayed and sintered coatings have focused on improving biological performance, bacterial growth resistance, and mechanical properties, predominantly of HA and glass ceramics. The majority of these improvements are attributed to the addition of dopants. To improve biological performance, trace elements, such as Zn and Mg, both of which are found in bone, were added to replicate the functions they provide for the skeletal system. Though bacterial growth resistance is traditionally improved by Ag dopant, the addition of new dopants such as CeO2 and Zn were explored as well. Great effort has also been made to improve coating adherence and reduce stresses by minimizing coefficient of thermal expansion mismatch between the coating and substrate through the addition of elements such as Zn and Mg or the inclusion of a buffer layer. For sintering process in particular, there was an emphasis on reducing sintering temperature through modification of 45S5 Bioglass. New plasma spray and sintering technologies aimed at reducing high-temperature exposure are briefly introduced as well. These include microplasma spray and spark plasma sintering.

Deprotonation effect of tetrahydrofuran-2-carbonitrile buffer gas dopant in ion mobility spectrometry.

PubMed

Fernandez-Maestre, Roberto; Meza-Morelos, Dairo; Wu, Ching

2016-06-15

When dopants are introduced into the buffer gas of an ion mobility spectrometer, spectra are simplified due to charge competition. We used electrospray ionization to inject tetrahydrofuran-2-carbonitrile (F, 2-furonitrile or 2-furancarbonitrile) as a buffer gas dopant into an ion mobility spectrometer coupled to a quadrupole mass spectrometer. Density functional theory was used for theoretical calculations of dopant-ion interaction energies and proton affinities, using the hybrid functional X3LYP/6-311++(d,p) with the Gaussian 09 program that accounts for the basis set superposition error; analytes structures and theoretical calculations with Gaussian were used to explain the behavior of the analytes upon interaction with F. When F was used as a dopant at concentrations below 1.5 mmol m(-3) in the buffer gas, ions were not observed for α-amino acids due to charge competition with the dopant; this deprotonation capability arises from the production of a dimer with a high formation energy that stabilized the positive charge and created steric hindrance that deterred the equilibrium with analyte ions. F could not completely strip other compounds of their charge because they either showed steric hindrance at the charge site that deterred the approach of the dopant (2,4-lutidine, and DTBP), formed intramolecular bonds that stabilized the positive charge (atenolol), had high proton affinity (2,4-lutidine, DTBP, valinol and atenolol), or were inherently ionic (tetraalkylammonium ions). This selective deprotonation suggests the use of F to simplify spectra of complex mixtures in ion mobility and mass spectrometry in metabolomics, proteomics and other studies that generate complex spectra with thousands of peaks. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Ab initio modeling of vacancies, antisites, and Si dopants in ordered InGaAs

NASA Astrophysics Data System (ADS)

Wang, Jingyang; Lukose, Binit; Thompson, Michael O.; Clancy, Paulette

2017-01-01

In0.53Ga0.47As, a III-V compound semiconductor with high electron mobility, is expected to bring better performance than silicon in next-generation n-type MOSFET devices. However, one major challenge to its wide scale adoption is the difficulty of obtaining high enough dopant activation. For Si-doped InGaAs, the best current experimental result, involving 10 min of furnace annealing at temperatures above 700 °C, yields a free electron concentration of 1.4 ×1019 cm-3, a value that still falls short of requirement for practical applications. In this paper, we investigate the origin of low dopant activation in InGaAs by calculating formation energies for a wide variety of single point defects (Si substutionals, Si tetrahedral interstitials, vacancies, and antisites) in Si-doped In0.5Ga0.5As in a CuAu-I type crystal structure. We find that (1) a high electron concentration can only be achieved under In/Ga-poor growth conditions, while As-poor conditions inhibit n-type doping; and (2) in heavily n-doped samples, cation vacancies VIn/Ga-3 contribute the most to the compensation of excess Si donors via the Si III - VIII mechanism (III = In/Ga), thus becoming the limiting factor to higher dopant activation. Under the most favorable growth conditions for n-doping, we find the maximum carrier concentration to be 5.2 ×1018 cm-3 under thermal equilibrium, within an order of magnitude of the best experimental value.

Native defect properties and p -type doping efficiency in group-IIA doped wurtzite AlN

NASA Astrophysics Data System (ADS)

Zhang, Yong; Liu, Wen; Niu, Hanben

2008-01-01

Using the first-principles full-potential linearized augmented plane-wave (FPLAPW) method based on density functional theory (DFT), we have investigated the native defect properties and p -type doping efficiency in AlN doped with group-IIA elements such as Be, Mg, and Ca. It is shown that nitrogen vacancies (VN) have low formation energies and introduce deep donor levels in wurtzite AlN, while in zinc blende AlN and GaN, these levels are reported to be shallow. The calculated acceptor levels γ(0/-) for substitutional Be (BeAl) , Mg (MgAl) , and Ca (CaAl) are 0.48, 0.58, and 0.95eV , respectively. In p -type AlN, Be interstitials (Bei) , which act as donors, have low formation energies, making them a likely compensating center in the case of acceptor doping. Whereas, when N-rich growth conditions are applied, Bei are energetically not favorable. It is found that p -type doping efficiency of substitutional Be, Mg, and Ca impurities in w-AlN is affected by atomic size and electronegativity of dopants. Among the three dopants, Be may be the best candidate for p -type w-AlN . N-rich growth conditions help us to increase the concentration of BeAl , MgAl , and CaAl .

Impacts of doping concentration on the saturable characteristics of Tm-Ho codoped fiber saturable absorber

NASA Astrophysics Data System (ADS)

Tao, Mengmeng; Feng, Guobin; Yu, Ting; Ye, Xisheng; Wang, Zhenbao; Shen, Yanlong; Zhao, Jun

2018-03-01

Impacts of Tm ion concentration and Ho ion concentration on the saturable behaviors of Tm-Ho codoped fiber saturable absorbers and the output characteristics of the passively Q-switched laser systems are investigated and analyzed both at the initial lasing state and the stable passive Q-switching state. Simulations show that, varying concentrations of Tm and Ho ions have different impacts on the temporal evolution processes but similar effects on the macroscopic characteristics of the laser system. The root for the impacts of dopant concentrations is the population of the 3H6 energy level and the cavity loss it induces. For Tm ions, the rise of the Tm concentration improves the population of the 3H6 energy level directly, while, for Ho ions, higher Ho concentration leads to larger recovery rate of the 3H6 energy level, thus increasing the population of the 3H6 energy level indirectly. As for limited total dopant concentration, the Tm:Ho concentration ratio can be optimized for different applications.

Thickness dependences of solar cell performance

NASA Technical Reports Server (NTRS)

Sah, C. T.

1982-01-01

The significance of including factors such as the base resistivity loss for solar cells thicker than 100 microns and emitter and BSF layer recombination for thin cells in predicting the fill factor and efficiency of solar cells is demonstrated analytically. A model for a solar cell is devised with the inclusion of the dopant impurity concentration profile, variation of the electron and hole mobility with dopant concentration, the concentration and thermal capture and emission rates of the recombination center, device temperature, the AM1 spectra and the Si absorption coefficient. Device equations were solved by means of the transmission line technique. The analytical results were compared with those of low-level theory for cell performance. Significant differences in predictions of the fill factor resulted, and inaccuracies in the low-level approximations are discussed.

The role of the domain size and titanium dopant in nanocrystalline hematite thin films for water photolysis

DOE PAGES

Yan, Danhua; Tao, Jing; Kisslinger, Kim; ...

2015-10-13

Here we develop a novel technique for preparing high quality Ti-doped hematite thin films for photoelectrochemical (PEC) water splitting, through sputtering deposition of metallic iron films from an iron target embedded with titanium (dopants) pellets, followed by a thermal oxidation step that turns the metal films into doped hematite. It is found that the hematite domain size can be tuned from ~10 nm to over 100 nm by adjusting the sputtering atmosphere from more oxidative to mostly inert. The better crystallinity at a larger domain size ensures excellent PEC water splitting performance, leading to record high photocurrent from pure planarmore » hematite thin films on FTO substrates. Titanium doping further enhances the PEC performance of hematite photoanodes. The photocurrent is improved by 50%, with a titanium dopant concentration as low as 0.5 atom%. As a result, it is also found that the role of the titanium dopant in improving the PEC performance is not apparently related to the films’ electrical conductivity which had been widely believed, but is more likely due to the passivation of surface defects by the titanium dopants.« less

Enhanced n-Doping Efficiency of a Naphthalenediimide-Based Copolymer through Polar Side Chains for Organic Thermoelectrics

PubMed Central

2018-01-01

N-doping of conjugated polymers either requires a high dopant fraction or yields a low electrical conductivity because of their poor compatibility with molecular dopants. We explore n-doping of the polar naphthalenediimide–bithiophene copolymer p(gNDI-gT2) that carries oligoethylene glycol-based side chains and show that the polymer displays superior miscibility with the benzimidazole–dimethylbenzenamine-based n-dopant N-DMBI. The good compatibility of p(gNDI-gT2) and N-DMBI results in a relatively high doping efficiency of 13% for n-dopants, which leads to a high electrical conductivity of more than 10–1 S cm–1 for a dopant concentration of only 10 mol % when measured in an inert atmosphere. We find that the doped polymer is able to maintain its electrical conductivity for about 20 min when exposed to air and recovers rapidly when returned to a nitrogen atmosphere. Overall, solution coprocessing of p(gNDI-gT2) and N-DMBI results in a larger thermoelectric power factor of up to 0.4 μW K–2 m–1 compared to other NDI-based polymers. PMID:29457139

Enhanced n-Doping Efficiency of a Naphthalenediimide-Based Copolymer through Polar Side Chains for Organic Thermoelectrics.

PubMed

Kiefer, David; Giovannitti, Alexander; Sun, Hengda; Biskup, Till; Hofmann, Anna; Koopmans, Marten; Cendra, Camila; Weber, Stefan; Anton Koster, L Jan; Olsson, Eva; Rivnay, Jonathan; Fabiano, Simone; McCulloch, Iain; Müller, Christian

2018-02-09

N-doping of conjugated polymers either requires a high dopant fraction or yields a low electrical conductivity because of their poor compatibility with molecular dopants. We explore n-doping of the polar naphthalenediimide-bithiophene copolymer p(gNDI-gT2) that carries oligoethylene glycol-based side chains and show that the polymer displays superior miscibility with the benzimidazole-dimethylbenzenamine-based n-dopant N-DMBI. The good compatibility of p(gNDI-gT2) and N-DMBI results in a relatively high doping efficiency of 13% for n-dopants, which leads to a high electrical conductivity of more than 10 -1 S cm -1 for a dopant concentration of only 10 mol % when measured in an inert atmosphere. We find that the doped polymer is able to maintain its electrical conductivity for about 20 min when exposed to air and recovers rapidly when returned to a nitrogen atmosphere. Overall, solution coprocessing of p(gNDI-gT2) and N-DMBI results in a larger thermoelectric power factor of up to 0.4 μW K -2 m -1 compared to other NDI-based polymers.

First-principles study on ferromagnetism in double perovskite Sr2AlTaO6 doped with Cu or Zn at B sites

NASA Astrophysics Data System (ADS)

Li, Y. D.; Wang, C. C.; Guo, Y. M.; Yu, Y.; Lu, Q. L.; Huang, S. G.; Li, Q. J.; Wang, H.; Cheng, R. L.; Liu, C. S.

2018-05-01

The possibilities of ferromagnetism induced by nonmagnetic dopants (Cu, Zn) in double perovskite Sr2AlTaO6 at B sites are investigated by density functional theory. Calculations reveal that substitutions at Ta-site tend to form high spin electronic configurations and could induce ferromagnetism which can be attributed to the hole-mediated p- d hybridization between Cu (or Zn) eg states and the neighboring O 2p states. The dopants preferably substitute at Al-site and adopt low spin electronic structures. Due to the smaller hole concentration and weaker covalent intensity, Sr2AlTaO6 with dopants at Al-site exhibits p-type metallic semiconductors without spin polarization.

Experimental technique for simultaneous measurement of absorption-, emission cross-sections, and background loss coefficient in doped optical fibers

NASA Astrophysics Data System (ADS)

Karimi, M.; Seraji, F. E.

2010-01-01

We report a new simple technique for the simultaneous measurements of absorption-, emission cross-sections, background loss coefficient, and dopant density of doped optical fibers with low dopant concentration. Using our proposed technique, the experimental characterization of a sample Ge-Er-doped optical fiber is presented, and the results are analyzed and compared with other reports. This technique is suitable for production line of doped optical fibers.

Characterization and Development of Advanced Materials: Role & Understanding of Interfacial Phenomena (Congressional)

DTIC Science & Technology

2007-12-01

therefore the resistance to thermal shock of this material. Thus, dopants such as La20 3 are to be avoided and alternative means to decrease the grain...of the furnace. Ceramic laser materials also have other potential advantages. The dopant concentration of the starting material can be adjusted so that...measurements on the polaron conductor (nickel cobalt spinel oxide) indicated that this material can support high current flows in oxygen environments at a few

Search for and Study of Novel Superconductor with Higher Tc and Jc

DTIC Science & Technology

2015-12-22

system. The high onset-Tc is also found to be RE- independent and dopant concentration independent. - Carried out detailed chemical composition...pure and doped multiferroics and demonstrated that the nature of dopants , including Fe, Co, Ni, Cu, Zn, can change the characteristics of the phase...Lorenz, and C. W. Chu, Journal of Applied Physics 111, 07D903 (2012). "Magnetic order and spin-flop transitions in the cobalt -doped multiferroic Mn1

Mechanistic Studies of Superplasticity of Structural Ceramics

DTIC Science & Technology

1992-02-01

green compact, with a higher density and and most of Ine heavier transition-metal fewer defects and agglomerates, has a cations of the third row, is very...between 60% to 65% of the theoretical defects is merely one which mediates the above solid "elec- density. Samples of 2Y-TZP and other TZPs were prepared...trolyte," although any tendency toward binding between similarly, except for a smaller dopant concentration ot 0.6% point defects and dopants to form

Characterization of electrical properties in axial Si-Ge nanowire heterojunctions using off-axis electron holography and atom-probe tomography

DOE PAGES

Gan, Zhaofeng; Perea, Daniel E.; Yoo, Jinkyoung; ...

2016-09-13

Doped Si-Ge nanowire (NW) heterojunctions were grown using the vapor-liquid-solid method with AuGa and Au catalyst particles. Transmission electron microscopy and off-axis electron holography (EH) were used to characterize the nanostructure and to measure the electrostatic potential profile across the junction resulting from electrically active dopants, while atom-probe tomography (APT) was used to determine the Si, Ge and total (active and inactive) dopant concentration profiles. A comparison of the measured potential profile with simulations indicated that Ga dopants unintentionally introduced during AuGa catalyst growth were electronically inactive despite APT results that showed considerable amounts of Ga in the Si region.more » 10% P in Ge and 100% B in Si were estimated to be activated, which was corroborated by in situ electron-holography biasing experiments. This combination of EH, APT, in situ biasing and simulations allows a better knowledge and understanding of the electrically active dopant distributions in NWs.« less

Dopant effects on 2-ethyl-1-hexanol: A dual-channel impedance spectroscopy and neutron scattering study

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singh, Lokendra P.; Richert, Ranko, E-mail: ranko@asu.edu; Raihane, Ahmed

2015-01-07

A two-channel impedance technique has been used to study the relaxation behavior of 2-ethyl-1-hexanol with polar and non-polar dopants at the few percent concentration level over a wide temperature and frequency range. The non-polar dopants shift both the Debye and the primary structural relaxation time in the same direction, to shorter times for 3-methylpentane and to longer times for squalane, consistent with the relative glass transition temperatures (T{sub g}) of the components. By contrast, polar dopants such as water or methanol modify the α-process towards slower dynamics and increased amplitude, while the Debye process is accelerated and with a decreasedmore » amplitude. This effect of adding water to alcohol is explained by water promoting more compact structures with reduced Kirkwood correlation factors. This picture is consistent with a shift in the neutron scattering pre-peak to lower scattering vectors and with simulation work on alcohol-water systems.« less

Self-Limiting Oxides on WSe2 as Controlled Surface Acceptors and Low-Resistance Hole Contacts.

PubMed

Yamamoto, Mahito; Nakaharai, Shu; Ueno, Keiji; Tsukagoshi, Kazuhito

2016-04-13

Transition metal oxides show much promise as effective p-type contacts and dopants in electronics based on transition metal dichalcogenides. Here we report that atomically thin films of under-stoichiometric tungsten oxides (WOx with x < 3) grown on tungsten diselenide (WSe2) can be used as both controlled charge transfer dopants and low-barrier contacts for p-type WSe2 transistors. Exposure of atomically thin WSe2 transistors to ozone (O3) at 100 °C results in self-limiting oxidation of the WSe2 surfaces to conducting WOx films. WOx-covered WSe2 is highly hole-doped due to surface electron transfer from the underlying WSe2 to the high electron affinity WOx. The dopant concentration can be reduced by suppressing the electron affinity of WOx by air exposure, but exposure to O3 at room temperature leads to the recovery of the electron affinity. Hence, surface transfer doping with WOx is virtually controllable. Transistors based on WSe2 covered with WOx show only p-type conductions with orders of magnitude better on-current, on/off current ratio, and carrier mobility than without WOx, suggesting that the surface WOx serves as a p-type contact with a low hole Schottky barrier. Our findings point to a simple and effective strategy for creating p-type devices based on two-dimensional transition metal dichalcogenides with controlled dopant concentrations.

A comprehensive study on the structural evolution of HfO 2 thin films doped with various dopants

DOE PAGES

Park, Min Hyuk; Schenk, Tony; Fancher, Christopher M.; ...

2017-04-19

The origin of the unexpected ferroelectricity in doped HfO 2 thin films is now considered to be the formation of a non-centrosymmetric Pca2 1 orthorhombic phase. Due to the polycrystalline nature of the films as well as their extremely small thickness (~10 nm) and mixed orientation and phase composition, structural analysis of doped HfO 2 thin films remains a challenging task. As a further complication, the structural similarities of the orthorhombic and tetragonal phase are difficult to distinguish by typical structural analysis techniques such as X-ray diffraction. To resolve this issue, the changes in the grazing incidence X-ray diffraction (GIXRD)more » patterns of HfO 2 films doped with Si, Al, and Gd are systematically examined. For all dopants, the shift of o111/ t101 diffraction peak is observed with increasing atomic layer deposition (ALD) cycle ratio, and this shift is thought to originate from the orthorhombic to P4 2/ nmc tetragonal phase transition with decreasing aspect ratio (2 a/(b + c) for orthorhombic and c/a for the tetragonal phase). For quantitative phase analysis, Rietveld refinement is applied to the GIXRD patterns. A progressive phase transition from P2 1/c monoclinic to orthorhombic to tetragonal is confirmed for all dopants, and a strong relationship between orthorhombic phase fraction and remanent polarization value is uniquely demonstrated. The concentration range for the ferroelectric properties was the narrowest for the Si-doped HfO 2 films. As a result, the dopant size is believed to strongly affect the concentration range for the ferroelectric phase stabilization, since small dopants can strongly decrease the free energy of the tetragonal phase due to their shorter metal–oxygen bonds.« less

A comprehensive study on the structural evolution of HfO 2 thin films doped with various dopants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Min Hyuk; Schenk, Tony; Fancher, Christopher M.

The origin of the unexpected ferroelectricity in doped HfO 2 thin films is now considered to be the formation of a non-centrosymmetric Pca2 1 orthorhombic phase. Due to the polycrystalline nature of the films as well as their extremely small thickness (~10 nm) and mixed orientation and phase composition, structural analysis of doped HfO 2 thin films remains a challenging task. As a further complication, the structural similarities of the orthorhombic and tetragonal phase are difficult to distinguish by typical structural analysis techniques such as X-ray diffraction. To resolve this issue, the changes in the grazing incidence X-ray diffraction (GIXRD)more » patterns of HfO 2 films doped with Si, Al, and Gd are systematically examined. For all dopants, the shift of o111/ t101 diffraction peak is observed with increasing atomic layer deposition (ALD) cycle ratio, and this shift is thought to originate from the orthorhombic to P4 2/ nmc tetragonal phase transition with decreasing aspect ratio (2 a/(b + c) for orthorhombic and c/a for the tetragonal phase). For quantitative phase analysis, Rietveld refinement is applied to the GIXRD patterns. A progressive phase transition from P2 1/c monoclinic to orthorhombic to tetragonal is confirmed for all dopants, and a strong relationship between orthorhombic phase fraction and remanent polarization value is uniquely demonstrated. The concentration range for the ferroelectric properties was the narrowest for the Si-doped HfO 2 films. As a result, the dopant size is believed to strongly affect the concentration range for the ferroelectric phase stabilization, since small dopants can strongly decrease the free energy of the tetragonal phase due to their shorter metal–oxygen bonds.« less

Nature of the abnormal band gap narrowing in highly crystalline Zn1-xCoxO nanorods

NASA Astrophysics Data System (ADS)

Qiu, Xiaoqing; Li, Liping; Li, Guangshe

2006-03-01

Highly crystalline Zn1-xCoxO nanorods were prepared using a hydrothermal method. With increasing Co2+ dopant concentration, the lattice volume enlarged considerably, which is associated with the enhanced repulsive interactions of defect dipole moments on the wall surfaces. This lattice modification produced a significant decrease in band gap energies with its magnitude that followed the relationship, ΔEg=ΔE0•(e-x/B-1), where x and B are Co2+ dopant concentration and a constant, respectively. The abnormal band gap energies were indicated to originate from the sp-d exchange interactions that are proportional to the square of lattice volume.

MHD (magnetohydrodynamics) channel development: Quarterly report for January 1987-March 1987

DOE Office of Scientific and Technical Information (OSTI.GOV)

Not Available

1987-04-01

During the report period several slag doping tests were performed. Four of these tests are described in this report. The results were generally encouraging. Four dopants were investigated: Fe/sub 2/O/sub 3/, Fe/sub 3/O/sub 4/, MnO, and CrO/sub 2/. All but the CrO/sub 2/ proved effective within some range of dopant flow rate. At flow rates above or below this range none of the dopants were desirable. The proper ranges for each of the dopants was coarsely mapped in these experiments. When the dopants were injected directly on the anode wall a power increase was observed. This indicates a possible reductionmore » in the voltage drop due to the presence of the dopant. No power gain or loss was observed when the dopant was injected on the cathode wall. However, inter-cathode voltages were observed to spread more uniformly along the wall. High voltages decreased and low voltages increased. This result should help to reduce wear on the cathodes and their neighboring wall elements by reducing the local electrical field. Current control circuits were tested on both MK VI and MK VII type generators and components for consolidation circuits ordered. Solutions to waste disposal problems created by the implementation of new environmental regulations are being investigated. The MHD generator data from the CDIF 87-SEED-1, 87-SEED-2, and 87-SEED-3 tests have been analyzed and the results are presented in this report. The results of the SIDA model presented in this quarterly report are obtained by assuming a constant boundary layer voltage drop. Variations in the boundary layer voltage drop as a result of diagonal loading changes, iron oxide addition, or seeding rates changes were not considered. Corrections for the effects of ..delta..V/sub b1/ will be made to the results of SIDA when the voltage drop measurements become available.« less

Influence of defects and dopants on the photovoltaic performance of Bi 2S 3: First-principles insights

DOE PAGES

Han, Dan; Du, Mao -Hua; Dai, Chen -Min; ...

2017-02-23

Bi 2S 3 has attracted extensive attention recently as a light-absorber, sensitizer or electron acceptor material in various solar cells. Using first-principles calculations, we find that the photovoltaic efficiency of Bi 2S 3 solar cells is limited by its intrinsic point defects, i.e., both S vacancy and S interstitial can have high concentration and produce deep defect levels in the bandgap, leading to non-radiative recombination of electron–hole carriers and reduced minority carrier lifetime. Unexpectedly most of the intrinsic defects in Bi 2S 3, including even the S interstitial, act as donor defects, explaining the observed n-type conductivity and also causingmore » the high p-type conductivity impossible thermodynamically. Doping in Bi 2S 3 by a series of extrinsic elements is studied, showing that most of the dopant elements such as Cu, Br and Cl make the material even more n-type and only Pb doping makes it weakly p-type. Based on this, we propose that the surface region of n-type Bi 2S 3 nanocrystals in p-PbS/n-Bi 2S 3 nano-heterojunction solar cells may be type-inverted into p-type due to Pb doping, with a buried p–n junction formed in the Bi 2S 3 nanocrystals, which provides a new explanation to the longer carrier lifetime and higher efficiency. Lastly, considering the relatively low conduction band and high n-type conductivity, we predict that Cu, Br and Cl doped Bi 2S 3 may be an ideal n-type electron acceptor or counter electrode material, while the performance of Bi 2S 3 as a light-absorber or sensitizer material is intrinsically limited.« less

Invalidity of the Fermi liquid theory and magnetic phase transition in quasi-1D dopant-induced armchair-edged graphene nanoribbons

NASA Astrophysics Data System (ADS)

Hoi, Bui Dinh; Davoudiniya, Masoumeh; Yarmohammadi, Mohsen

2018-04-01

Based on theoretically tight-binding calculations considering nearest neighbors and Green's function technique, we show that the magnetic phase transition in both semiconducting and metallic armchair graphene nanoribbons with width ranging from 9.83 Å to 69.3 Å would be observed in the presence of injecting electrons by doping. This transition is explained by the temperature-dependent static charge susceptibility through calculation of the correlation function of charge density operators. This work showed that charge concentration of dopants in such system plays a crucial role in determining the magnetic phase. A variety of multicritical points such as transition temperatures and maximum susceptibility are compared in undoped and doped cases. Our findings show that there exist two different transition temperatures and maximum susceptibility depending on the ribbon width in doped structures. Another remarkable point refers to the invalidity (validity) of the Fermi liquid theory in nanoribbons-based systems at weak (strong) concentration of dopants. The obtained interesting results of magnetic phase transition in such system create a new potential for magnetic graphene nanoribbon-based devices.

Nanowire dopant measurement using secondary ion mass spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chia, A. C. E.; Boulanger, J. P.; Wood, B. A.

2015-09-21

A method is presented to improve the quantitative determination of dopant concentration in semiconductor nanowire (NW) arrays using secondary ion mass spectrometry (SIMS). SIMS measurements were used to determine Be dopant concentrations in a Be-doped GaAs thin film and NW arrays of various pitches that were dry-etched from the same film. A comparison of these measurements revealed a factor of 3 to 12 difference, depending on the NW array pitch, between the secondary Be ion yields of the film and the NW arrays, despite being identically doped. This was due to matrix effects and ion beam mixing of Be frommore » the NWs into the surrounding benzocyclobutene that was used to fill the space between the NWs. This indicates the need for etched NWs to be used as doping standards instead of 2D films when evaluating NWs of unknown doping by SIMS. Using the etched NWs as doping standards, NW arrays of various pitches grown by the vapour-liquid-solid mechanism were characterized by SIMS to yield valuable insights into doping mechanisms.« less

Effects of crystallization and dopant concentration on the emission behavior of TiO2:Eu nanophosphors

PubMed Central

2012-01-01

Uniform, spherical-shaped TiO2:Eu nanoparticles with different doping concentrations have been synthesized through controlled hydrolysis of titanium tetrabutoxide under appropriate pH and temperature in the presence of EuCl3·6H2O. Through air annealing at 500°C for 2 h, the amorphous, as-grown nanoparticles could be converted to a pure anatase phase. The morphology, structural, and optical properties of the annealed nanostructures were studied using X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy [EDS], and UV-Visible diffuse reflectance spectroscopy techniques. Optoelectronic behaviors of the nanostructures were studied using micro-Raman and photoluminescence [PL] spectroscopies at room temperature. EDS results confirmed a systematic increase of Eu content in the as-prepared samples with the increase of nominal europium content in the reaction solution. With the increasing dopant concentration, crystallinity and crystallite size of the titania particles decreased gradually. Incorporation of europium in the titania particles induced a structural deformation and a blueshift of their absorption edge. While the room-temperature PL emission of the as-grown samples is dominated by the 5D0 - 7Fj transition of Eu+3 ions, the emission intensity reduced drastically after thermal annealing due to outwards segregation of dopant ions. PMID:22214494

Dopant concentration dependent optical and X-Ray induced photoluminescence in Eu3+ doped La2Zr2O7

NASA Astrophysics Data System (ADS)

Pokhrel, Madhab; Brik, Mikhail; Mao, Yuanbing

2015-03-01

Herein, we will be presenting the dopant (Eu) concentration dependent high density La2Zr2O7 nanoparticles for optical and X-ray scintillation applications by use of X - ray diffraction, Raman, FTIR, scanning electron microscope (SEM), transmission electron microscopy (TEM), optically and X-ray excited photoluminescence (PL). Several theoretical methods have been used in order to investigate the structural, electronic, optical, elastic, dynamic properties of Eu doped La2Zr2O7. It is observed that Eu: La2Zr2O7 shows an intense red luminescence under 258, 322, 394 and 465 nm excitation. The optical intensity of Eu: La2Zr2O7 depends on the dopant concentration of Eu3+. Following high energy excitation with X-rays, Eu: La2Zr2O7 shows an atypical Eu PL response (scintillation) with a red emission. The intense color emission of Eu obtained under 258 nm excitation, the X-ray induced luminescence property along with reportedly high density of La2Zr2O7, makes these nanomaterials attractive for optical and X-ray applications. The authors thank the support from the Defense Threat Reduction Agency (DTRA) of the U.S. Department of Defense (Award #HDTRA1-10-1-0114).

Zn doped CdO thin films with enhanced linear and third order nonlinear optical properties for optoelectronic applications

NASA Astrophysics Data System (ADS)

Bairy, Raghavendra; Jayarama, A.; Shivakumar, G. K.; Patil, P. S.; Bhat, K. Udaya

2018-04-01

Thin films of undoped and zinc doped CdO have been deposited on glass substrate using spray pyrolysis technique with various dopant concentrations of Zn such as 1, 5 and 10%. Influence of Zn doping on CdO thin films for the structural, morphological, optical and nonlinear optical properties are reported. XRD analysis reveals that as prepared pure and Zn doped CdO films show polycrystalline nature with face centered cubic structure. Also, Zn doping does not significantly modify the crystallinity and not much increase in the crystallite size of the film. SEM images shows grains which are uniform and grain size with increase in dopant concentration. The transmittance of the prepared CdO films recorded in the UV visible spectra and it shows 50 to 60% in the visible region. The estimated optical band gap increases from 2.60 to 2.70 eV for various dopant concentrations. The nonlinear optical absorption of Zn-doped CdO films have been measured used the Z-scan technique at a wavelength 532 nm. The nonlinear optical absorption coefficient (β), nonlinear refractive index (n2) and the third order nonlinear optical susceptibility (χ(3)) of the pure and Zn doped films were determined.

Synthesis and Characterization of Molybdenum Doped ZnO Thin Films by SILAR Deposition Method

NASA Astrophysics Data System (ADS)

Radha, R.; Sakthivelu, A.; Pradhabhan, D.

2016-08-01

Molybdenum (Mo) doped zinc oxide (ZnO) thin films were deposited on the glass substrate by Successive Ionic Layer Adsorption and Reaction (SILAR) deposition method. The effect of Mo dopant concentration of 5, 6.6 and 10 mol% on the structural, morphological, optical and electrical properties of n-type Mo doped ZnO films was studied. The X-ray diffraction (XRD) results confirmed that the Mo doped ZnO thin films were polycrystalline with wurtzite structure. The field emission scanning electron microscopy (FESEM) studies shows that the surface morphology of the films changes with Mo doping. A blue shift of the optical band gap was observed in the optical studies. Effect of Mo dopant concentration on electrical conductivity was studied and it shows comparatively high electrical conductivity at 10 mol% of Mo doping concentration.

Effect of doping on the photocatalytic, electronic and mechanical properties of sol-gel titanium dioxide films

NASA Astrophysics Data System (ADS)

Kurtoglu, Murat

Heterogeneous photocatalysis has been an active research area over the last decade as a promising solution for energy generation and environmental problems which has led to promising applications from air and water purification systems, self-cleaning and self-sterilizing surfaces to solar cells and hydrogen production from water dissociation reaction. Titanium dioxide (TiO2), an abundant material with a high photocatalytic efficiency and chemical stability, is undoubtedly the most widely studied and used among all photocatalytic materials. Although titanium dioxide has been used in powder form, its immobilized form (film) is necessary from practical application standpoint. However, there are several shortcomings of titanium dioxide films that need to be addressed to realize a wide range of successful applications: lack of visible light activity, poisoning of the catalytic performance by the substrate and the low surface area compared to powder forms. In addition, mechanical properties of such films have not been investigated thoroughly, which may be critical when abrasion and weathering resistance are necessary. To address each of these issues, a systematic experimental and theoretical investigation of doping titanium dioxide films with a variety of elements were conducted. Utilizing theoretical calculations to filter elements for experimental studies as well as interpretation of the experimental results, several dopant or dopant combinations were found to remedy some of the issues of photocatalytic titanium dioxide films. Doping with 32 metals, nitrogen and 11 metal-nitrogen combinations are investigated theoretically and the results are used as guideline for the experimental studies. Particular attention is given to certain metal dopants such as Cr, V, Mo, Ta and Ga not just because of their relatively modest cost but also their non-toxicity and wide availability of their compatible compounds for sol-gel synthesis. While metal-dopants improved the overall efficiency and mechanical properties of titanium dioxide films, visible light activity is only achieved with nitrogen and metal-nitrogen doping where some of the metal co-dopants significantly improved the overall photocatalytic efficiency compared to nitrogen-only doped films. In addition, majority of the experimental studies is accompanied by nanoindentation technique to study the effect of doping and calcination on the key mechanical properties of titanium dioxide films. It is shown that good mechanical properties---good photocatalytic activity combinations can be achieved by a choice of appropriate dopant---dopant combinations and coupled with appropriate calcination parameters. Results of the theoretical and experimental investigations led to the development of first commercial photocatalytic tableware glass items which can be utilized under indoor lighting conditions by carefully selecting metal-nitrogen couples for doping of titanium dioxide films.

Electrical Characterization of Thin Film Cadmium Telluride Electrodeposited from Tri-N Telluride

NASA Astrophysics Data System (ADS)

von Windheim, Jesko A.

The electrical transport properties of CdTe electrodeposited from tri-n-butylphosphine telluride have been studied by resistivity and Hall effect measurements. Methods have been developed to reproducibly remove large area samples from their conducting substrates, and these samples were prepared for temperature dependent Hall measurements and resistivity measurements. Apparatus was designed and built to routinely measure Hall voltages as low as 250 muV for source impedances up to 10 ^{12} Omega. The central aspect of the measurement system was a low cost, differential electrometer amplifier designed around the AD549L monolithic electrometer operational amplifier. Temperature control was achieved via a Eurotherm 808 temperature controller, and a cooled stream of nitrogen gas. With this system, temperature could be maintained within +/- 0.5^circC at set points between -40^circC and +40^circC. Data collection, temperature ramping, and power to the magnet were all computer controlled, and resistivity measurements were fully automated. As-annealed electrodeposited CdTe was found to be consistently p-type, with resistivity values typically 10^6- 10^{7 } Omega-cm. Various donor and acceptor dopants have been incorporated into polycrystalline CdTe films by three methods: electrochemical codeposition, electromigration and vapour techniques. The dopants were Cd, Te, Cu, Ag, In, and O_2. The activity of the dopant was dependent on the method that was used for incorporation. Oxygen was found to only have a significant effect when it was incorporated in situ, during deposition. For Cd and Te, on the other hand, little effect was seen when their concentration was varied in situ. However, hole concentration increased substantially when Te was incorporated by diffusion, and a p to n conversion was observed when Cd was incorporated by diffusion. The carrier concentration of p-type CdTe could be systematically increased by increasing the current density for the electromigration of copper. The decreasing carrier concentration was accompanied by a decrease in resistivity and a decrease in mobility. The effect of dopant density on the resistivity of the polycrystalline cadmium telluride films, deposited from tri-n-butylphosphine telluride, can consistently be described by a grain boundary model. In this model charging of grain boundary states results in a barrier and can affect the carrier density. According to the model, dopants accumulated at grain boundaries do not generate carriers and do not affect the density of interface states.

DBR laser with nondynamic plasma grating formed by focused ion beam implanted dopants

NASA Technical Reports Server (NTRS)

Boenke, Myra M.; Wu, M. C.; Wang, Shyh; Clark, William M., Jr.; Stevens, Eugene H.

1989-01-01

A static plasma grating has been demonstrated experimentally (Wu et al., 1988) in a large-optical-cavity focused-ion-beam-distributed-Bragg-reflector (FIB-DBR) GaAlAs/GaAs laser diode. The grating is formed by implanting stripes of dopants with a focused ion beam. The dopants ionize to form periodic fluctuations in the carrier concentration which, through the Kramers-Kronig relations, form an index grating. A model of the grating strength for optimizaton of the laser design is developed and presented. The computed results show that the coupling coefficient k can be increased by more than an order of magnitude over the 15/cm experimentally. Therefore, FIB-DBR or FIB-distributed-feedback (DFB) lasers with performance comparable to that of conventional DBR (or DFB) lasers can be expected.

Evaluation of CO2 and CO dopants in hydrogen to reduce hydrogen permeation in the Stirling engine heater head tube alloy CG-27

NASA Technical Reports Server (NTRS)

Misencik, J. A.

1983-01-01

Tubes of CG-27 alloy, filled with hydrogen doped with various amounts of carbon dioxide and carbon monoxide, were heated in a diesel fuel fired Stirling engine simulator materials test rig for 100 hours at 820 C and at a gas pressure of 15 MPa to determine the effectiveness of the dopants in reducing hydrogen permeation through the hot tube wall. This was done for clean as-heat treated tubes and also for tubes that had previously been exposed for 100 hours to hydrogen doped with 1.0 volume percent carbon dioxide to determine if the lower levels of dopant could maintain a low hydrogen permeation through the hot tube wall. Carbon dioxide, as a dopant in hydrogen, was most effective in reducing hydrogen permeation through clean tubes and in maintaining low hydrogen permeation after prior exposure to 1.0 volume percent carbon dioxide. Only the lowest level of carbon dioxide (0.05 volume percent) was not as effective in the clean or prior exposed tubes. Carbon monoxide as a dopant in hydrogen was less effective than carbon dioxide at a given concentration level. Of the four dopant levels studied; 1.0, 0.5, 0.2, and 0.05 volume percent carbon monoxide, only the 1.0 and 0.5 volume percent were effective in reducing and maintaining low hydrogen permeation through the CG-27.

Reaction of N,N'-dimethylformamide and divalent viologen molecule to generate an organic dopant for molybdenum disulfide

NASA Astrophysics Data System (ADS)

Fukui, A.; Miura, K.; Ichimiya, H.; Tsurusaki, A.; Kariya, K.; Yoshimura, T.; Ashida, A.; Fujimura, N.; Kiriya, D.

2018-05-01

Tuning the carrier concentration is essential for semiconducting materials to apply optoelectronic devices. Molybdenum disulfide (MoS2) is a semiconducting material composed of atomically thin (˜0.7 nm thickness) layers. To dope thin MoS2, instead of using conventional atom/ion injection processes, a surface charge transfer method was successfully applied. In this study, we report a simple preparation method of a molecular dopant applicable to the doping process. The method follows a previous report for producing a molecular dopant, benzyl viologen (BV) which shows electron doping to MoS2. To prepare dopant BV molecules, a reduction process with a commercially available divalent BV by sodium borohydride (NaBH4) is required; however, the reaction requires a large consumption of NaBH4. NaBH4 drastically reacts with the solvent water itself. We found a reaction process of BV in an organic solvent, N,N'-dimethylformamide (DMF), by adding a small amount of water dissolving the divalent BV. The reaction is mild (at room temperature) and is autonomous once DMF comes into contact with the divalent BV aqueous solution. The reaction can be monitored with a UV-Vis spectrometer, and kinetic analysis indicates two reaction steps between divalent/monovalent/neutral viologen isomers. The product was soluble in toluene and did not dissolve in water, indicating it is similar to the reported dopant BV. The synthesized molecule was found to act as a dopant for MoS2 by applying a metal-oxide-semiconductor field-effect-transistor (MOSFET) structure. The process is a general method and applicable to other viologen-related dopants to tune the electronic structure of 2D materials to facilitate generating atomically thin devices.

Investigation of iodine dopant amount effects on dye-sensitized hierarchically structured ZnO solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zheng, Yan-Zhen; Research Center of the Ministry of Education for High Gravity Engineering and Technology, Beijing University of Chemical Technology, Beijing 100029; Ding, Haiyang

2014-07-01

Highlights: • The effect of I amount on the photovoltaic performance was investigated. • The enhancement in η of ZnO:I DSSCs was from 38% to 77% compared with ZnO DSSCs. • Appropriate I doping enhanced light harness and inhibited charge recombination. - Abstract: We prepare a series of iodine doped zinc oxide monodisperse aggregates (ZnO:I) with various iodine concentrations as the photoanodes of dye-sensitized solar cells (DSSCs) to study iodine dopant amount-dependent photovoltaic performance. The iodine-doped DSSCs achieve overall conversion efficiency (η) of 3.6–4.6%. The enhancement in η of ZnO:I DSSCs is from 38% to 77% as compared to undopedmore » ZnO DSSCs. The significantly enhanced η of DSSCs is found to be correlated with iodine dopant amount. The optimum iodine dopant amount is determined to be 2.3 wt% by X-ray photoelectron spectroscopy. Furthermore, the incident photon to current conversion efficiency and electrochemical impedance spectroscopy data reveal a systematic correlation between photovoltaic properties and the iodine dopant amount. The enhancement of open-circuit potential of ZnO:I cells is arising from negative shift of their flat-band potential, as demonstrated by Mott–Schottky measurement.« less

Effect of Dopant Activation on Device Characteristics of InGaN-based Light Emitting Diodes

NASA Astrophysics Data System (ADS)

Lacroce, Nicholas; Liu, Guangyu; Tan, Chee-Keong; Arif, Ronald A.; Lee, Soo Min; Tansu, Nelson

2015-03-01

Achieving high uniformity in growths and device characteristics of InGaN-based light-emitting diodes (LEDs) is important for large scale manufacturing. Dopant activation and maintaining control of variables affecting dopant activation are critical steps in the InGaN-based light emitting diodes (LEDs) fabrication process. In the epitaxy of large scale production LEDs, in-situ post-growth annealing is used for activating the Mg acceptor dopant in the p-AlGaN and p-GaN of the LEDs. However, the annealing temperature varies with respect to position in the reactor chamber, leading to severe uniform dopant activation issue across the devices. Thus, it is important to understand how the temperature gradient and the resulting variance in Mg acceptor activation will alter the device properties. In this work, we examine the effect of varying p-type doping levels in the p-GaN layers and AlGaN electron blocking layer of the GaN LEDs on the optoelectronic properties including the band profile, carrier concentration, current density, output power and quantum efficiency. By understanding the variations and its effect, the identification of the most critical p-type doping layer strategies to address this variation will be clarified.

Dopant-assisted direct analysis in real time mass spectrometry with argon gas.

PubMed

Cody, Robert B; Dane, A John

2016-05-30

Dopants used with Atmospheric Pressure Photoionization (APPI) were examined with the Direct Analysis in Real Time (DART ® ) ion source operated with argon gas. Charge-exchange and proton transfer reactions were observed by adding toluene, anisole, chlorobenzene and acetone to the DART gas stream, complementing the information obtained by helium DART. Mass spectra were acquired with a time-of-flight mass spectrometer equipped with a DART ion source operated with argon gas. A syringe pump was used to introduce dopants directly into the DART gas stream through deactivated fused-silica capillary tubing. Samples including polycyclic aromatic hydrocarbons (PAHs), diesel fuel, trinitrotoluene and cannabinoids were deposited onto the sealed end of melting tube, allowed to dry, and the tube was then suspended in the dopant-enhanced DART gas stream. PAHs could be detected as molecular ions at concentrations in the low parts-per-billion range by using a solution of 0.5% anisole in toluene as a dopant. Argon DART analysis of a diesel fuel sample with the same dopant mixture showed a simpler mass spectrum than obtained by using helium DART. The argon DART mass spectrum was dominated by molecular ions for aromatic compounds, whereas the helium DART mass spectrum showed both molecular ions and protonated molecules. In contrast O 2 - attachment DART showed saturated hydrocarbons and oxygen-containing species. Mass spectra for trinitrotoluene with argon DART in negative-ion mode showed a prominent [M - H] - peak, whereas conventional helium DART showed both M - and [M - H] - . Lastly, in analogy to a report in the literature using APPI, positive ions produced by argon DART ionization for delta-9-tetrahydrocannabinol (THC) and cannabidiol showed distinctive product-ion mass spectra. Dopant-assisted argon DART operates by a mechanism that is analogous to those proposed for dopant-assisted atmospheric-pressure photoionization. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Growth of rare-earth doped single crystal yttrium aluminum garnet fibers

NASA Astrophysics Data System (ADS)

Bera, Subhabrata; Nie, Craig D.; Harrington, James A.; Cheng, Long; Rand, Stephen C.; Li, Yuan; Johnson, Eric G.

2018-02-01

Rare-earth doped single crystal (SC) yttrium aluminum garnet (YAG) fibers have great potential as high-power laser gain media. SC fibers combine the superior material properties of crystals with the advantages of a fiber geometry. Improving processing techniques, growth of low-loss YAG SC fibers have been reported. A low-cost technique that allows for the growth of optical quality Ho:YAG single crystal (SC) fibers with different dopant concentrations have been developed and discussed. This technique is a low-cost sol-gel based method which offers greater flexibility in terms of dopant concentration. Self-segregation of Nd ions in YAG SC fibers have been observed. Such a phenomenon can be utilized to fabricate monolithic SC fibers with graded index.

Synergistic effect of sodium and yeast in improving the efficiency of DSSC sensitized with extract from petals of Kigelia Africana

NASA Astrophysics Data System (ADS)

Shalini, S.; Balasundaraprabhu, R.; Satish Kumar, T.; Sivakumaran, K.; Kannan, M. D.

2018-05-01

TiO2 nanostructures with two different dopants, sodium and yeast have been successfully synthesized by hydrothermal method. Doping sodium is found to extend the absorbance of TiO2 into the visible region as well as it acts as mordant in fixing and improving the absorption of dye. Yeast, as a dopant, can help in absorption of more anthocyanins from the natural dye extract by TiO2 and also aids in retaining the colour of the dye and increases the stability of the dye at varying pH. Anthocyanins are the major class of pigment present in the newly addressed maroon, velvety and trumpet shaped flower "Kigelia Africana". X-ray diffraction analysis revealed the formation of rutile phase for all the samples. Field Emission Scanning Electron microscopy images revealed the formation of nanorods and nanoflowers with change in dopant as well as their concentration. The photoelectric conversion efficiency of DSSC with undoped TiO2 photoelectrode is 0.87% and DSSC with 6% Na doped TiO2 photoelectrode is 1.56%. The efficiency of DSSC with 6% Na+6% yeast doped TiO2 photoelectrode is found to increase from 2.09% (DSSC with 6% Na+4% yeast doped TiO2 photoelectrode) to 2.31% on varying the dopant concentration. Doping is also found to increase the dye absorption and superior charge transport efficiency which in turn helps to improve the performance of DSSC.

Concentration transient analysis of antimony surface segregation during Si(100) molecular beam epitaxy

NASA Technical Reports Server (NTRS)

Markert, L. C.; Greene, J. E.; Ni, W.-X.; Hansson, G. V.; Sundgren, J.-E.

1991-01-01

Antimony surface segregation during Si(100) molecular beam epitaxy (MBE) was investigated at temperatures T(sub s) = 515 - 800 C using concentration transient analysis (CTA). The dopant surface coverage Theta, bulk fraction gamma, and incorporation probability sigma during MBE were determined from secondary-ion mass spectrometry depth profiles of modulation-doped films. Programmed T(sub s) changes during growth were used to trap the surface-segregated dopant overlayer, producing concentration spikes whose integrated area corresponds to Theta. Thermal antimony doping by coevaporation was found to result in segregation strongly dependent on T(sub s) with Theta(sub Sb) values up to 0.9 monolayers (ML): in films doped with Sb(+) ions accelerated by 100 V, Theta(sub Sb) was less than or equal to 4 x 10(exp -3) ML. Surface segregation of coevaporated antimony was kinematically limited for the film growth conditions in these experiments.

Acoustic phonon spectrum engineering in bulk crystals via incorporation of dopant atoms

NASA Astrophysics Data System (ADS)

Kargar, Fariborz; Penilla, Elias H.; Aytan, Ece; Lewis, Jacob S.; Garay, Javier E.; Balandin, Alexander A.

2018-05-01

We report results of Brillouin—Mandelstam spectroscopy of transparent Al2O3 crystals with Nd dopants. The ionic radius and atomic mass of Nd atoms are distinctively different from those of the host Al atoms. Our results show that even a small concentration of Nd atoms incorporated into the Al2O3 samples produces a profound change in the acoustic phonon spectrum. The velocity of the transverse acoustic phonons decreases by ˜600 m/s at the Nd density of only ˜0.1%. Interestingly, the decrease in the phonon frequency and velocity with the doping concentration is non-monotonic. The obtained results, demonstrating that modification of the acoustic phonon spectrum can be achieved not only by traditional nanostructuring but also by low-concentration doping, have important implications for thermal management as well as thermoelectric and optoelectronic devices.

Theoretical analysis of photon statistics on excited number of modes and dopant concentration in Er3+:Ti:LiNbO, waveguide amplifiers

NASA Astrophysics Data System (ADS)

Ducariu, A.; Constantin, G. C.; Puscas, N. N.

2005-08-01

In the small gain approximation and the unsaturated regime in this paper we report some original results concerning the evaluation of the Fano factor, statistical fluctuation and spontaneous emission factor which characterize the photon statistics on the number of excited modes, dopant concentration and power pumping in the single and double pass Er3+ - doped LiNbO, straight waveguide amplifiers pumped near 1484 nm using erfc, Gaussian and constant profile of the Er3+ ions in LiNbO, crystal. We demonstrated that for 50 mW input pump power the Poisson photon statistics are maintained in the above mentioned amplifiers for concentrations of the Er ions smaller than l026 m-3 and also high gains and low noise figures are achievable. The obtained results can be used for the design of optoelectronic integrated circuits.

Nanoscale doping of compound semiconductors by solid phase dopant diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, Jaehyun, E-mail: jaehyun.ahn@utexas.edu; Koh, Donghyi; Roy, Anupam

2016-03-21

Achieving damage-free, uniform, abrupt, ultra-shallow junctions while simultaneously controlling the doping concentration on the nanoscale is an ongoing challenge to the scaling down of electronic device dimensions. Here, we demonstrate a simple method of effectively doping ΙΙΙ-V compound semiconductors, specifically InGaAs, by a solid phase doping source. This method is based on the in-diffusion of oxygen and/or silicon from a deposited non-stoichiometric silicon dioxide (SiO{sub x}) film on InGaAs, which then acts as donors upon activation by annealing. The dopant profile and concentration can be controlled by the deposited film thickness and thermal annealing parameters, giving active carrier concentration ofmore » 1.4 × 10{sup 18 }cm{sup −3}. Our results also indicate that conventional silicon based processes must be carefully reviewed for compound semiconductor device fabrication to prevent unintended doping.« less

Effects of Dopant Ionic Radius on Cerium Reduction in Epitaxial Cerium Oxide Thin Films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Nan; Orgiani, Pasquale; Di Bartolomeo, Elisabetta

The role of trivalent rare-earth dopants in ceria epitaxial films on surface ion exchange reactivity and ion conductivity has been systematically studied. Single-crystal epitaxial films with unique crystal orientation and micro-structure nature have allowed us to rule out the influence of structural defects on both transport and surface ion exchange properties. The films conductivities were larger than those reported in literature for both polycrystalline ceramic pellets and crystalline films. An increase in oxygen vacancies and Ce 3+ concentration while decreasing the dopant ionic radius from La 3+ to Yb 3+ was observed, thus explaining the measured increased activation energy andmore » enhanced surface reactivity. The more significant ability of smaller dopant ionic radius in releasing the stress strength induced by the larger Ce 3+ ionic radius allows promoting the formation of oxygen vacancies and Ce 3+, which are two precious species in determining the efficiency of ion transport and surface ion exchange processes. This can open new perspectives in designing ceria-based materials in tailoring functional properties, either ion migration or surface reactivity, by rational cation substitutions.« less

The Origin of Improved Electrical Double-Layer Capacitance by Inclusion of Topological Defects and Dopants in Graphene for Supercapacitors.

PubMed

Chen, Jiafeng; Han, Yulei; Kong, Xianghua; Deng, Xinzhou; Park, Hyo Ju; Guo, Yali; Jin, Song; Qi, Zhikai; Lee, Zonghoon; Qiao, Zhenhua; Ruoff, Rodney S; Ji, Hengxing

2016-10-24

Low-energy density has long been the major limitation to the application of supercapacitors. Introducing topological defects and dopants in carbon-based electrodes in a supercapacitor improves the performance by maximizing the gravimetric capacitance per mass of the electrode. However, the main mechanisms governing this capacitance improvement are still unclear. We fabricated planar electrodes from CVD-derived single-layer graphene with deliberately introduced topological defects and nitrogen dopants in controlled concentrations and of known configurations, to estimate the influence of these defects on the electrical double-layer (EDL) capacitance. Our experimental study and theoretical calculations show that the increase in EDL capacitance due to either the topological defects or the nitrogen dopants has the same origin, yet these two factors improve the EDL capacitance in different ways. Our work provides a better understanding of the correlation between the atomic-scale structure and the EDL capacitance and presents a new strategy for the development of experimental and theoretical models for understanding the EDL capacitance of carbon electrodes. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The effect of shallow vs. deep level doping on the performance of thermoelectric materials

NASA Astrophysics Data System (ADS)

Song, Qichen; Zhou, Jiawei; Meroueh, Laureen; Broido, David; Ren, Zhifeng; Chen, Gang

2016-12-01

It is well known that the efficiency of a good thermoelectric material should be optimized with respect to doping concentration. However, much less attention has been paid to the optimization of the dopant's energy level. Thermoelectric materials doped with shallow levels may experience a dramatic reduction in their figures of merit at high temperatures due to the excitation of minority carriers that reduces the Seebeck coefficient and increases bipolar heat conduction. Doping with deep level impurities can delay the excitation of minority carriers as it requires a higher temperature to ionize all dopants. We find through modeling that, depending on the material type and temperature range of operation, different impurity levels (shallow or deep) will be desired to optimize the efficiency of a thermoelectric material. For different materials, we further clarify where the most preferable position of the impurity level within the bandgap falls. Our research provides insight on why different dopants often affect thermoelectric transport properties differently and directions in searching for the most appropriate dopants for a thermoelectric material in order to maximize the device efficiency.

Structure-property-composition relationships in doped zinc oxides: enhanced photocatalytic activity with rare earth dopants.

PubMed

Goodall, Josephine B M; Illsley, Derek; Lines, Robert; Makwana, Neel M; Darr, Jawwad A

2015-02-09

In this paper, we demonstrate the use of continuous hydrothermal flow synthesis (CHFS) technology to rapidly produce a library of 56 crystalline (doped) zinc oxide nanopowders and two undoped samples, each with different particle properties. Each sample was produced in series from the mixing of an aqueous stream of basic zinc nitrate (and dopant ion or modifier) solution with a flow of superheated water (at 450 °C and 24.1 MPa), whereupon a crystalline nanoparticle slurry was rapidly formed. Each composition was collected in series, cleaned, freeze-dried, and then characterized using analytical methods, including powder X-ray diffraction, transmission electron microscopy, Brunauer-Emmett-Teller surface area measurement, X-ray photoelectron spectroscopy, and UV-vis spectrophotometry. Photocatalytic activity of the samples toward the decolorization of methylene blue dye was assessed, and the results revealed that transition metal dopants tended to reduce the photoactivity while rare earth ions, in general, increased the photocatalytic activity. In general, low dopant concentrations were more beneficial to having greater photodecolorization in all cases.

CMOS-compatible method for doping of buried vertical polysilicon structures by solid phase diffusion

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turkulets, Yury; Department of Electrical and Computer Engineering, Ben Gurion University of the Negev, Beer-Sheva 8410501; Silber, Amir

2016-03-28

Polysilicon receives attention nowadays as a means to incorporate 3D-structured photonic devices into silicon processes. However, doping of buried layers of a typical 3D structure has been a challenge. We present a method for doping of buried polysilicon layers by solid phase diffusion. Using an underlying silicon oxide layer as a dopant source facilitates diffusion of dopants into the bottom side of the polysilicon layer. The polysilicon is grown on top of the oxide layer, after the latter has been doped by ion implantation. Post-growth heat treatment drives in the dopant from the oxide into the polysilicon. To model themore » process, we studied the diffusion of the two most common silicon dopants, boron (B) and phosphorus (P), using secondary ion mass spectroscopy profiles. Our results show that shallow concentration profiles can be achieved in a buried polysilicon layer using the proposed technique. We present a quantitative 3D model for the diffusion of B and P in polysilicon, which turns the proposed method into an engineerable technique.« less

Effects of Dopant Ionic Radius on Cerium Reduction in Epitaxial Cerium Oxide Thin Films

DOE PAGES

Yang, Nan; Orgiani, Pasquale; Di Bartolomeo, Elisabetta; ...

2017-04-17

The role of trivalent rare-earth dopants in ceria epitaxial films on surface ion exchange reactivity and ion conductivity has been systematically studied. Single-crystal epitaxial films with unique crystal orientation and micro-structure nature have allowed us to rule out the influence of structural defects on both transport and surface ion exchange properties. The films conductivities were larger than those reported in literature for both polycrystalline ceramic pellets and crystalline films. An increase in oxygen vacancies and Ce 3+ concentration while decreasing the dopant ionic radius from La 3+ to Yb 3+ was observed, thus explaining the measured increased activation energy andmore » enhanced surface reactivity. The more significant ability of smaller dopant ionic radius in releasing the stress strength induced by the larger Ce 3+ ionic radius allows promoting the formation of oxygen vacancies and Ce 3+, which are two precious species in determining the efficiency of ion transport and surface ion exchange processes. This can open new perspectives in designing ceria-based materials in tailoring functional properties, either ion migration or surface reactivity, by rational cation substitutions.« less

Flat-plate solar array project process development area process research of non-CZ silicon material

NASA Technical Reports Server (NTRS)

1985-01-01

Three sets of samples were laser processed and then cell processed. The laser processing was carried out on P-type and N-type web at laser power levels from 0.5 joule/sq cm to 2.5 joule/sq cm. Six different liquid dopants were tested (3 phosphorus dopants, 2 boron dopants, 1 aluminum dopant). The laser processed web strips were fabricated into solar cells immediately after laser processing and after various annealing cycles. Spreading resistance measurements made on a number of these samples indicate that the N(+)P (phosphorus doped) junction is approx. 0.2 micrometers deep and suitable for solar cells. However, the P(+)N (or P(+)P) junction is very shallow ( 0.1 micrometers) with a low surface concentration and resulting high resistance. Due to this effect, the fabricated cells are of low efficiency. The maximum efficiency attained was 9.6% on P-type web after a 700 C anneal. The main reason for the low efficiency was a high series resistance in the cell due to a high resistance back contact.

2D coherent charge transport in highly ordered conducting polymers doped by solid state diffusion

NASA Astrophysics Data System (ADS)

Kang, Keehoon; Watanabe, Shun; Broch, Katharina; Sepe, Alessandro; Brown, Adam; Nasrallah, Iyad; Nikolka, Mark; Fei, Zhuping; Heeney, Martin; Matsumoto, Daisuke; Marumoto, Kazuhiro; Tanaka, Hisaaki; Kuroda, Shin-Ichi; Sirringhaus, Henning

2016-08-01

Doping is one of the most important methods to control charge carrier concentration in semiconductors. Ideally, the introduction of dopants should not perturb the ordered microstructure of the semiconducting host. In some systems, such as modulation-doped inorganic semiconductors or molecular charge transfer crystals, this can be achieved by spatially separating the dopants from the charge transport pathways. However, in conducting polymers, dopants tend to be randomly distributed within the conjugated polymer, and as a result the transport properties are strongly affected by the resulting structural and electronic disorder. Here, we show that in the highly ordered lamellar microstructure of a regioregular thiophene-based conjugated polymer, a small-molecule p-type dopant can be incorporated by solid state diffusion into the layers of solubilizing side chains without disrupting the conjugated layers. In contrast to more disordered systems, this allows us to observe coherent, free-electron-like charge transport properties, including a nearly ideal Hall effect in a wide temperature range, a positive magnetoconductance due to weak localization and the Pauli paramagnetic spin susceptibility.

Method to remove ammonia using a proton-conducting ceramic membrane

DOEpatents

Balachandran, Uthamalinga; Bose, Arun C

2003-10-07

An apparatus and method for decomposing NH.sub.3. A fluid containing NH.sub.3 is passed in contact with a tubular membrane that is a homogeneous mixture of a ceramic and a first metal, with the ceramic being selected from one or more of a cerate having the formula of M'Ce.sub.1-x M".sub.3-.delta., zirconates having the formula M'Zr.sub.1-x M"O.sub.3-.delta., stannates having the formula M'Sn.sub.1-x M'O.sub.3-.delta., where M' is a group IIA metal, M" is a dopant metal of one or more of Ca, Y, Yb, In, Nd, Gd or mixtures thereof and .delta. is a variable depending on the concentration of dopant and is in the range of from 0.001 to 0.5, the first metal is a group VIII or group IB element selected from the group consisting of Pt, Ag, Pd, Fe, Co, Cr, Mn, V, Ni, Au, Cu, Rh, Ru and mixtures thereof. The tubular membrane has a catalytic metal on the side thereof in contact with the fluid containing NH.sub.3 which is effective to cause NH.sub.3 to decompose to N.sub.2 and H.sub.2. When the H.sub.2 contacts the membrane H.sup.+ ions are formed which pass through the membrane driving the NH.sub.3 decomposition toward completion.

Nondestructive imaging of atomically thin nanostructures buried in silicon

PubMed Central

Gramse, Georg; Kölker, Alexander; Lim, Tingbin; Stock, Taylor J. Z.; Solanki, Hari; Schofield, Steven R.; Brinciotti, Enrico; Aeppli, Gabriel; Kienberger, Ferry; Curson, Neil J.

2017-01-01

It is now possible to create atomically thin regions of dopant atoms in silicon patterned with lateral dimensions ranging from the atomic scale (angstroms) to micrometers. These structures are building blocks of quantum devices for physics research and they are likely also to serve as key components of devices for next-generation classical and quantum information processing. Until now, the characteristics of buried dopant nanostructures could only be inferred from destructive techniques and/or the performance of the final electronic device; this severely limits engineering and manufacture of real-world devices based on atomic-scale lithography. Here, we use scanning microwave microscopy (SMM) to image and electronically characterize three-dimensional phosphorus nanostructures fabricated via scanning tunneling microscope–based lithography. The SMM measurements, which are completely nondestructive and sensitive to as few as 1900 to 4200 densely packed P atoms 4 to 15 nm below a silicon surface, yield electrical and geometric properties in agreement with those obtained from electrical transport and secondary ion mass spectroscopy for unpatterned phosphorus δ layers containing ~1013 P atoms. The imaging resolution was 37 ± 1 nm in lateral and 4 ± 1 nm in vertical directions, both values depending on SMM tip size and depth of dopant layers. In addition, finite element modeling indicates that resolution can be substantially improved using further optimized tips and microwave gradient detection. Our results on three-dimensional dopant structures reveal reduced carrier mobility for shallow dopant layers and suggest that SMM could aid the development of fabrication processes for surface code quantum computers. PMID:28782006

Photoluminescence from trivalent-cerium-doped silica glass prepared by sol-gel method with aluminum co-dopant

NASA Astrophysics Data System (ADS)

Tokumitsu, Seika; Murakami, Yukon; Oda, Hisaya; Kawabe, Yutaka

2018-01-01

Trivalent cerium is an important luminescent center giving light emission in short wavelength region depending on host materials. Sol-gel formed silica glass is an ideal matrix due to its high transparency, robustness, and low-temperature processability, but the emission from cerium in silica matrix is often mixed up with that from defects in the matrix, making it difficult to obtain well-determined characteristics. Bright emission from Ce ions peaking at about 400 nm was observed in sol-gel silica glasses synthesized with aluminum co-dopant. From luminescence decay time, the origin was confirmed to be d-f transition in trivalent Ce. From dependence of emission characteristics and UV absorbance on aluminum concentration, it was found that the co-dopant plays an important role to convert the optically inactive tetravalent ions to emissive trivalent state.

Properties of single-layer graphene with supercell doped by one defect only

NASA Astrophysics Data System (ADS)

Wang, Zongguo; Qin, Shaojing; Wang, Chuilin

2017-10-01

Graphene has vast promising applications in nanoelectronics and spintronics because of its unique magnetic and electronic properties. Making use of an ab initio spin-polarized density functional theory, implemented by the method of the Heyd-Scuseria-Ernzerhof 06 (HSE06) hybrid functional, the properties of various defect dopants in a supercell of a semi-metal monolayer graphene were investigated. We found from our calculation that introducing one defect dopant in a supercell would break the spin sublattice symmetry, and will induce a magnetic state at some appropriate doping concentrations. This paper systematically analyzes the magnetic effects of three types of defects on graphene, that is, vacancy, substitutional dopant and adatoms. Different types of defects will induce various new properties in graphene. The energies and electronic properties of these three types of defects were also calculated.

X-ray absorption fine structure and X-ray excited optical luminescence studies of II-VI semiconducting nanostructures

NASA Astrophysics Data System (ADS)

Murphy, Michael Wayne

2010-06-01

Various II-VI semiconducting nanomaterials such as ZnO-ZnS nanoribbons (NRs), CdSxSe1-x nanostructures, ZnS:Mn NRs, ZnS:Mn,Eu nanoprsims (NPs), ZnO:Mn nanopowders, and ZnO:Co nanopowders were synthesized for study. These materials were characterized by techniques such as scanning electron microscopy, transmission electron microscopy, element dispersive X-ray spectroscopy, selected area electron diffraction, and X-ray diffraction. The electronic and optical properties of these nanomaterials were studied by X-ray absorption fine structure (XAFS) spectroscopy and X-ray excited optical luminescence (XEOL) techniques, using tuneable soft X-rays from a synchrotron light source. The complementary nature ofthe XAFS and XEOL techniques give site, element and chemical specific measurements which allow a better understanding of the interplay and role of each element in the system. Chemical vapour deposition (CVD) of ZnS powder in a limited oxygen environment resulted in side-by-side biaxial ZnO-ZnS NR heterostructures. The resulting NRs contained distinct wurtzite ZnS and wurtzite ZnO components with widths of 10--100 nm and 20 --500 nm, respectively and a uniform interface region of 5-15 nm. XAFS and XEOL measurements revealed the luminescence of ZnO-ZnS NRs is from the ZnO component. The luminescence of CdSxSe1-x nanostructures is shown to be dependent on the S to Se ratio, with the band-gap emission being tunable between that of pure CdS and CdSe. Excitation of the CdSxSe 1-x nanostructures by X-ray in XEOL has revealed new de-excitation channels which show a defect emission band not seen by laser excitation. CVD of Mn2+ doped ZnS results in nanostructures with luminescence dominated by the yellow Mn2+ emission due to energy transfer from the ZnS host to the Mn dopant sites. The addition of EuCl3 to the reactants in the CVD process results in a change in morphology from NR to NP. Zn1-xMnxO and Zn1-xCOxO nanopowders were prepared by sol-gel methods at dopant concentrations of 0, 1,3, and 10% and annealed at 400, 600 and 800°C in air. XAFS spectra show that low dopant concentrations and low processing temperatures limit the amount of secondary phase formation. The nanopowders did not show roomtemperature ferromagnetism and increased secondary phase formation increases the paramagnetic character of the hysteresis curves at 5°K. Keywords: X-ray absorption fine structures (XAFS), X-ray absorption near-edge structures (XANES), extended X-ray absorption fine structure (EXAFS), X-ray absorption spectroscopy(XAS), X-ray excited optical luminescence (XEOL), time-resolved, II-VI semiconductors, nanostructure, nanomaterial, nanoribbon, nanowire, nanopartic1e, heterostructure, ZnO, ZnS, ZnO-ZnS, CdS, CdSe, CdSSe, ZnO:Mn, ZnO:Co, ZnS:Mn, dilute magnetic semiconductor (DMS), dilute magnetic oxide (DMO), spintronics, magnetism, paramagnetism, ferromagnetism.

Effects of anhydrous AlCl3 dopant on the structural, optical and electrical properties of PVA-PVP polymer composite films

NASA Astrophysics Data System (ADS)

Shanmugam, G.; Krishnakumar, V.

2018-05-01

Polymer composite films based on PVA-PVP with AlCl3 as the dopant at different concentrations were prepared using solution casting technique. XRD patterns reveal the increase in amorphousity of the films with AlCl3 doping. Optical absorption studies exhibit that the values of optical absorption coefficient, direct and indirect optical band gaps are found to decrease with increase in AlCl3 concentration. It confirms the charge transfer in complexes between the polymer and the dopant. The dielectric studies show the increase in dielectric constant at low frequency with increasing AlCl3 concentration and temperature. The ac conductivity and ionic conductivity increase with the AlCl3 content and the maximum value at room temperature is found to be 6.89 × 10-4 and 8.05 × 10-5 S/cm for higher AlCl3 doped PVA-PVP film. The estimated ionic conductivity value is three or four orders of magnitude greater than those obtained in the certain representative polymer-salt complexes as reported earlier. Electrical modulus plots confirm the removal of electrode polarization and the low conductivity relaxation time with Al doping. The activation energy estimated from the temperature dependent dc conductivity plot is agreed well with the migration energy calculated from the temperature dependent electric modulus plot.

The physical properties of Li-doped g-C{sub 3}N{sub 4} monolayer sheet investigated by the first-principles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ruan, Linwei; Xu, Gengsheng; Gu, Lina

2015-06-15

Highlights: • Systematically research on Li-doped g-C{sub 3}N{sub 4} monolayer sheets by first-principles calculation. • Optimal dopant concentration for optical absorption is 7.12%. • Thermodynamics stability of the doped substrate g-C{sub 3}N{sub 4} decreased with Li dopant concentration increasing. • The values of work function Φ decreased monotonously with the increasing of Li dopant concentration. - Abstract: The geometric, electronic, optical properties, thermodynamic stability, and work function of Li-doped g-C{sub 3}N{sub 4} monolayer were investigated by the first-principles calculation. It was found that the Li atoms were preferentially substituted the open-hollow sites of g-C{sub 3}N{sub 4}. Interestingly, the “odd” numbermore » of Li doped g-C{sub 3}N{sub 4} showed metallic properties, while the “even” number of Li atoms widened the band gap of g-C{sub 3}N{sub 4}. The HOMO and LUMO distributions reveal that the active sites located at edge N and C atoms for both pristine and the Li-doped g-C{sub 3}N{sub 4}. In addition, thermodynamic analysis showed that the doped Li atoms reduced the thermodynamic stability of g-C{sub 3}N{sub 4} monolayer sheets.« less

A comparative study of the magnetization in transition metal ion doped CeO2, TiO2 and SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Apostolov, A. T.; Apostolova, I. N.; Wesselinowa, J. M.

2018-05-01

Using the microscopic s-d model taking into account anharmonic spin-phonon interactions we have studied the magnetic properties of Co and Cu ion doped CeO2 and TiO2 nanoparticles and compared them with those of SnO2. By Co-doping there is a maximum in the magnetization M(x) curve for all nanoparticles observed in the most transition metal doped ones. The s-d interaction plays an important role by the decrease of M at higher dopant concentration. We have discussed the magnetization in dependence of different model parameters. By small Cu-ion doping there are some differences. In CeO2M decreases with the Cu-concentration, whereas in TiO2 and SnO2M increases. For higher Cu dopant concentrations M(X) decreases in TiO2 nanoparticles. We obtain room temperature ferromagnetism also in Zn doped CeO2, TiO2 and SnO2 nanoparticles, i.e. in non-transition metal ion doped ones. The different behavior of M in Co and Cu doped nanoparticles is due to a combination effect of multivalent metal ions, oxygen vacancies, different radius of cation dopants, connection between lattice and magnetism, as well as competition between the s-d and d-d ferromagnetic or antiferromagnetic interactions.

Growth and characterization of pure and glycine doped cadmium thiourea sulphate (GCTS) crystals

NASA Astrophysics Data System (ADS)

Lawrence, M.; Thomas Joseph Prakash, J.

2012-06-01

The pure and glycine doped cadmium thiourea sulphate (GCTS) single crystals were grown successfully by slow evaporation method at room temperature. The concentration of dopant in the mother solution was 1 mol%. There is a change in unit cell. The Fourier transform infrared spectroscopy study confirms the incorporation of glycine into CTS crystal. The doped crystals are optically better and more transparent than the pure ones. The dopant increases the hardness value of the material. The grown crystals were also subjected to thermal and NLO studies.

Behavior of a chemically doped graphene junction

NASA Astrophysics Data System (ADS)

Farmer, Damon B.; Lin, Yu-Ming; Afzali-Ardakani, Ali; Avouris, Phaedon

2009-05-01

Polyethylene imine and diazonium salts are used as complementary molecular dopants to engineer a doping profile in a graphene transistor. Electronic transport in this device reveals the presence of two distinct resistance maxima, alluding to neutrality point separation and subsequent formation of a spatially abrupt junction. Carrier mobility in this device is not significantly affected by molecular doping or junction formation, and carrier transmission is found to scale inversely with the effective channel length of the device. Chemical dilutions are used to modify the dopant concentration and, in effect, alter the properties of the junction.

The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT).

PubMed

Slouka, Christoph; Kainz, Theresa; Navickas, Edvinas; Walch, Gregor; Hutter, Herbert; Reichmann, Klaus; Fleig, Jürgen

2016-11-22

The different properties of acceptor-doped (hard) and donor-doped (soft) lead zirconate titanate (PZT) ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La 3+ donor-doped, Fe 3+ acceptor-doped and La 3+ /Fe 3+ -co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT.

The Effect of Acceptor and Donor Doping on Oxygen Vacancy Concentrations in Lead Zirconate Titanate (PZT)

PubMed Central

Slouka, Christoph; Kainz, Theresa; Navickas, Edvinas; Walch, Gregor; Hutter, Herbert; Reichmann, Klaus; Fleig, Jürgen

2016-01-01

The different properties of acceptor-doped (hard) and donor-doped (soft) lead zirconate titanate (PZT) ceramics are often attributed to different amounts of oxygen vacancies introduced by the dopant. Acceptor doping is believed to cause high oxygen vacancy concentrations, while donors are expected to strongly suppress their amount. In this study, La3+ donor-doped, Fe3+ acceptor-doped and La3+/Fe3+-co-doped PZT samples were investigated by oxygen tracer exchange and electrochemical impedance spectroscopy in order to analyse the effect of doping on oxygen vacancy concentrations. Relative changes in the tracer diffusion coefficients for different doping and quantitative relations between defect concentrations allowed estimates of oxygen vacancy concentrations. Donor doping does not completely suppress the formation of oxygen vacancies; rather, it concentrates them in the grain boundary region. Acceptor doping enhances the amount of oxygen vacancies but estimates suggest that bulk concentrations are still in the ppm range, even for 1% acceptor doping. Trapped holes might thus considerably contribute to the charge balancing of the acceptor dopants. This could also be of relevance in understanding the properties of hard and soft PZT. PMID:28774067

n-type dopants in (001) β-Ga2O3 grown on (001) β-Ga2O3 substrates by plasma-assisted molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Han, Sang-Heon; Mauze, Akhil; Ahmadi, Elaheh; Mates, Tom; Oshima, Yuichi; Speck, James S.

2018-04-01

Ge and Sn as n-type dopants in (001) β-Ga2O3 films were investigated using plasma-assisted molecular beam epitaxy. The Ge concentration showed a strong dependence on the growth temperature, whereas the Sn concentration remains independent of the growth temperature. The maximum growth temperature at which a wide range of Ge concentrations (from 1017 to 1020 cm-3) could be achieved was 675 °C while the same range of Sn concentration could be achieved at growth temperature of 750 °C. Atomic force microscopy results revealed that higher growth temperature shows better surface morphology. Therefore, our study reveals a tradeoff between higher Ge doping concentration and high quality surface morphology on (001) β-Ga2O3 films grown by plasma-assisted molecular beam epitaxy. The Ge doped films had an electron mobility of 26.3 cm2 V-1 s-1 at the electron concentration of 6.7 × 1017 cm-3 whereas the Sn doped films had an electron mobility of 25.3 cm2 V-1 s-1 at the electron concentration of 1.1 × 1018 cm-3.

Evaluation of dopants in hydrogen to reduce hydrogen permeation in candidate Stirling engine heater head tube alloys at 760 deg and 820 deg

NASA Technical Reports Server (NTRS)

Misencik, J. A.

1982-01-01

Alloy tubes filled with hydrogen doped with various amounts of carbon monoxide, carbon dioxide, ethane, ethylene, methane, ammonia, or water were heated in a diesel fuel-fired Stirling engine simulator materials test rig for 100 hours at 21 MPa and 760 or 820 C to determine the effectiveness of the dopants in reducing hydrogen permeation through the hot tube walls. Ultra high purity (UHP) hydrogen was used for comparison. The tube alloys were N-155, A-286, Incoloy 800, Nitronic 40, 19-9DL, 316 stainless steel, Inconel 718, and HS-188. Carbon dioxide and carbon monoxide in the concentration range 0.2 to 5 vol % were most effective in reducing hydrogen permeation through the hot tube walls for all alloys. Ethane, ethylene, methane, ammonia, and water at the concentrations investigated were not effective in reducing the permeation below that achieved with UHP hydrogen. One series of tests were conducted with UHP hydrogen in carburized tubes. Carburization of the tubes prior to exposure reduced permeation to values similar to those for carbon monoxide; however, carbon dioxide was the most effective dopant.

Phosphorus Doping in Si Nanocrystals/SiO2 msultilayers and Light Emission with Wavelength compatible for Optical Telecommunication

PubMed Central

Lu, Peng; Mu, Weiwei; Xu, Jun; Zhang, Xiaowei; Zhang, Wenping; Li, Wei; Xu, Ling; Chen, Kunji

2016-01-01

Doping in semiconductors is a fundamental issue for developing high performance devices. However, the doping behavior in Si nanocrystals (Si NCs) has not been fully understood so far. In the present work, P-doped Si NCs/SiO2 multilayers are fabricated. As revealed by XPS and ESR measurements, P dopants will preferentially passivate the surface states of Si NCs. Meanwhile, low temperature ESR spectra indicate that some P dopants are incorporated into Si NCs substitutionally and the incorporated P impurities increase with the P doping concentration or annealing temperature increasing. Furthermore, a kind of defect states will be generated with high doping concentration or annealing temperature due to the damage of Si crystalline lattice. More interestingly, the incorporated P dopants can generate deep levels in the ultra-small sized (~2 nm) Si NCs, which will cause a new subband light emission with the wavelength compatible with the requirement of the optical telecommunication. The studies of P-doped Si NCs/SiO2 multilayers suggest that P doping plays an important role in the electronic structures and optoelectronic characteristics of Si NCs. PMID:26956425

Study of Sequential Dexter Energy Transfer in High Efficient Phosphorescent White Organic Light-Emitting Diodes with Single Emissive Layer

NASA Astrophysics Data System (ADS)

Kim, Jin Wook; You, Seung Il; Kim, Nam Ho; Yoon, Ju-An; Cheah, Kok Wai; Zhu, Fu Rong; Kim, Woo Young

2014-11-01

In this study, we report our effort to realize high performance single emissive layer three color white phosphorescent organic light emitting diodes (PHOLEDs) through sequential Dexter energy transfer of blue, green and red dopants. The PHOLEDs had a structure of; ITO(1500 Å)/NPB(700 Å)/mCP:Firpic-x%:Ir(ppy)3-0.5%:Ir(piq)3-y%(300 Å)/TPBi(300 Å)/Liq(20 Å)/Al(1200 Å). The dopant concentrations of FIrpic, Ir(ppy)3 and Ir(piq)3 were adjusted and optimized to facilitate the preferred energy transfer processes attaining both the best luminous efficiency and CIE color coordinates. The presence of a deep trapping center for charge carriers in the emissive layer was confirmed by the observed red shift in electroluminescent spectra. White PHOLEDs, with phosphorescent dopant concentrations of FIrpic-8.0%:Ir(ppy)3-0.5%:Ir(piq)3-0.5% in the mCP host of the single emissive layer, had a maximum luminescence of 37,810 cd/m2 at 11 V and a luminous efficiency of 48.10 cd/A at 5 V with CIE color coordinates of (0.35, 0.41).

Selected AB4 2−/− (A = C, Si, Ge; B = Al, Ga, In) ions: a battle between covalency and aromaticity, and prediction of square planar Si in SiIn4 2−/−†

PubMed Central

Alexandrova, Anastassia N.; Nayhouse, Michael J.; Huynh, Mioy T.; Kuo, Jonathan L.; Melkonian, Arek V.; Chavez, Gerardo; Hernando, Nina M.; Kowal, Matthew D.; Liu, Chi-Ping

2012-01-01

CAl4 2−/− (D4h, 1A1g) is a cluster ion that has been established to be planar, aromatic, and contain a tetracoordinate planar C atom. Valence isoelectronic substitution of C with Si and Ge in this cluster leads to a radical change of structure toward distorted pentagonal species. We find that this structural change goes together with the cluster acquiring partial covalency of bonding between Si/Ge and Al4, facilitated by hybridization of the atomic orbitals (AOs). Counter intuitively, for the AAl4 2−/− (A = C, Si, Ge) clusters, hybridization in the dopant atom is strengthened from C, to Si, and to Ge, even though typically AOs are more likely to hybridize if they are closer in energy (i.e. in earlier elements in the Periodic Table). The trend is explained by the better overlap of the hybrids of the heavier dopants with the orbitals of Al4. From the thus understood trend, it is inferred that covalency in such clusters can be switched off, by varying the relative sizes of the AOs of the main element and the dopant. Using this mechanism, we then successfully killed covalency in Si, and predicted a new aromatic cluster ion containing a tetracoordinate square planar Si, SiIn4 2−/−. PMID:22868353

Effect of La and W dopants on dielectric and ferroelectric properties of PZT thin films prepared by sol-gel process

NASA Astrophysics Data System (ADS)

Xiao, Mi; Zhang, Zebin; Zhang, Weikang; Zhang, Ping

2018-01-01

La or W-doped lead zirconate titanate thin films (PLZT or PZTW) were prepared on platinized silicon substrates by sol-gel process. The effects of La or W dopant on the phase development, microstructure, dielectric and ferroelectric characteristics of films were studied. For PLZT films, the optimum doping concentration was found to be 2 mol%. While for PZTW films, the dielectric and ferroelectric properties were found to be improved as the doping concentration increased. The fatigue properties of PLZT and PZTW thin films were also investigated, the results showed that A- or B-site donor doping could improve the fatigue properties of PZT thin films. The theory of oxygen vacancy was used to explain the performance improvement caused by donor doping.

Determination of the electrostatic potential distribution in Pt/Fe:SrTiO3/Nb:SrTiO3 thin-film structures by electron holography

NASA Astrophysics Data System (ADS)

Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E.; Waser, Rainer

2014-11-01

We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

Determination of the electrostatic potential distribution in Pt/Fe:SrTiO₃/Nb:SrTiO₃ thin-film structures by electron holography.

PubMed

Marchewka, Astrid; Cooper, David; Lenser, Christian; Menzel, Stephan; Du, Hongchu; Dittmann, Regina; Dunin-Borkowski, Rafal E; Waser, Rainer

2014-11-10

We determined the electrostatic potential distribution in pristine Pt/Fe:SrTiO3/Nb:SrTiO3 structures by electron holography experiments, revealing the existence of a depletion layer extending into the Nb-doped bottom electrode. Simulations of potential profiles in metal-insulator-metal structures were conducted assuming different types and distributions of dopants. It is found that the presence of acceptor-type dopant concentrations at the Fe:SrTiO3/Nb:SrTiO3 interface with a donor-doped insulating layer provides a good match to the measured profile. Such acceptor-type interface concentrations may be associated with Sr vacancies on the Nb:SrTiO3 side of the bottom interface.

Continuum modelling of silicon diffusion in indium gallium arsenide

NASA Astrophysics Data System (ADS)

Aldridge, Henry Lee, Jr.

A possible method to overcome the physical limitations experienced by continued transistor scaling and continue improvements in performance and power consumption is integration of III-V semiconductors as alternative channel materials for logic devices. Indium Gallium Arsenide (InGaAs) is such a material from the III-V semiconductor family, which exhibit superior electron mobilities and injection velocities than that of silicon. In order for InGaAs integration to be realized, contact resistances must be minimized through maximizing activation of dopants in this material. Additionally, redistribution of dopants during processing must be clearly understood and ultimately controlled at the nanometer-scale. In this work, the activation and diffusion behavior of silicon, a prominent n-type dopant in InGaAs, has been characterized and subsequently modelled using the Florida Object Oriented Process and Device Simulator (FLOOPS). In contrast to previous reports, silicon exhibits non-negligible diffusion in InGaAs, even for smaller thermal budget rapid thermal anneals (RTAs). Its diffusion is heavily concentration-dependent, with broadening "shoulder-like" profiles when doping levels exceed 1-3x1019cm -3, for both ion-implanted and Molecular Beam Epitaxy (MBE)-grown cases. Likewise a max net-activation value of ˜1.7x1019cm -3 is consistently reached with enough thermal processing, regardless of doping method. In line with experimental results and several ab-initio calculation results, rapid concentration-dependent diffusion of Si in InGaAs and the upper limits of its activation is believed to be governed by cation vacancies that serve as compensating defects in heavily n-type regions of InGaAs. These results are ultimately in line with an amphoteric defect model, where the activation limits of dopants are an intrinsic limitation of the material, rather than governed by individual dopant species or their methods of incorporation. As a result a Fermi level dependent point defect diffusion model and activation limit model were subsequently developed in FLOOPS with outputs in good agreement with experimental results.

Characterization of SnO2 Film with Al-Zn Doping Using Sol-Gel Dip Coating Techniques

NASA Astrophysics Data System (ADS)

Doyan, A.; Susilawati; Ikraman, N.; Taufik, M.

2018-04-01

Sn1-2x AlxZnxO2 film has been developed using sol-gel dip coating technique. The materials SnCl2.2H2O, AlCl3 and ZnCl2 dissolved in water and ethanol with 5:95 volume ratio. Variations dopant concentration x = 0.000, 0.005, 0.0025, and 0.050. The film was grown with sol concentration 0.4 M, the withdrawal speed of 12 cm/min and sintering at 600 °C for 30 minutes. The characteristics Sn1-2x AlxZnxO2 films with various doping concentration phase were characterized by XRD. The morphological characteristics and the composition of the constituent elements of the film were characterized by SEM-EDX. The characteristics of the shape, structure, and size of the particles were characterized by TEM. The XRD results show that all films have a tetragonal SnO2 rutile phase without any secondary phase with an average particle size in the range 5.14 – 2.09 nm. The SEM results show that the film grown has a smooth morphology with a striped texture (x = 0.00), and there is a crack (x = 0.050). The EDX results show that the composition and distribution of the constituent elements of the film are uniformly distributed. TEM results show that the particle films has tetragonal rutile structure, orthorhombic and amorphous with a spherical shape.

Local structure investigation of Ga and Yb dopants in Co 4 Sb 12 skutterudites

DOE PAGES

Hu, Yanyun; Chen, Ning; Clancy, J. P.; ...

2017-12-29

We report our x-ray absorption spectroscopy studies at both Ga K-edge and Yb L 2-edge to elucidate the local structure of Ga and Yb dopants in Yb xGa yCo 4Sb 12. Our extended x-ray absorption fine structure (EXAFS) data confirm that Ga atoms occupy two crystallographic sites: one is the 24g site replacing Sb, and the other is the 2a site in the off-center void position. We find that the occupancy ratio of these two sites varies significantly as a function of the filling fraction of additional Yb, which exclusively occupies the 2a on-center site. At low concentrations of Yb,more » Ga 24g and Ga 2a dopants coexist and they form a charge-compensated compound defect proposed by Qiu et al. [Adv. Mater. 23, 3194 (2013)]. The Ga 24g occupancy increases gradually with increasing Yb concentration, and almost all Ga occupies the 24g site for the highest Yb concentration (x = 0.4). In addition to the local crystal structure evidence provided by our EXAFS data, we also present x-ray absorption near-edge structure (XANES) spectra, which show a small Ga K-edge energy shift as a function of Yb concentration consistent with the change from predominantly Ga 2a to Ga 24g states. Our result suggests that the increased solubility of Yb in Yb-Ga co-doped Co 4Sb 12 skutterudites is due to the increased Ga 24g electron acceptor, and thus provides an important strategy to optimize the carrier concentration in partially filled skutterudites.« less

Local structure investigation of Ga and Yb dopants in Co4Sb12 skutterudites

NASA Astrophysics Data System (ADS)

Hu, Yanyun; Chen, Ning; Clancy, J. P.; Salvador, James R.; Kim, Chang-Yong; Shi, Xiaoya; Li, Qiang; Kim, Young-June

2017-12-01

We report comprehensive x-ray absorption spectroscopy studies at both the Ga K edge and Yb L2 edge to elucidate the local structure of Ga and Yb dopants in YbxGayCo4Sb12 . Our extended x-ray absorption fine structure (EXAFS) data confirm that Ga atoms occupy two crystallographic sites: one is the 24 g site replacing Sb, and the other is the 2 a site in the off-center void position. We find that the occupancy ratio of these two sites varies significantly as a function of the filling fraction of additional Yb, which exclusively occupies the 2 a on-center site. At low concentrations of Yb, Ga24 g and Ga2 a dopants coexist and they form a charge-compensated compound defect proposed by Qiu et al. [Adv. Funct. Mater. 23, 3194 (2013), 10.1002/adfm.201202571]. The Ga24 g occupancy increases gradually with increasing Yb concentration, and almost all Ga occupies the 24 g site for the highest Yb concentration studied (x =0.4 ). In addition to the local structural evidence provided by our EXAFS data, we also present x-ray absorption near-edge structure (XANES) spectra, which show a small Ga K -edge energy shift as a function of Yb concentration consistent with the change from predominantly Ga2 a to Ga24 g states. Our result suggests that the increased solubility of Yb in Yb-Ga co-doped Co4Sb12 skutterudites is due to the increased Ga24 g electron acceptor, and thus provides an important strategy to optimize the carrier concentration in partially filled skutterudites.

Local structure investigation of Ga and Yb dopants in Co 4 Sb 12 skutterudites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hu, Yanyun; Chen, Ning; Clancy, J. P.

We report our x-ray absorption spectroscopy studies at both Ga K-edge and Yb L 2-edge to elucidate the local structure of Ga and Yb dopants in Yb xGa yCo 4Sb 12. Our extended x-ray absorption fine structure (EXAFS) data confirm that Ga atoms occupy two crystallographic sites: one is the 24g site replacing Sb, and the other is the 2a site in the off-center void position. We find that the occupancy ratio of these two sites varies significantly as a function of the filling fraction of additional Yb, which exclusively occupies the 2a on-center site. At low concentrations of Yb,more » Ga 24g and Ga 2a dopants coexist and they form a charge-compensated compound defect proposed by Qiu et al. [Adv. Mater. 23, 3194 (2013)]. The Ga 24g occupancy increases gradually with increasing Yb concentration, and almost all Ga occupies the 24g site for the highest Yb concentration (x = 0.4). In addition to the local crystal structure evidence provided by our EXAFS data, we also present x-ray absorption near-edge structure (XANES) spectra, which show a small Ga K-edge energy shift as a function of Yb concentration consistent with the change from predominantly Ga 2a to Ga 24g states. Our result suggests that the increased solubility of Yb in Yb-Ga co-doped Co 4Sb 12 skutterudites is due to the increased Ga 24g electron acceptor, and thus provides an important strategy to optimize the carrier concentration in partially filled skutterudites.« less

A clear effect of charge compensation through Na+ co-doping on the luminescence spectra and decay kinetics of Nd3+-doped CaAl4O7

NASA Astrophysics Data System (ADS)

Puchalska, M.; Watras, A.

2016-06-01

We present a detailed analysis of luminescence behavior of singly Nd3+ doped and Nd3+, Na+ co-doped calcium aluminates powders: Ca1-xNdxAl4O7 and Ca1-2xNdxNaxAl4O7 (x=0.001-0.1). Relatively intense Nd3+ luminescence in IR region corresponding to typical 4F3/2→4IJ (J=9/2-13/2) transitions with maximum located at about 1079 nm was obtained in all samples on direct excitation into f-f levels. The effect of dopant concentration and charge compensation by co-doping with Na+ ions on morphology and optical properties were studied. The results show that both, the Nd3+ concentration and the alkali metal co-doping affected the optical properties but had no influence on the powders morphology. The studies of luminescence spectra (298 and 77 K) in a function of dopant concentration showed an increasing distortion of the local symmetry of Nd3+with raising activator content due to certain defects created in the crystal lattice. On the other hand Na+ addition led to significant narrowing of absorption and luminescence bands and also a reduction of the number of their components, showing smaller disturbance of Nd3+ ions local symmetries. Consequently, charge compensated by Na+ co-doping materials showed significantly enhanced Nd3+ luminescence. The decrease of emission intensity and luminescence lifetimes with increase of activator concentration was attributed mainly to phonon-assisted cross-relaxation processes between Nd3+ ions. Analysis with Inokuti-Hirayama model indicated dipole-dipole mechanism of ion-ion interaction. Na+ addition led to much smaller concentration quenching due to smaller clustering of dopant ions in CaAl4O7 lattice.

Dopant-assisted atmospheric pressure photoionization of patulin in apple juice and apple-based food with liquid chromatography-tandem mass spectrometry.

PubMed

Zhang, Kai; Wong, Jon W; Mai, Huy; Trucksess, Mary W

2014-05-07

A dopant-assisted atmospheric pressure photoionization (APPI) with liquid chromatography tandem mass spectrometry (LC-MS/MS) method was developed to determine patulin in apple juice and apple-based food. Different dopants, dopant flow rates, and LC separation conditions were evaluated. Using toluene as the dopant, the LC-APPI-MS/MS method achieved a linear calibration from 12.5 to 2000 μg/L (r(2) > 0.99). Matrix-dependent limits of quantitation (LOQs) were from 8 μg/L (solvent) to 12 μg/L (apple juice). [(13)C]-Patulin-fortified apple juice samples were directly analyzed by the LC-APPI-MS/MS method. Other apple-based food was fortified with [(13)C]-patulin, diluted using water (1% formic acid), centrifuged, and filtered, followed by LC-APPI-MS/MS analysis. In clear apple juice, unfiltered apple cider, applesauce, and apple-based baby food, average recoveries were 101 ± 6% (50 μg/kg), 103 ± 5% (250 μg/kg), and 102 ± 5% (1000 μg/kg) (av ± SD, n = 16). Using the suggested method, patulin was detected in 3 of 30 collected market samples with concentrations ranging from

Aluminum concentration and substrate temperature in chemical sprayed ZnO:Al thin solid films

NASA Astrophysics Data System (ADS)

Lozada, Erick Velázquez; Castañeda, L.; Aguilar, E. Austria

2018-02-01

The continuous interest in the synthesis and properties study of materials has permitted the development of semiconductor oxides. Zinc oxide (ZnO) with hexagonal wurzite structure is a wide band gap n-type semiconductor and interesting material over a wide range. Chemically sprayed aluminium-doped zinc oxide thin films (ZnO:Al) were deposited on soda-lime glass substrates starting from zinc pentanedionate and aluminium pentanedionate. The influence of both the dopant concentration in the starting solution and the substrate temperature on the composition, morphology, and transport properties of the ZnO:Al thin films were studied. The structure of all the ZnO:Al thin films was polycrystalline, and variation in the preferential growth with the aluminium content in the solution was observed: from an initial (002) growth in films with low Al content, switching to a predominance of (101) planes for heavily dopant regime. The crystallite size was found to decrease with doping concentration and range from 33 to 20 nm. First-order Raman scattering from ZnO:Al, all having the wurtzite structure. The assignments of the E2 mode in ZnO:Al differ from previous investigations. The film composition and the dopant concentration were determined by Auger Electron Spectroscopy (AES); these results showed that the films are almost stoichiometric ZnO. The optimum deposition conditions leading to conductive and transparent ZnO:Al thin films were also found. In this way a resistivity of 0.03 Ω-cm with a (002) preferential growth, were obtained in optimized ZnO:Al thin films.

Supramolecular structures and assembly and luminescent properties of quinacridone derivatives.

PubMed

Ye, Kaiqi; Wang, Jia; Sun, Hui; Liu, Yu; Mu, Zhongcheng; Li, Fei; Jiang, Shimei; Zhang, Jingying; Zhang, Hongxing; Wang, Yue; Che, Chi-Ming

2005-04-28

The synthesis and single-crystal X-ray structures of two quinacridone derivatives, N,N'-di(n-butyl)quinacridone (1) and N,N'-di(n-butyl)-1,3,8,10-tetramethylquinacridone (2), are reported, and the 1H NMR, absorption, photoluminescent (PL), and electroluminescent (EL) characteristics are presented. Both these crystal structures are characterized by intermolecular pi...pi and hydrogen bonding interactions. The intermolecular pi...pi interactions lead to the formation of molecular columns in the solids of 1 and 2, and the interplanar contact distances between two adjacent molecules are 3.48 and 3.55 angstroms, respectively. Crystals of 1 display shorter intermolecular pi...pi contacts and higher density than 2. These results suggest that tighter intermolecular interactions exist in 1. The 1H NMR, absorption, and PL spectra of 1 and 2 in solutions exhibit concentration-dependent properties. The PL quantum yields of 1 in solutions decrease more quickly with the increase of concentration compared to that of 2 in solutions. For solid thin films of Alq3:1 (Alq3 = tris(8-hydroxyquinolinato)aluminum), emission intensities dramatically decrease and obvious red shifts are observed when the dopant concentration is above 4.2%, while for films of Alq3:2, a similar phenomenon occurs when the concentration is above 6.7%. EL devices with Alq3:1 as emitting layer only show high efficiencies (20.3-14.5 cd/A) within the narrow dopant concentration range of 0.5-1.0%. In contrast, high efficiencies (21.5-12.0 cd/A) are achieved for a wider dopant concentration range of 0.5-5.0% when Alq3:2 films are employed as emitting layer. The different PL and EL concentration-dependent properties of the solid thin films Alq3:1 and Alq3:2 are attributed to their different molecular packing characteristics in the solid state.

Rapid solid-state metathesis route to transition-metal doped titanias

DOE Office of Scientific and Technical Information (OSTI.GOV)

Coleman, Nathaniel; Perera, Sujith; Gillan, Edward G., E-mail: edward-gillan@uiowa.edu

2015-12-15

Rapid solid-state metathesis (SSM) reactions are often short-lived highly exothermic reactions that yield a molten alkali halide salt that aids in product growth and crystallization. SSM reactions may also produce kinetically stabilized structures due to the short (seconds) reaction times. This report describes the investigation of rapid SSM reactions in the synthesis of transition-metal doped titanias (M–TiO{sub 2}). The dopant targeted compositions were ten mol percent and based on elemental analysis, many of the M–TiO{sub 2} samples were close to this targeted level. Based on surface analysis, some samples showed large enrichment in surface dopant content, particularly chromium and manganesemore » doped samples. Due to the highly exothermic nature of these reactions, rutile structured TiO{sub 2} was observed in all cases. The M–TiO{sub 2} samples are visible colored and show magnetic and optical properties consistent with the dopant in an oxide environment. UV and visible photocatalytic experiments with these visibly colored rutile M–TiO{sub 2} powders showed that many of them are strongly absorbent for methylene blue dye and degrade the dye under both UV and visible light illumination. This work may open up SSM reactions as an alternate non-thermodynamic reaction strategy for dopant incorporation into a wide range of oxide and non-oxides.« less

Two-dimensional dopant profiling of gallium nitride p-n junctions by scanning capacitance microscopy

NASA Astrophysics Data System (ADS)

Lamhamdi, M.; Cayrel, F.; Frayssinet, E.; Bazin, A. E.; Yvon, A.; Collard, E.; Cordier, Y.; Alquier, D.

2016-04-01

Two-dimensional imaging of dopant profiles for n and p-type regions are relevant for the development of new power semiconductors, especially for gallium nitride (GaN) for which classical profiling techniques are not adapted. This is a challenging task since it needs a technique with simultaneously good sensitivity, high spatial resolution and high dopant gradient resolution. To face these challenges, scanning capacitance microscopy combined with Atomic Force Microscopy is a good candidate, presenting reproducible results, as demonstrated in literature. In this work, we attempt to distinguish reliably and qualitatively the various doping concentrations and type at p-n and unipolar junctions. For both p-n and unipolar junctions three kinds of samples were prepared and measured separately. The space-charge region of the p-n metallurgical junction, giving rise to different contrasts under SCM imaging, is clearly observed, enlightening the interest of the SCM technique.

Influence of acceptor on charge mobility in stacked π-conjugated polymers

NASA Astrophysics Data System (ADS)

Sun, Shih-Jye; Menšík, Miroslav; Toman, Petr; Gagliardi, Alessio; Král, Karel

2018-02-01

We present a quantum molecular model to calculate mobility of π-stacked P3HT polymer layers with electron acceptor dopants coupled next to side groups in random position with respect to the linear chain. The hole density, the acceptor LUMO energy and the hybridization transfer integral between the acceptor and polymer were found to be very critical factors to the final hole mobility. For a dopant LUMO energy close and high above the top of the polymer valence band we have found a significant mobility increase with the hole concentration and with the dopant LUMO energy approaching the top of the polymer valence band. Higher mobility was achieved for small values of hybridization transfer integral between polymer and the acceptor, corresponding to the case of weakly bound acceptor. Strong couplings between the polymer and the acceptor with Coulomb repulsion interactions induced from the electron localizations was found to suppress the hole mobility.

Methods for enhancing mapping of thermal fronts in oil recovery

DOEpatents

Lee, David O.; Montoya, Paul C.; Wayland, Jr., James R.

1987-01-01

A method for enhancing the resistivity contrasts of a thermal front in an oil recovery production field as measured by the CSAMT technique is disclosed. This method includes the steps of: (a) preparing a CSAMT-determined topological resistivity map of the production field; (b) introducing a solution of a dopant material into the production field at a concentration effective to alter the resistivity associated with the thermal front; said dopant material having a high cation exchange capacity which might be selected from the group consisting of montmorillonite, illite, and chlorite clays; said material being soluble in the connate water of the production field; (c) preparing a CSAMT-determined topological resistivity map of the production field while said dopant material is moving therethrough; and (d) mathematically comparing the maps from step (a) and step (c) to determine the location of the thermal front. This method is effective with the steam flood, fire flood and water flood techniques.

Controlled doping by self-assembled dendrimer-like macromolecules

NASA Astrophysics Data System (ADS)

Wu, Haigang; Guan, Bin; Sun, Yingri; Zhu, Yiping; Dan, Yaping

2017-02-01

Doping via self-assembled macromolecules might offer a solution for developing single atom electronics by precisely placing individual dopants at arbitrary location to meet the requirement for circuit design. Here we synthesize dendrimer-like polyglycerol macromolecules with each carrying one phosphorus atom in the core. The macromolecules are immobilized by the coupling reagent onto silicon surfaces that are pre-modified with a monolayer of undecylenic acid. Nuclear magnetic resonance (NMR) and X-ray photoelectron spectroscopy (XPS) are employed to characterize the synthesized macromolecules and the modified silicon surfaces, respectively. After rapid thermal annealing, the phosphorus atoms carried by the macromolecules diffuse into the silicon substrate, forming dopants at a concentration of 1017 cm-3. Low-temperature Hall effect measurements reveal that the ionization process is rather complicated. Unlike the widely reported simple ionization of phosphorus dopants, nitrogen and carbon are also involved in the electronic activities in the monolayer doped silicon.

Shallow Heavily Doped n++ Germanium by Organo-Antimony Monolayer Doping.

PubMed

Alphazan, Thibault; Díaz Álvarez, Adrian; Martin, François; Grampeix, Helen; Enyedi, Virginie; Martinez, Eugénie; Rochat, Névine; Veillerot, Marc; Dewitte, Marc; Nys, Jean-Philippe; Berthe, Maxime; Stiévenard, Didier; Thieuleux, Chloé; Grandidier, Bruno

2017-06-14

Functionalization of Ge surfaces with the aim of incorporating specific dopant atoms to form high-quality junctions is of particular importance for the development of solid-state devices. In this study, we report the shallow doping of Ge wafers with a monolayer doping strategy that is based on the controlled grafting of Sb precursors and the subsequent diffusion of Sb into the wafer upon annealing. We also highlight the key role of citric acid in passivating the surface before its reaction with the Sb precursors and the benefit of a protective SiO 2 overlayer that enables an efficient incorporation of Sb dopants with a concentration higher than 10 20 cm -3 . Microscopic four-point probe measurements and photoconductivity experiments show the full electrical activation of the Sb dopants, giving rise to the formation of an n++ Sb-doped layer and an enhanced local field-effect passivation at the surface of the Ge wafer.

Effect of isovalent dopants on photodegradation ability of ZnS nanoparticles

NASA Astrophysics Data System (ADS)

Khaparde, Rohini; Acharya, Smita

2016-06-01

Isovalent (Mn, Cd, Cu, Co)-doped-ZnS nanoparticles having size vary in between 2 to 5 nm are synthesized by co-precipitation route. Their photocatalytic activity for decoloration of Cango Red and Malachite Green dyes is tested in visible radiation under natural conditions. Structural and morphological features of the samples are investigated by X-ray diffraction, Raman spectroscopy, Scanning Electron Microscope (SEM), Transmission Electron Microscope (TEM) and UVsbnd Vis spectrometer. Single phase zinc blende structure of as-synthesized undoped and doped-ZnS is confirmed by XRD and revealed by Rietveld fitting. SEM and TEM images show ultrafine nanoparticles having size in the range of 2 to 5 nm. UV-Vis absorption spectra exhibit blue shift in absorption edge of undoped and doped ZnS as compared to bulk counterpart. The photocatalytic activity as a function of dopant concentration and irradiation time is systematically studied. The rate of de-coloration of dyes is detected by UVsbnd Vis absorption spectroscopy and organic dye mineralization is confirmed by table of carbon (TOC) study. The photocatalytic activity of Mn-doped ZnS is highest amongst all dopants; however Co as a dopant is found to reduce photocatalytic activity than pure ZnS.

Combined evaluation of grazing incidence X-ray fluorescence and X-ray reflectivity data for improved profiling of ultra-shallow depth distributions☆

PubMed Central

Ingerle, D.; Meirer, F.; Pepponi, G.; Demenev, E.; Giubertoni, D.; Wobrauschek, P.; Streli, C.

2014-01-01

The continuous downscaling of the process size for semiconductor devices pushes the junction depths and consequentially the implantation depths to the top few nanometers of the Si substrate. This motivates the need for sensitive methods capable of analyzing dopant distribution, total dose and possible impurities. X-ray techniques utilizing the external reflection of X-rays are very surface sensitive, hence providing a non-destructive tool for process analysis and control. X-ray reflectometry (XRR) is an established technique for the characterization of single- and multi-layered thin film structures with layer thicknesses in the nanometer range. XRR spectra are acquired by varying the incident angle in the grazing incidence regime while measuring the specular reflected X-ray beam. The shape of the resulting angle-dependent curve is correlated to changes of the electron density in the sample, but does not provide direct information on the presence or distribution of chemical elements in the sample. Grazing Incidence XRF (GIXRF) measures the X-ray fluorescence induced by an X-ray beam incident under grazing angles. The resulting angle dependent intensity curves are correlated to the depth distribution and mass density of the elements in the sample. GIXRF provides information on contaminations, total implanted dose and to some extent on the depth of the dopant distribution, but is ambiguous with regard to the exact distribution function. Both techniques use similar measurement procedures and data evaluation strategies, i.e. optimization of a sample model by fitting measured and calculated angle curves. Moreover, the applied sample models can be derived from the same physical properties, like atomic scattering/form factors and elemental concentrations; a simultaneous analysis is therefore a straightforward approach. This combined analysis in turn reduces the uncertainties of the individual techniques, allowing a determination of dose and depth profile of the implanted elements with drastically increased confidence level. Silicon wafers implanted with Arsenic at different implantation energies were measured by XRR and GIXRF using a combined, simultaneous measurement and data evaluation procedure. The data were processed using a self-developed software package (JGIXA), designed for simultaneous fitting of GIXRF and XRR data. The results were compared with depth profiles obtained by Secondary Ion Mass Spectrometry (SIMS). PMID:25202165

Process for forming retrograde profiles in silicon

DOEpatents

Weiner, K.H.; Sigmon, T.W.

1996-10-15

A process is disclosed for forming retrograde and oscillatory profiles in crystalline and polycrystalline silicon. The process consisting of introducing an n- or p-type dopant into the silicon, or using prior doped silicon, then exposing the silicon to multiple pulses of a high-intensity laser or other appropriate energy source that melts the silicon for short time duration. Depending on the number of laser pulses directed at the silicon, retrograde profiles with peak/surface dopant concentrations which vary are produced. The laser treatment can be performed in air or in vacuum, with the silicon at room temperature or heated to a selected temperature.

Transmutation doping of silicon solar cells

NASA Technical Reports Server (NTRS)

Wood, R. F.; Westbrook, R. D.; Young, R. T.; Cleland, J. W.

1977-01-01

Normal isotopic silicon contains 3.05% of Si-30 which transmutes to P-31 after thermal neutron absorption, with a half-life of 2.6 hours. This reaction is used to introduce extremely uniform concentrations of phosphorus into silicon, thus eliminating the areal and spatial inhomogeneities characteristic of chemical doping. Annealing of the lattice damage in the irradiated silicon does not alter the uniformity of dopant distribution. Transmutation doping also makes it possible to introduce phosphorus into polycrystalline silicon without segregation of the dopant at the grain boundaries. The use of neutron transmutation doped (NTD) silicon in solar cell research and development is discussed.

Synthesis, properties, and formation mechanism of Mn-doped Zn 2 SiO 4 nanowires and associated heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Haiqing; Moronta, Dominic; Li, Luyao

In this study, we have put forth a facile hydrothermal approach to synthesize an array of one-dimensional (1D) Mn-doped Zn 2SiO 4 nanostructures. Specifically, we have probed and correlated the effects of controllable reaction parameters such as the pH and Mn dopant concentrations with the resulting crystal structures and morphologies of the products obtained. Based upon our results, we find that careful tuning of the pH versus the Mn dopant level gives rise to opposite trends with respect to the overall size of the resulting one-dimensional nanostructures. Significantly, we have highlighted the role of the Mn dopant ion concentration asmore » a potentially generalizable reaction parameter in solution-based synthesis for controlling morphology and hence, the observed optical behavior. Indeed, such a strategy can be potentially generalized to systems such as but not limited to Mn-doped ZnS, CdS, and CdSe quantum dots (QD), which, to the best of our knowledge, denote promising candidates for a variety of optoelectronic applications. Specifically, we have carefully optimized the synthesis conditions in order to generate a series of chemically well-defined Mn-doped Zn 2SiO 4 not only possessing Mn concentrations ranging from 3% to 8% but also characterized by highly crystalline, monodisperse wire-like motifs measuring ~30 nm in diameter and ~700 nm in length. Optically, the photoluminescence signals associated with the 1D series yielded a volcano-shaped relationship between PL intensities and the Mn dopant level. In additional experiments, we have immobilized CdSe quantum dots (QDs) onto the external surfaces of our as-synthesized Mn-doped Zn 2SiO 4 nanowires, in order to form novel composite heterostructures. The optical properties of the CdSe QD–Mn:Zn 2SiO 4 heterostructures have been subsequently examined. Our results have demonstrated the likely co-existence of both energy transfer and charge transfer phenomena between the two constituent components of our as-prepared composites. Specifically, when both components are photoexcited, both energy transfer and charge transfer were found to plausibly occur, albeit in opposite directions. When the CdSe QDs are excited alone for example, charge transfer probably takes place from the CdSe QDs to the dopant Mn 2+ ions. We believe that our as-processed heterostructures are therefore promising as a tunable light-harvesting motif. Essentially, these materials have broadened the effective light absorption range for optical ‘accessibility’, not only through their incorporation of dopant-tunable Zn 2SiO 4 possessing complementary absorption properties to those of the QDs but also through their integration of CdSe QDs with size-tailorable optical behavior.« less

Synthesis, properties, and formation mechanism of Mn-doped Zn 2 SiO 4 nanowires and associated heterostructures

DOE PAGES

Liu, Haiqing; Moronta, Dominic; Li, Luyao; ...

2018-03-28

In this study, we have put forth a facile hydrothermal approach to synthesize an array of one-dimensional (1D) Mn-doped Zn 2SiO 4 nanostructures. Specifically, we have probed and correlated the effects of controllable reaction parameters such as the pH and Mn dopant concentrations with the resulting crystal structures and morphologies of the products obtained. Based upon our results, we find that careful tuning of the pH versus the Mn dopant level gives rise to opposite trends with respect to the overall size of the resulting one-dimensional nanostructures. Significantly, we have highlighted the role of the Mn dopant ion concentration asmore » a potentially generalizable reaction parameter in solution-based synthesis for controlling morphology and hence, the observed optical behavior. Indeed, such a strategy can be potentially generalized to systems such as but not limited to Mn-doped ZnS, CdS, and CdSe quantum dots (QD), which, to the best of our knowledge, denote promising candidates for a variety of optoelectronic applications. Specifically, we have carefully optimized the synthesis conditions in order to generate a series of chemically well-defined Mn-doped Zn 2SiO 4 not only possessing Mn concentrations ranging from 3% to 8% but also characterized by highly crystalline, monodisperse wire-like motifs measuring ~30 nm in diameter and ~700 nm in length. Optically, the photoluminescence signals associated with the 1D series yielded a volcano-shaped relationship between PL intensities and the Mn dopant level. In additional experiments, we have immobilized CdSe quantum dots (QDs) onto the external surfaces of our as-synthesized Mn-doped Zn 2SiO 4 nanowires, in order to form novel composite heterostructures. The optical properties of the CdSe QD–Mn:Zn 2SiO 4 heterostructures have been subsequently examined. Our results have demonstrated the likely co-existence of both energy transfer and charge transfer phenomena between the two constituent components of our as-prepared composites. Specifically, when both components are photoexcited, both energy transfer and charge transfer were found to plausibly occur, albeit in opposite directions. When the CdSe QDs are excited alone for example, charge transfer probably takes place from the CdSe QDs to the dopant Mn 2+ ions. We believe that our as-processed heterostructures are therefore promising as a tunable light-harvesting motif. Essentially, these materials have broadened the effective light absorption range for optical ‘accessibility’, not only through their incorporation of dopant-tunable Zn 2SiO 4 possessing complementary absorption properties to those of the QDs but also through their integration of CdSe QDs with size-tailorable optical behavior.« less

Magnetic anomalies in Fe-doped NiO nanoparticle

NASA Astrophysics Data System (ADS)

Pradeep, R.; Gandhi, A. C.; Tejabhiram, Y.; Mathar Sahib, I. K. Md; Shimura, Y.; Karmakar, L.; Das, D.; Wu, Sheng Yun; Hayakawa, Y.

2017-09-01

Undoped and iron-doped NiO nanoparticle were synthesized by standard hydrothermal method. A detailed study is carried out on the effect of dopant concentration on morphology, structural, resonance and magnetic properties of NiO nanoparticle by varying the Fe concentration from 0.01 to 0.10 M. The synchrotron-x-ray diffraction confirmed that no secondary phase was observed other than NiO. The x-ray photoelectron spectroscopy studies revealed that, Fe was primarily in the trivalent state, replacing the Ni2+ ion inside the octahedral crystal site of NiO. The Electron paramagnetic studies revealed the ferromagnetic cluster formation at high doping concentration (5 and 10%). The ZFC-FC curves displayed an average blocking temperature around 180 K due to particle size distribution. The anomalous behaviour of spontaneous exchange bias (H SEB) and magnetic remanence (M r) for all Fe-doped samples observed at 5 K showed an increase (0.1316-0.1384 emu g-1) in the moment of frozen spin (M p) as the dopant concentration increased. The role of frozen spin moment in spontaneous exchange bias behaviour was discussed.

One-Step Synthesis of B/N Co-doped Graphene as Highly Efficient Electrocatalyst for the Oxygen Reduction Reaction: Synergistic Effect of Impurities.

PubMed

Mazánek, Vlastimil; Matějková, Stanislava; Sedmidubský, David; Pumera, Martin; Sofer, Zdeněk

2018-01-19

In the last decade, numerous studies of graphene doping by various metal and nonmetal elements have been done in order to obtain tailored properties, such as non-zero band gap, electrocatalytic activity, or controlled optical properties. From nonmetal elements, boron and nitrogen were the most studied dopants. Recently, it has been shown that in some cases the enhanced electrocatalytic activity of graphene and its derivatives can be attributed to metal impurities rather than to nonmetal elements. In this paper, we investigated the electrocatalytical properties of B/N co-doped graphene with respect to the content of metallic impurities introduced by the synthesis procedures. For this purpose, a permanganate (Hummers) and a chlorate (Hofmann) route were used for the preparation of the starting graphene oxides (GO). The GO used for the synthesis of B/N co-doped graphene had significantly difference compositions of oxygen functionalities as well as metallic impurities introduced by the different synthetic procedures. We performed a detailed structural and chemical analysis of the doped graphene samples to correlate their electrocatalytic activity with the concentration of incorporated boron and nitrogen as well as metallic impurities. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Low cost, formable, high T(sub c) superconducting wire

NASA Technical Reports Server (NTRS)

Smialek, James L. (Inventor)

1991-01-01

A ceramic superconductivity part such as a wire is produced through the partial oxidation of a specially formulated copper alloy in the core. The alloys contain low level quantities of rare earth and alkaline earth dopant elements. Upon oxidation at high temperature, superconducting oxide phases are formed as a thin film.

Minority-carrier lifetime in InP as a function of light bias

NASA Technical Reports Server (NTRS)

Yater, Jane A.; Weinberg, I.; Jenkins, Phillip P.; Landis, Geoffrey A.

1995-01-01

Minority-carrier lifetime in InP is studied as a function of doping level and laser intensity using time-resolved photoluminescence. A continuous wave diode laser illuminates bulk InP and acts as a light bias, injecting a steady-state concentration of carriers. A 200 ps laser pulse produces a small transient signal on top of the steady-state luminescence, allowing lifetime to be measured directly as a function of incident intensity. For p-InP, lifetime increases with light bias up to a maximum value. Bulk recombination centers are presumably filled to saturation, allowing minority carriers to live longer. The saturation bias scales with dopant concentration for a particular dopant species. As light bias is increased for n-InP, minority-carrier lifetime increases slightly but then decreases, suggesting radiative recombination as a dominant decay mechanism.

Optical and Magnetic Properties of ZnO Nanoparticles Doped with Co, Ni and Mn and Synthesized at Low Temperature.

PubMed

Hancock, Jared M; Rankin, William M; Hammad, Talaat M; Salem, Jamil S; Chesnel, Karine; Harrison, Roger G

2015-05-01

Zinc oxide nanomaterials were synthesized with small amounts of magnetic ions to create dilute magnetic semiconductors (DMS), by using a low temperature sol-gel method. Conditions were controlled such that a range of amounts of Co, Ni and Mn were incorporated. The incorporation could be tracked by color changes in the powders to blue for Co, green for Ni and yellow for Mn. XRD measurements showed the ZnO has the wurtzite structure with crystallites 8-12 nm in diameter. Nanoparticles were observed by SEM and TEM and TEM showed that the lattice fringes of different nanoparticles align. Nanoparticle alignment was disrupted when high concentrations of metal dopants were incorporated. Magnetic measurements showed a change in behavior from diamagnetic to paramagnetic with increasing concentration of metal dopants.

Red phosphorescent organic light-emitting diodes based on the simple structure.

PubMed

Seo, Ji Hyun; Lee, Seok Jae; Kim, Bo Young; Choi, Eun Young; Han, Wone Keun; Lee, Kum Hee; Yoon, Seung Soo; Kim, Young Kwan

2012-05-01

We demonstrated that the simple layered red phosphorescent organic light-emitting diodes (OLEDs) are possible to have high efficiency, low driving voltage, stable roll-off efficiency, and pure emission color without hole injection and transport layers. We fabricated the OLEDs with a structure of ITO/CBP doped with Ir(pq)2(acac)/BPhen/Liq/Al, where the doping concentration of red dopant, Ir(pq)2(acac), was varied from 4% to 20%. As a result, the quantum efficiencies of 13.4, 11.2, 16.7, 10.8 and 9.8% were observed in devices with doping concentrations of 4, 8, 12, 16 and 20%, respectively. Despite of absence of the hole injection and transport layers, these efficiencies are superior to efficiencies of device with hole transporting layer due to direct hole injection from anode to dopant in emission layer.

Hole mobility in various transition-metal-oxides doped organic semiconductor films

NASA Astrophysics Data System (ADS)

Yoo, Seung-Jun; Lee, Jeong-Hwan; Kim, Jae-Min; Kim, Jang-Joo

2017-01-01

Hole mobility in various p-doped organic semiconductors possessing different energetic disorder parameters in low-to-moderate doping range is reported. The hole mobility is reduced by orders of magnitude and converged to 10-7-10-6 cm2/Vs at a doping concentration of 5 mol. % for all the materials, even though the pristine organic films possess orders of magnitude of different mobilities from 10-5 to 10-3 cm2/Vs. These results indicate that the ionized dopants behave as traps for generated carriers to reduce the mobility. Further increase in the doping concentration either increases or decreases the mobility depending on the energetic disorder parameters of the organic films. These phenomena are interpreted based on the Coulomb trap depth of the ionized dopants and energetic disorder of the host layers.

Structural and luminescence properties of self-yellow emitting undoped and (Ca, Ba, Sr)-doped Zn2V2O7 phosphors synthesized by combustion method

NASA Astrophysics Data System (ADS)

Foka, Kewele E.; Dejene, Birhanu F.; Koao, Lehlohonolo F.; Swart, Hendrik C.

2018-04-01

A self-activated yellow emitting Zn2V2O7 was synthesized by combustion method. The influence of the processing parameters such as synthesis temperature and dopants concentration on the structure, morphology and luminescence properties was investigated. The X-ray diffraction (XRD) analysis confirmed that the samples have a tetragonal structure and no significant structural change was observed in varying both the synthesis temperature and the dopants concentration. The estimated average crystallite size was 78 nm for the undoped samples synthesized at different temperatures and 77 nm for the doped samples. Scanning electron microscope (SEM) images showed agglomerated hexagonal-shaped particles with straight edges at low temperatures and the shape of the particles changed to cylindrical structures at moderate temperatures. At higher temperatures, the morphology changed completely. However, the morphologies of the doped samples looked alike. The photoluminescence (PL) of the product exhibited broad emission bands ranging from 400 to 800 nm. The best luminescence intensity was observed for the undoped Zn2V2O7 samples and those synthesized at 600 ℃ . Any further increase in synthesis temperature, type and concentration of dopants led to a decrease in the luminescence intensity. The broad band emission peak of Zn2V2O7 consisted of two broad bands corresponding to emissions from the Em1 (3T2→1A1) and Em2 (3T1→1A1) transitions.

Gradient doping - a case study with Ti-Fe2O3 towards an improved photoelectrochemical response.

PubMed

Srivastav, Anupam; Verma, Anuradha; Banerjee, Anamika; Khan, Saif A; Gupta, Mukul; Satsangi, Vibha Rani; Shrivastav, Rohit; Dass, Sahab

2016-12-07

The present study investigates the effect of gradient doping on modifying the photoelectrochemical response of Ti-doped Fe 2 O 3 photoanodes for their use in sunlight based water splitting for hydrogen evolution. The deposition of a thin film over the ITO (tin doped indium oxide) substrate was carried out using a spray pyrolysis method. The concentration of dopant was varied from 0.5-8.0 at% and two sets of samples were also prepared with low to high (0.5-8%) and high to low (8-0.5%) dopant concentrations in the direction towards the substrate. The prepared thin films were characterized using X-ray Diffractometry (XRD), Scanning Electron Microscopy (SEM), Energy Dispersive X-ray (EDX) Spectroscopy, Secondary Ion Mass Spectroscopy (SIMS), X-ray Photoelectron Spectroscopy (XPS) and UV-visible Spectroscopy. The photoelectrochemical studies revealed that the deposition of dopant layers with a low to high concentration towards the substrate exhibited a highly improved photoresponse (200 times) in comparison to the pristine sample and a two fold enhancement in comparison to 2% Ti-doped Fe 2 O 3 . The improvement in the photoresponse has been attributed to the values of a high flat band potential, low resistance, high open circuit voltage, carrier separation efficiency, applied bias photon-to-current conversion efficiency (ABPE), and incident photon-to-current conversion efficiency (IPCE). A reduced charge transfer resistance has been demonstrated with Nyquist plots.

Effect of Yb substitution on room temperature magnetic and dielectric properties of bismuth ferrite nanoparticles

NASA Astrophysics Data System (ADS)

Remya, K. P.; Amirthapandian, S.; Manivel Raja, M.; Viswanathan, C.; Ponpandian, N.

2016-10-01

Effect of the Yb dopant on the structural, magnetic, and electrical properties of the multiferroic BiFeO3 have been studied. The structural properties of sol-gel derived Bi1-xYbxFeO3 (x = 0.0, 0.1, and 0.2) nanoparticles reveal the formation of a rhombohedrally distorted perovskite in XRD and a reduction in the average grain size have been observed with an increase in the Yb concentration. Microstructural studies exhibited the formation of sphere like morphology with decreasing particle size with increase in the dopant concentration. The effective doping also resulted in larger magnetization as well as coercivity with the maximum of 257 Oe and 1.76 emu/g in the Bi0.8Yb0.2FeO3 nanoparticles. Ferroelectric as well as dielectric properties of the nanoparticles were also improved on doping. The best results were obtained for the BiFeO3 nanoparticles having Yb concentration x = 0.2.

Improved efficiency in blue phosphorescent organic light-emitting diodes by the stepwise doping structure

NASA Astrophysics Data System (ADS)

Yang, Liping; Wang, Xiaoping; Kou, Zhiqi; Ji, Changyan

2017-04-01

The electro-optical properties of the blue phosphorescent organic light-emitting diodes (PHOLEDs) can be affected by the stepwise doping structure in the emitting layer (EML). A series of multi-EML devices with different doping concentration of blue dopant (FIrpic) are fabricated. The effect of the stepwise doping structure close to the electron transport layer is more obvious than that close to the hole transport layer. When the doping concentration increases gradually from the hole injection side to the electron injection side, the maximum values of the luminance, current and power efficiency can reach to 9745 cd/m2 (at 9 V), 32.0 cd/A and 25.1 lm/W in the device with the asymmetric tri-EML structure, which is improved by about 10% compared with that in the bi-EML device. When the number of the EML is four, the performance of the device becomes worse because of the interface effect resulting from different concentration of dopant.

Impurities in silicon solar cells

NASA Technical Reports Server (NTRS)

Hopkins, R. H.

1985-01-01

Metallic impurities, both singly and in combinations, affect the performance of silicon solar cells. Czochralski silicon web crystals were grown with controlled additions of secondary impurities. The primary electrical dopants were boron and phosphorus. The silicon test ingots were grown under controlled and carefully monitored conditions from high-purity charge and dopant material to minimize unintentional contamination. Following growth, each crystal was characterized by chemical, microstructural, electrical, and solar cell tests to provide a detailed and internally consistent description of the relationships between silicon impurity concentration and solar cell performance. Deep-level spectroscopy measurements were used to measure impurity concentrations at levels below the detectability of other techniques and to study thermally-induced changes in impurity activity. For the majority of contaminants, impurity-induced performance loss is due to a reduction of the base diffusion length. From these observations, a semi-empirical model which predicts cell performance as a function of metal impurity concentration was formulated. The model was then used successfully to predict the behavior of solar cells bearing as many as 11 different impurities.

High-efficiency GaAs solar concentrator cells for space and terrestrial applications

NASA Technical Reports Server (NTRS)

Hamaker, H. C.; Werthen, J. G.; Ford, C. W.; Virshup, G. F.; Kaminar, N. R.

1986-01-01

High-efficiency Al(x)Ga(1-x)As/GaAs heteroface solar concentrator cells have been developed for both space and terrestrial applications. The cells, which were grown using metalorganic chemical vapor deposition, have been fabricated in both the p-n and n-p configurations. Magnesium and zinc are used as p-type dopants, and Se is used as the n-type dopant. The space cells, which are designed for use in a Cassegrainian concentrator operating at 100 suns, AMO, have a circular illuminated area 4 mm in diameter on a 5 mm x 5 mm cell. These cells have exhibited flash-tested efficiencies as high as 23.6 percent at 28 C and 21.6 percent at 80 C. The terrestrial cells have a circular illuminated area 0.2 inches in diameter and are intended for use in a module which operates at 940 suns, AM1.5. These cells have shown a peak efficiency of 26 percent at 753 suns and over 25 percent at greater than 1000 suns.

Mechanisms for dose retention in conformal arsenic doping using a radial line slot antenna microwave plasma source

NASA Astrophysics Data System (ADS)

Ueda, Hirokazu; Ventzek, Peter L. G.; Oka, Masahiro; Kobayashi, Yuuki; Sugimoto, Yasuhiro

2015-06-01

Topographic structures such as Fin FETs and silicon nanowires for advanced gate fabrication require ultra-shallow high dose infusion of dopants into the silicon subsurface. Plasma doping meets this requirement by supplying a flux of inert ions and dopant radicals to the surface. However, the helium ion bombardment needed to infuse dopants into the fin surface can cause poor dose retention. This is due to the interaction between substrate damage and post doping process wet cleaning solutions required in the front end of line large-scale integration fabrication. We present findings from surface microscopy experiments that reveal the mechanism for dose retention in arsenic doped silicon fin samples using a microwave RLSA™ plasma source. Dilute aqueous hydrofluoric acid (DHF) cleans by themselves are incompatible with plasma doping processes because the films deposited over the dosed silicon and ion bombardment damaged silicon are readily removed. Oxidizing wet cleaning chemistries help retain the dose as silica rich over-layers are not significantly degraded. Furthermore, the dosed retention after a DHF clean following an oxidizing wet clean is unchanged. Still, the initial ion bombardment energy and flux are important. Large ion fluxes at energies below the sputter threshold and above the silicon damage threshold, before the silicon surface is covered by an amorphous mixed phase layer, allow for enhanced uptake of dopant into the silicon. The resulting dopant concentration is beyond the saturation limit of crystalline silicon.

In situ Ni-doping during cathodic electrodeposition of hematite for excellent photoelectrochemical performance of nanostructured nickel oxide-hematite p-n junction photoanode

NASA Astrophysics Data System (ADS)

Phuan, Yi Wen; Ibrahim, Elyas; Chong, Meng Nan; Zhu, Tao; Lee, Byeong-Kyu; Ocon, Joey D.; Chan, Eng Seng

2017-01-01

Nanostructured nickel oxide-hematite (NiO/α-Fe2O3) p-n junction photoanodes synthesized from in situ doping of nickel (Ni) during cathodic electrodeposition of hematite were successfully demonstrated. A postulation model was proposed to explain the fundamental mechanism of Ni2+ ions involved, and the eventual formation of NiO on the subsurface region of hematite that enhanced the potential photoelectrochemical water oxidation process. Through this study, it was found that the measured photocurrent densities of the Ni-doped hematite photoanodes were highly dependent on the concentrations of Ni dopant used. The optimum Ni dopant at 25 M% demonstrated an excellent photoelectrochemical performance of 7-folds enhancement as compared to bare hematite photoanode. This was attributed to the increased electron donor density through the p-n junction and thus lowering the energetic barrier for water oxidation activity at the optimum Ni dopant concentration. Concurrently, the in situ Ni-doping of hematite has also lowered the photogenerated charge carrier transfer resistance as measured using the electrochemical impedance spectroscopy. It is expected that the fundamental understanding gained through this study is helpful for the rational design and construction of highly efficient photoanodes for application in photoelectrochemical process.

Dopant ink composition and method of fabricating a solar cell there from

DOEpatents

Loscutoff, Paul; Wu, Kahn; Molesa, Steven Edward

2017-10-25

Dopant ink compositions and methods of fabricating solar cells there from are described. A dopant ink composition may include a cross-linkable matrix precursor, a bound dopant species, and a solvent. A method of fabricating a solar cell may include delivering a dopant ink composition to a region above a substrate. The dopant ink composition includes a cross-linkable matrix precursor, a bound dopant species, and a solvent. The method also includes baking the dopant ink composition to remove a substantial portion of the solvent of the dopant ink composition, curing the baked dopant ink composition to cross-link a substantial portion of the cross-linkable matrix precursor of the dopant ink composition, and driving dopants from the cured dopant ink composition toward the substrate.

Dopant ink composition and method of fabricating a solar cell there from

DOEpatents

Loscutoff, Paul; Wu, Kahn; Molesa, Steven Edward

2015-03-31

Dopant ink compositions and methods of fabricating solar cells there from are described. A dopant ink composition may include a cross-linkable matrix precursor, a bound dopant species, and a solvent. A method of fabricating a solar cell may include delivering a dopant ink composition to a region above a substrate. The dopant ink composition includes a cross-linkable matrix precursor, a bound dopant species, and a solvent. The method also includes baking the dopant ink composition to remove a substantial portion of the solvent of the dopant ink composition, curing the baked dopant ink composition to cross-link a substantial portion of the cross-linkable matrix precursor of the dopant ink composition, and driving dopants from the cured dopant ink composition toward the substrate.

Suppression of Random Dopant-Induced Threshold Voltage Fluctuations in Sub-0.1-(micron)meter MOSFET's with Epitaxial and (delta)-Doped Channels

NASA Technical Reports Server (NTRS)

Asenov, Asen; Saini, Subhash

1999-01-01

A detailed three-dimensional (3-D) statistical 'atomistic' simulation study of fluctuation-resistant sub-0.1-(micron)meter MOSFET architectures with epitaxial channels and delta doping is presented. The need for enhancing the fluctuation resistance of the sub-0.1-(micron)meter generation transistors is highlighted by presenting summarized results from atomistic simulations of a wide range of conventional devices with uniformly doped channel. According to our atomistic results, the doping concentration dependence of the random dopant-induced threshold voltage fluctuations in conventional devices is stronger than the analytically predicted fourth-root dependence. As a result of this, the scaling of such devices will be restricted by the "intrinsic" random dopant-induced fluctuations earlier than anticipated. Our atomistic simulations confirm that the introduction of a thin epitaxial layer in the MOSFET's channel can efficiently suppress the random dopant-induced threshold voltage fluctuations in sub-0.1-(micron)meter devices. For the first time, we observe an "anomalous" reduction in the threshold voltage fluctuations with an increase in the doping concentration behind the epitaxial channel, which we attribute to screening effects. Also, for the first time we study the effect of a delta-doping, positioned behind the epitaxial layer, on the intrinsic threshold voltage fluctuations. Above a certain thickness of epitaxial layer, we observe a pronounced anomalous decrease in the threshold voltage fluctuation with the increase of the delta doping. This phenomenon, which is also associated with screening, enhances the importance of the delta doping in the design of properly scaled fluctuation-resistant sub-0.1-(micron)meter MOSFET's. Index Terms-Doping, fluctuations, MOSFET, semiconductor device simulation, silicon devices, threshold.

In-situ co-doping of sputter-deposited TiO2:WN films for the development of photoanodes intended for visible-light electro-photocatalytic degradation of emerging pollutants

NASA Astrophysics Data System (ADS)

Delegan, N.; Pandiyan, R.; Komtchou, S.; Dirany, A.; Drogui, P.; El Khakani, M. A.

2018-05-01

We report on the magnetron sputtering deposition of in-situ codoped TiO2:WN films intended for electro-photocatalytic (EPC) applications under solar irradiation. By varying the RF-magnetron sputtering deposition parameters, we were able to tune the in-situ incorporation of both N and W dopants in the TiO2 films over a wide concentration range (i.e., 0-9 at. % for N and 0-3 at. % for W). X-ray photoelectron spectroscopy analysis revealed that both dopants are mostly of a substitutional nature. The analysis of the UV-Vis transmission spectra of the films confirmed that the optical bandgap of both TiO2:N and TiO2:WN films can be significantly narrowed (from 3.2 eV for undoped-TiO2 down to ˜2.3 eV for the doped ones) by tuning their dopant concentrations. We were thus able to pinpoint an optimal window for both dopants (N and W) where the TiO2:WN films exhibit the narrowest bandgap. Moreover, the optimal codoping conditions greatly reduce the recombination defect state density compared to the monodoped TiO2:N films. These electronically passivated TiO2:WN films are shown to be highly effective for the EPC degradation of atrazine (pesticide pollutant) under sunlight irradiation (93% atrazine degraded after only 30 min of EPC treatment). Indeed, the optimally codoped TiO2:WN photoanodes were found to be more efficient than both the undoped-TiO2 and equally photosensitized TiO2:N photoanodes (by ˜70% and ˜25%, respectively) under AM1.5 irradiation.

First-principles study of codoping in lanthanum bromide

NASA Astrophysics Data System (ADS)

Erhart, Paul; Sadigh, Babak; Schleife, André; Åberg, Daniel

2015-04-01

Codoping of Ce-doped LaBr3 with Ba, Ca, or Sr improves the energy resolution that can be achieved by radiation detectors based on these materials. Here, we present a mechanism that rationalizes this enhancement on the basis of first-principles electronic structure calculations and point defect thermodynamics. It is shown that incorporation of Sr creates neutral VBr-SrLa complexes that can temporarily trap electrons. As a result, Auger quenching of free carriers is reduced, allowing for a more linear, albeit slower, scintillation light yield response. Experimental Stokes shifts can be related to different CeLa-SrLa-VBr triple complex configurations. Codoping with other alkaline as well as alkaline-earth metals is considered as well. Alkaline elements are found to have extremely small solubilities on the order of 0.1 ppm and below at 1000 K. Among the alkaline-earth metals the lighter dopant atoms prefer interstitial-like positions and create strong scattering centers, which has a detrimental impact on carrier mobilities. Only the heavier alkaline-earth elements (Ca, Sr, Ba) combine matching ionic radii with sufficiently high solubilities. This provides a rationale for the experimental finding that improved scintillator performance is exclusively achieved using Sr, Ca, or Ba. The present mechanism demonstrates that codoping of wide-gap materials can provide an efficient means for managing charge carrier populations under out-of-equilibrium conditions. In the present case dopants are introduced that manipulate not only the concentrations but also the electronic properties of intrinsic defects without introducing additional gap levels. This leads to the availability of shallow electron traps that can temporarily localize charge carriers, effectively deactivating carrier-carrier recombination channels. The principles of this mechanism are therefore not specific to the material considered here but can be adapted for controlling charge carrier populations and recombination in other wide-gap materials.

Electron concentration in highly resistive GaN substrates co-doped with Si, C, and Fe

NASA Astrophysics Data System (ADS)

Tokuda, Hirokuni; Suzuki, Kosuke; Asubar, Joel T.; Kuzuhara, Masaaki

2018-07-01

Electron concentration in highly resistive GaN substrates with intentional iron (Fe) dopants as well as unintentionally incorporated silicon (Si) and carbon (C) dopants has been investigated. Si, C, and Fe atomic concentrations were 2 × 1017, 1 × 1016, and 1 × 1019 cm‑3, respectively as measured by secondary ion mass spectroscopy (SIMS). Temperature dependence of current–voltage (I–V) characteristics revealed that the resistivity (ρ) was 3.8 × 109 Ω cm at 300 K and monotonously decreased to 3.1 × 104 Ω cm at 570 K, giving an activation energy of 0.63 eV. Electron concentration (n) was modeled using analytical equation assuming three impurity levels of Si donor, C and Fe acceptors. The n of 5.0 × 107 and 3.1 × 1012 cm‑3 at 300 and 570 K, respectively, with an effective activation energy of 0.60 eV, were derived based on the model. These calculated electron concentration values are in good agreement with the experimental results. In addition, quantitatively analyzed results revealed that around 2 orders of magnitude reduction of n is expected by increasing doping concentration of Fe from 1.0 × 1018 to 1.0 × 1020 cm‑3.

Method of forming low cost, formable High T(subc) superconducting wire

NASA Technical Reports Server (NTRS)

Smialek, James L. (Inventor)

1989-01-01

A ceramic superconductivity part, such as a wire, is produced through the partial oxidation of a specially formulated copper alloy in a core. The alloys contains low level of quantities of rare earth and alkaline earth dopant elements. Upon oxidation at high temperatures, and superconducting oxide phases are formed as a thin film.

Systems and methods for detecting x-rays

DOEpatents

Bross, Alan D.; Mellott, Kerry L.; Pla-Dalmau, Anna

2006-05-02

Systems and methods for detecting x-rays are disclosed herein. One or more x-ray-sensitive scintillators can be configured from a plurality of heavy element nano-sized particles and a plastic material, such as polystyrene. As will be explained in greater detail herein, the heavy element nano-sized particles (e.g., PbWO₄) can be compounded into the plastic material with at least one dopant that permits the plastic material to scintillate. X-rays interact with the heavy element nano-sized particles to produce electrons that can deposit energy in the x-ray sensitive scintillator, which in turn can produce light.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Seña, N.; Dussan, A.; Mesa, F.

We have carried out first-principles spin polarized calculations to obtain comprehensive information regarding the structural, magnetic, and electronic properties of the Mn-doped GaSb compound with dopant concentrations: x = 0.062, 0.083, 0.125, 0.25, and 0.50. The plane-wave pseudopotential method was used in order to calculate total energies and electronic structures. It was found that the Mn{sub Ga} substitution is the most stable configuration with a formation energy of ∼1.60 eV/Mn-atom. The calculated density of states shows that the half-metallic ferromagnetism is energetically stable for all dopant concentrations with a total magnetization of about 4.0 μ{sub B}/Mn-atom. The results indicate that the magnetic ground statemore » originates from the strong hybridization between Mn-d and Sb-p states, which agree with previous studies on Mn-doped wide gap semiconductors. This study gives new clues to the fabrication of diluted magnetic semiconductors.« less

Multicolor tuning of manganese-doped ZnS colloidal nanocrystals.

PubMed

Quan, Zewei; Yang, Dongmei; Li, Chunxia; Kong, Deyan; Yang, Piaoping; Cheng, Ziyong; Lin, Jun

2009-09-01

In this paper, we report a facile route which is based on tuning doping concentration of Mn(2+) ions in ZnS nanocrystals, to achieve deliberate color modulation from blue to orange-yellow under single-wavelength excitation. X-ray diffraction (XRD), transmission electron microscopy (TEM), as well as photoluminescence (PL) spectra were employed to characterize the obtained samples. In this process, the relative emission intensities of both ZnS host (blue) and Mn(2+) dopant (orange-yellow) are sensitive to the Mn(2+) doping concentration, due to the energy transfer from ZnS host to Mn(2+) dopant. As a result of fine-tuning of these two emission components, white emission can be realized for Mn(2+)-doped ZnS nanocrystals. Furthermore, the as-synthesized doped nanocrystals possess extremely narrow size distribution and can be readily transferred into aqueous solution for the next potential applications.

Defect Chemistry and Plasmon Physics of Colloidal Metal Oxide Nanocrystals.

PubMed

Lounis, Sebastien D; Runnerstrom, Evan L; Llordés, Anna; Milliron, Delia J

2014-05-01

Plasmonic nanocrystals of highly doped metal oxides have seen rapid development in the past decade and represent a class of materials with unique optoelectronic properties. In this Perspective, we discuss doping mechanisms in metal oxides and the accompanying physics of free carrier scattering, both of which have implications in determining the properties of localized surface plasmon resonances (LSPRs) in these nanocrystals. The balance between activation and compensation of dopants limits the free carrier concentration of the most common metal oxides, placing a ceiling on the LSPR frequency. Furthermore, because of ionized impurity scattering of the oscillating plasma by dopant ions, scattering must be treated in a fundamentally different way in semiconductor metal oxide materials when compared with conventional metals. Though these effects are well-understood in bulk metal oxides, further study is needed to understand their manifestation in nanocrystals and corresponding impact on plasmonic properties, and to develop materials that surpass current limitations in free carrier concentration.

Impacts of Co doping on ZnO transparent switching memory device characteristics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simanjuntak, Firman Mangasa; Wei, Kung-Hwa; Prasad, Om Kumar

2016-05-02

The resistive switching characteristics of indium tin oxide (ITO)/Zn{sub 1−x}Co{sub x}O/ITO transparent resistive memory devices were investigated. An appropriate amount of cobalt dopant in ZnO resistive layer demonstrated sufficient memory window and switching stability. In contrast, pure ZnO devices demonstrated a poor memory window, and using an excessive dopant concentration led to switching instability. To achieve suitable memory performance, relying only on controlling defect concentrations is insufficient; the grain growth orientation of the resistive layer must also be considered. Stable endurance with an ON/OFF ratio of more than one order of magnitude during 5000 cycles confirmed that the Co-doped ZnOmore » device is a suitable candidate for resistive random access memory application. Additionally, fully transparent devices with a high transmittance of up to 90% at wavelength of 550 nm have been fabricated.« less

Effect of a Polymercaptan Material on the Electro-Optical Properties of Polymer-Dispersed Liquid Crystal Films.

PubMed

Sun, Yujian; Zhang, Cuihong; Zhou, Le; Fang, Hua; Huang, Jianhua; Ma, Haipeng; Zhang, Yi; Yang, Jie; Zhang, Lan-Ying; Song, Ping; Gao, Yanzi; Xiao, Jiumei; Li, Fasheng; Li, Kexuan

2016-12-30

Polymer-dispersed liquid crystal (PDLC) films were prepared by the ultraviolet-light-induced polymerization of photopolymerizable monomers in nematic liquid crystal/chiral dopant/thiol-acrylate reaction monomer composites. The effects of the chiral dopant and crosslinking agents on the electro-optical properties of the PDLC films were systematically investigate. While added the chiral dopant S811 into the PDLC films, the initial off-state transmittance of the films was decreased. It was found that the weight ratio among acrylate monomers, thiol monomer PETMP and the polymercaptan Capcure 3-800 showed great influence on the properties of the fabricated PDLC films because of the existence of competition between thiol-acrylate reaction and acrylate monomer polymerization reaction. While adding polymercaptans curing agent Capcure 3-800 with appropriate concentration into the PDLC system, lower driven voltage and higher contrast ratio were achieved. This made the polymer network and electro-optical properties of the PDLC films easily tunable by the introduction of the thiol monomers.

Methods for enhancing mapping of thermal fronts in oil recovery

DOEpatents

Lee, D.O.; Montoya, P.C.; Wayland, J.R. Jr.

1984-03-30

A method for enhancing the resistivity contrasts of a thermal front in an oil recovery production field as measured by the controlled source audio frequency magnetotelluric (CSAMT) technique is disclosed. This method includes the steps of: (1) preparing a CSAMT-determined topological resistivity map of the production field; (2) introducing a solution of a dopant material into the production field at a concentration effective to alter the resistivity associated with the thermal front; said dopant material having a high cation exchange capacity which might be selected from the group consisting of montmorillonite, illite, and chlorite clays; said material being soluble in the conate water of the production field; (3) preparing a CSAMT-determined topological resistivity map of the production field while said dopant material is moving therethrough; and (4) mathematically comparing the maps from step (1) and step (3) to determine the location of the thermal front. This method is effective with the steam flood, fire flood and water flood techniques.

Bulk dimensional nanocomposites for thermoelectric applications

DOEpatents

Nolas, George S

2014-06-24

Thermoelectric elements may be used for heat sensors, heat pumps, and thermoelectric generators. A quantum-dot or nano-scale grain size polycrystalline material the effects of size-quantization are present inside the nanocrystals. A thermoelectric element composed of densified Groups IV-VI material, such as calcogenide-based materials are doped with metal or chalcogenide to form interference barriers form along grains. The dopant used is either silver or sodium. These chalcogenide materials form nanoparticles of highly crystal grains, and may specifically be between 1- and 100 nm. The compound is densified by spark plasma sintering.

Hydrogen bonding intermolecular effect on electro-optical response of doped 6PCH nematic liquid crystal with some azo dyes

NASA Astrophysics Data System (ADS)

Kiani, S.; Zakerhamidi, M. S.; Tajalli, H.

2016-05-01

Previous studies on the electro-optical responses of dye-doped liquid crystal have shown that dopant material have a considerable effect on their electro-optical responses. Despite the studies carried out on electro-optical properties of dye-doped liquid crystal, no attention has been paid to study of the interaction and structural effects in this procedure. In this paper, linear dyes and with similar structure were selected as dopants. The only difference in used dyes is the functional groups in their tails. So, doping of these dyes into liquid crystals determines the influence of interaction type on electro-optical behaviours of the doped systems. Therefore, in this work, two aminoazobenzene (;A-dye;: hydrogen bond donor) and dimethyl-aminoazobenzene (;B-dye;) dyes with different compositional percentages in liquid crystal host were used. Electro-optical Kerr behaviour, the pre-transition temperature and third order nonlinear susceptibility were investigated. The obtained results effectively revealed that type of interactions between the dye and liquid crystal is determinative of behavioral difference of doped system, compared to pure liquid crystal. Also, pre-transitional behaviour and thereupon Kerr electro-optical responses were affected by formed interactions into doped systems. In other words, it will be shown that addition of any dopants in liquid crystal, regardless of the nature of interactions, cannot cause appropriate electro-optical responses. In fact, type of dye, nature of interactions between dopant and liquid crystalline host as well as concentration of dye are the key factors in selecting the appropriate liquid crystal and dopant dye.

Atomistic Interrogation of B–N Co-dopant Structures and Their Electronic Effects in Graphene

DOE PAGES

Schiros, Theanne; Nordlund, Dennis; Palova, Lucia; ...

2016-06-21

Chemical doping has been demonstrated to be an effective method for producing high-quality, large-area graphene with controlled carrier concentrations and an atomically tailored work function. Furthermore, the emergent optoelectronic properties and surface reactivity of carbon nanostructures are dictated by the microstructure of atomic dopants. Co-doping of graphene with boron and nitrogen offers the possibility to further tune the electronic properties of graphene at the atomic level, potentially creating p- and n-type domains in a single carbon sheet, opening a gap between valence and conduction bands in the 2-D semimetal. When using a suite of high-resolution synchrotron-based X-ray techniques, scanning tunnelingmore » microscopy, and density functional theory based computation we visualize and characterize B–N dopant bond structures and their electronic effects at the atomic level in single-layer graphene grown on a copper substrate. We find there is a thermodynamic driving force for B and N atoms to cluster into BNC structures in graphene, rather than randomly distribute into isolated B and N graphitic dopants, although under the present growth conditions, kinetics limit segregation of large B–N domains. We also observe that the doping effect of these BNC structures, which open a small band gap in graphene, follows the B:N ratio (B > N, p-type; B < N, n-type; B=N, neutral). We attribute this to the comparable electron-withdrawing and -donating effects, respectively, of individual graphitic B and N dopants, although local electrostatics also play a role in the work function change.« less

Characterization of Electrostatic Potential and Trapped Charge in Semiconductor Nanostructures using Off-Axis Electron Holography

NASA Astrophysics Data System (ADS)

Gan, Zhaofeng

Off-axis electron holography (EH) has been used to characterize electrostatic potential, active dopant concentrations and charge distribution in semiconductor nanostructures, including ZnO nanowires (NWs) and thin films, ZnTe thin films, Si NWs with axial p-n junctions, Si-Ge axial heterojunction NWs, and Ge/Li xGe core/shell NW. The mean inner potential (MIP) and inelastic mean free path (IMFP) of ZnO NWs have been measured to be 15.3V+/-0.2V and 55+/-3nm, respectively, for 200keV electrons. These values were then used to characterize the thickness of a ZnO nano-sheet and gave consistent values. The MIP and IMFP for ZnTe thin films were measured to be 13.7+/-0.6V and 46+/-2nm, respectively, for 200keV electrons. A thin film expected to have a p-n junction was studied, but no signal due to the junction was observed. The importance of dynamical effects was systematically studied using Bloch wave simulations. The built-in potentials in Si NWs across the doped p-n junction and the Schottky junction due to Au catalyst were measured to be 1.0+/-0.3V and 0.5+/-0.3V, respectively. Simulations indicated that the dopant concentrations were ~1019cm-3 for donors and ~1017 cm-3 for acceptors. The effects of positively charged Au catalyst, a possible n+-n --p junction transition region and possible surface charge, were also systematically studied using simulations. Si-Ge heterojunction NWs were studied. Dopant concentrations were extracted by atom probe tomography. The built-in potential offset was measured to be 0.4+/-0.2V, with the Ge side lower. Comparisons with simulations indicated that Ga present in the Si region was only partially activated. In situ EH biasing experiments combined with simulations indicated the B dopant in Ge was mostly activated but not the P dopant in Si. I-V characteristic curves were measured and explained using simulations. The Ge/LixGe core/shell structure was studied during lithiation. The MIP for LixGe decreased with time due to increased Li content. A model was proposed to explain the lower measured Ge potential, and the trapped electron density in Ge core was calculated to be 3x1018 electrons/cm3. The Li amount during lithiation was also calculated using MIP and volume ratio, indicating that it was lower than the fully lithiated phase.

Estimation of electron–phonon coupling and Urbach energy in group-I elements doped ZnO nanoparticles and thin films by sol–gel method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vettumperumal, R.; Kalyanaraman, S., E-mail: mayura_priya2003@yahoo.co.in; Santoshkumar, B.

Highlights: • Comparison of group-I elements doped ZnO nanoparticles and thin films. • Calculation of electron–phonon coupling and phonon lifetime from Raman spectroscopy. • Estimation of interband states from Urbach energy. - Abstract: Group-I (Li, Na, K & Cs) elements doped ZnO nanoparticles (NPs) and thin films were prepared using sol–gel method. XRD data and TEM images confirm the absence of any other secondary phase different from wurtzite type ZnO. Spherical shapes of grains are observed from the surfaces of doped ZnO films by atomic force microscope images (AFM) and presences of dopants are confirmed from energy dispersive X-ray spectra.more » The Raman active E{sub 2} (high), E{sub 2} (low), E{sub 1} and A{sub 1} (LO) modes are observed from both ZnO NPs and thin films. First-order longitudinal optical (LO) phonon is found to have contributions from direct band transition and localized excitons. Electron–phonon coupling, phonon lifetime and deformation energy of ZnO are calculated based on the effect of dopants with respect to the multiple Raman LO phonon scattering. Presence of localized interbands states in doped ZnO NPs and thin films are found from the Urbach energy calculations.« less

N-Type delta Doping of High-Purity Silicon Imaging Arrays

NASA Technical Reports Server (NTRS)

Blacksberg, Jordana; Hoenk, Michael; Nikzad, Shouleh

2005-01-01

A process for n-type (electron-donor) delta doping has shown promise as a means of modifying back-illuminated image detectors made from n-doped high-purity silicon to enable them to detect high-energy photons (ultraviolet and x-rays) and low-energy charged particles (electrons and ions). This process is applicable to imaging detectors of several types, including charge-coupled devices, hybrid devices, and complementary metal oxide/semiconductor detector arrays. Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac delta function (impulse function): the dopant is highly concentrated in a very thin layer. Preferably, the dopant is concentrated in one or at most two atomic layers in a crystal plane and, therefore, delta doping is also known as atomic-plane doping. The use of doping to enable detection of high-energy photons and low-energy particles was reported in several prior NASA Tech Briefs articles. As described in more detail in those articles, the main benefit afforded by delta doping of a back-illuminated silicon detector is to eliminate a "dead" layer at the back surface of the silicon wherein high-energy photons and low-energy particles are absorbed without detection. An additional benefit is that the delta-doped layer can serve as a back-side electrical contact. Delta doping of p-type silicon detectors is well established. The development of the present process addresses concerns specific to the delta doping of high-purity silicon detectors, which are typically n-type. The present process involves relatively low temperatures, is fully compatible with other processes used to fabricate the detectors, and does not entail interruption of those processes. Indeed, this process can be the last stage in the fabrication of an imaging detector that has, in all other respects, already been fully processed, including metallized. This process includes molecular-beam epitaxy (MBE) for deposition of three layers, including metallization. The success of the process depends on accurate temperature control, surface treatment, growth of high-quality crystalline silicon, and precise control of thicknesses of layers. MBE affords the necessary nanometer- scale control of the placement of atoms for delta doping. More specifically, the process consists of MBE deposition of a thin silicon buffer layer, the n-type delta doping layer, and a thin silicon cap layer. The n dopant selected for initial experiments was antimony, but other n dopants as (phosphorus or arsenic) could be used. All n-type dopants in silicon tend to surface-segregate during growth, leading to a broadened dopant-concentration- versus-depth profile. In order to keep the profile as narrow as possible, the substrate temperature is held below 300 C during deposition of the silicon cap layer onto the antimony delta layer. The deposition of silicon includes a silicon- surface-preparation step, involving H-termination, that enables the growth of high-quality crystalline silicon at the relatively low temperature with close to full electrical activation of donors in the surface layer.

Relationship of Open-Circuit Voltage to CdTe Hole Concentration and Lifetime

DOE Office of Scientific and Technical Information (OSTI.GOV)

Duenow, Joel N.; Burst, James M.; Albin, David S.

We investigate the correlation of bulk CdTe and CdZnTe material properties with experimental open-circuit voltage (Voc) through fabrication and characterization of diverse single-crystal solar cells with different dopants. Several distinct crystal types reach Voc >900 mV. Correlations are in general agreement with Voc limits modeled from bulk minority-carrier lifetime and hole concentration.

CaSO4:DY,Mn: A new and highly sensitive thermoluminescence phosphor for versatile dosimetry

NASA Astrophysics Data System (ADS)

Bahl, Shaila; Lochab, S. P.; Kumar, Pratik

2016-02-01

With the advent of newer techniques for dose reduction coupled with the development of more sensitive detectors, the radiation doses in radiological medical investigation are decreasing. Nevertheless, keeping the tenet in mind that all radiation doses could entail risk, there is a need to develop more sensitive dosimeters capable of measuring low doses. This paper gives the account of the development of a new and sensitive phosphor CaSO4:Dy,Mn and its characterization. The standard production procedure based on the recrystallization method was used to prepare CaSO4:Dy,Mn. The Thermoluminescence (TL) studies were carried out by exposing it with gamma radiation (Cs-137) from 10 μGy to 100 Gy. The theoretical studies to determine the number of peaks and kinetic parameters related to the TL glow peaks in CaSO4:Dy,Mn was performed using the Computerized Glow Curve Deconvolution (CGCD) method. Experiments were performed to determine optimum concentration of the dopants Dysprosium (Dy) and Mangnese (Mn) in the host CaSO4 so that maximum sensitivity of the phosphor may be achieved. The optimum dopant concentration turned out to be 0.1 mol%. As there were two dopants Dy and Mn their relative ratio were varied in steps of 0.025 keeping the concentration of total dopant (Dy and Mn) 0.1 mol% always. The maximum TL intensity was seen in the CaSO4:Dy(0.025),Mn(0.075) combination. The TL sensitivity of this phosphor was found to be about 2 and 1.8 times higher than that of popular phosphor CaSO4:Dy and LiF:Mg,Cu,P (TLD-700H) respectively. This new phosphor CaSO4:Dy,Mn showed fading of 11% which is similar to that of the standard phosphor CaSO4:Dy. The paper concludes that the new, highly sensitive TL phosphor CaSO4:Dy,Mn has shown higher sensitivity and hence the potential to replace commonly used CaSO4:Dy.

Natural convection in melt crystal growth - The influence of flow pattern on solute segregation

NASA Technical Reports Server (NTRS)

Brown, R. A.; Yamaguchi, Y.; Chang, C. J.

1982-01-01

The results of two lines of research aimed at calculating the structure of the flows driven by buoyancy in small-scale crystal growth systems and at understanding the coupling between these flows, the shape of the solidification interface, and dopant segregation in the crystal are reviewed. First, finite-element methods are combined with computer-aided methods for detecting multiple steady solutions to analyze the structure of the buoyancy-driven axisymmetric flows in a vertical cylinder heated from below. This system exhibits onset of convection, multiple steady flows, and loss of the primary stable flow beyond a critical value of the Rayleigh number. Second, results are presented for calculations of convection, melt/solid interface shape, and dopant segregation within a vertical ampoule with thermal boundary conditions that represent a prototype of the vertical Bridgman growth system.

Computer modelling of BaY2F8: defect structure, rare earth doping and optical behaviour

NASA Astrophysics Data System (ADS)

Amaral, J. B.; Couto Dos Santos, M. A.; Valerio, M. E. G.; Jackson, R. A.

2005-10-01

BaY2F8, when doped with rare earth elements, is a material of interest in the development of solid-state laser systems, especially for use in the infrared region. This paper presents the application of a computational technique, which combines atomistic modelling and crystal field calculations, in a study of rare earth doping of the material. Atomistic modelling is used to calculate the intrinsic defect structure and the symmetry and detailed geometry of the dopant ion-host lattice system, and this information is then used to calculate the crystal field parameters, which are an important indicator in assessing the optical behaviour of the dopant-crystal system. Energy levels are then calculated for the Dy3+-substituted material, and comparisons with the results of recent experimental work are made.

Nitrogen-Doped Hollow Carbon Nanospheres for High-Performance Li-Ion Batteries.

PubMed

Yang, Yufen; Jin, Song; Zhang, Zhen; Du, Zhenzhen; Liu, Huarong; Yang, Jia; Xu, Hangxun; Ji, Hengxing

2017-04-26

N-doped carbon materials is of particular attraction for anodes of lithium-ion batteries (LIBs) because of their high surface areas, superior electrical conductivity, and excellent mechanical strength, which can store energy by adsorption/desorption of Li + at the interfaces between the electrolyte and electrode. By directly carbonization of zeolitic imidazolate framework-8 nanospheres synthesized by an emulsion-based interfacial reaction, we obtained N-doped hollow carbon nanospheres with tunable shell thickness (20 nm to solid sphere) and different N dopant concentrations (3.9 to 21.7 at %). The optimized anode material possessed a shell thickness of 20 nm and contained 16.6 at % N dopants that were predominately pyridinic and pyrrolic. The anode delivered a specific capacity of 2053 mA h g -1 at 100 mA g -1 and 879 mA h g -1 at 5 A g -1 for 1000 cycles, implying a superior cycling stability. The improved electrochemical performance can be ascribed to (1) the Li + adsorption dominated energy storage mechanism prevents the volume change of the electrode materials, (2) the hollow nanostructure assembled by the nanometer-sized primary particles prevents the agglomeration of the nanoparticles and favors for Li + diffusion, (3) the optimized N dopant concentration and configuration facilitate the adsorption of Li + ; and (4) the graphitic carbon nanostructure ensures a good electrical conductivity.

Electrically conductive nanostructured silver doped zinc oxide (Ag:ZnO) prepared by solution-immersion technique

DOE Office of Scientific and Technical Information (OSTI.GOV)

Afaah, A. N., E-mail: afaahabdullah@yahoo.com; Asib, N. A. M., E-mail: amierahasib@yahoo.com; Aadila, A., E-mail: aadilaazizali@gmail.com

2016-07-06

p-type ZnO films have been fabricated on ZnO-seeded glass substrate, using AgNO{sub 3} as a source of silver dopant by facile solution-immersion. Cleaned glass substrate were seeded with ZnO by mist-atomisation, and next the seeded substrates were immersed in Ag:ZnO solution. The effects of Ag doping concentration on the Ag-doped ZnO have been investigated. The substrates were immersed in different concentrations of Ag dopant with variation of 0, 1, 3, 5 and 7 at. %. The surface morphology of the films was characterized by field emission scanning electron microscope (FESEM). In order to investigate the electrical properties, the films weremore » characterized by Current-Voltage (I-V) measurement. FESEM micrographs showed uniform distribution of nanostructured ZnO and Ag:ZnO. Besides, the electrical properties of Ag-doped ZnO were also dependent on the doping concentration. The I-V measurement result indicated the electrical properties of 1 at. % Ag:ZnO thin film owned highest electrical conductivity.« less

Genetic algorithm based approach to investigate doped metal oxide materials: Application to lanthanide-doped ceria

NASA Astrophysics Data System (ADS)

Hooper, James; Ismail, Arif; Giorgi, Javier B.; Woo, Tom K.

2010-06-01

A genetic algorithm (GA)-inspired method to effectively map out low-energy configurations of doped metal oxide materials is presented. Specialized mating and mutation operations that do not alter the identity of the parent metal oxide have been incorporated to efficiently sample the metal dopant and oxygen vacancy sites. The search algorithms have been tested on lanthanide-doped ceria (L=Sm,Gd,Lu) with various dopant concentrations. Using both classical and first-principles density-functional-theory (DFT) potentials, we have shown the methodology reproduces the results of recent systematic searches of doped ceria at low concentrations (3.2% L2O3 ) and identifies low-energy structures of concentrated samarium-doped ceria (3.8% and 6.6% L2O3 ) which relate to the experimental and theoretical findings published thus far. We introduce a tandem classical/DFT GA algorithm in which an inexpensive classical potential is first used to generate a fit gene pool of structures to enhance the overall efficiency of the computationally demanding DFT-based GA search.

Current Thoughts on Reactive Element Effects in Alumina-Forming Systems: In Memory of John Stringer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Naumenko, D.; Pint, B. A.; Quadakkers, W. J.

In memory of John Stringer (1934–2014), one of the leaders in studying the reactive element (RE) effects, this paper reviews the current status of understanding of the effect of RE dopants on high-temperature oxidation behavior, with an emphasis on recent research related to deploying alumina-forming alloys and coatings with optimal performance in commercial systems. Additionally, to the well-known interaction between indigenous sulfur and RE additions, effects have been observed with C, N, and O found in commercial alloys and coatings. While there are many similarities between alumina-forming alloys and coatings, the latter bring additional complicating factors such as the effectsmore » of O incorporation during thermal spraying MCrAlY coatings, coating roughness, and heat treatments that must be considered in optimizing the beneficial dopant addition. We can see analogies between RE effects in alloys and in the substrates beneath diffusion M–Al coatings. Recently, there has been more interest in the influence of mixed oxidant environments, since these may modify the manifestation of the RE effect. Some thoughts are provided on optimizing the RE benefit and modeling oxidation of RE-doped alloys.« less

Current Thoughts on Reactive Element Effects in Alumina-Forming Systems: In Memory of John Stringer

DOE PAGES

Naumenko, D.; Pint, B. A.; Quadakkers, W. J.

2016-05-06

In memory of John Stringer (1934–2014), one of the leaders in studying the reactive element (RE) effects, this paper reviews the current status of understanding of the effect of RE dopants on high-temperature oxidation behavior, with an emphasis on recent research related to deploying alumina-forming alloys and coatings with optimal performance in commercial systems. Additionally, to the well-known interaction between indigenous sulfur and RE additions, effects have been observed with C, N, and O found in commercial alloys and coatings. While there are many similarities between alumina-forming alloys and coatings, the latter bring additional complicating factors such as the effectsmore » of O incorporation during thermal spraying MCrAlY coatings, coating roughness, and heat treatments that must be considered in optimizing the beneficial dopant addition. We can see analogies between RE effects in alloys and in the substrates beneath diffusion M–Al coatings. Recently, there has been more interest in the influence of mixed oxidant environments, since these may modify the manifestation of the RE effect. Some thoughts are provided on optimizing the RE benefit and modeling oxidation of RE-doped alloys.« less

Theory and Application of Photoelectron Diffraction for Complex Oxide Systems

NASA Astrophysics Data System (ADS)

Chassé, Angelika; Chassé, Thomas

2018-06-01

X-ray photoelectron diffraction (XPD) has been used to investigate film structures and local sites of surface and dopant atoms in complex oxide materials. We have performed angular-resolved measurements of intensity distribution curves (ADCs) and patterns (ADPs) of elemental core level intensities from binary to quaternary mixed oxide samples and compared them to multiple-scattering cluster (MSC) calculations in order to derive information on structural models and related parameters. MSC calculations permitted to describe both bulk diffraction features of binary oxide MnO(001) and the thickness-dependence of the tetragonal distortion of epitaxial MnO films on Ag(001). XPD was further used to investigate the surface termination of perovskite SrTiO3 and BaTiO3 substrates in order to evaluate influence of different ex situ and in situ preparation procedures on the surface layers, which are crucial for quality of following film growth. Despite the similarity of local environments of Sr (Ba) and Ti atoms in the perovskite film structure an angular region in the ADCs was identified as a fingerprint with the help of MSC simulations which provided clear conclusions on the perovskite oxide surfaces. Dopant sites in quaternary perovskite manganites La1-xCaxMnO3, La1-xSrxMnO3, and La1-xCexMnO3 were studied with polar angle scans of the photoemission intensities of host and dopant atoms. Both direct comparison of experimental ADCs and to the simulations within MSC models confirm the occupation of A sites by the dopants and the structural quality of the complex oxide films.

Device Engineering and Degradation Mechanism Study of All-Phosphorescent White Organic Light-Emitting Diodes

NASA Astrophysics Data System (ADS)

Xu, Lisong

As a possible next-generation solid-state lighting source, white organic light-emitting diodes (WOLEDs) have the advantages in high power efficiency, large area and flat panel form factor applications. Phosphorescent emitters and multiple emitting layer structures are typically used in high efficiency WOLEDs. However due to the complexity of the device structure comprising a stack of multiple layers of organic thin films, ten or more organic materials are usually required, and each of the layers in the stack has to be optimized to produce the desired electrical and optical functions such that collectively a WOLED of the highest possible efficiency can be achieved. Moreover, device degradation mechanisms are still unclear for most OLED systems, especially blue phosphorescent OLEDs. Such challenges require a deep understanding of the device operating principles and materials/device degradation mechanisms. This thesis will focus on achieving high-efficiency and color-stable all-phosphorescent WOLEDs through optimization of the device structures and material compositions. The operating principles and the degradation mechanisms specific to all-phosphorescent WOLED will be studied. First, we investigated a WOLED where a blue emitter was based on a doped mix-host system with the archetypal bis(4,6-difluorophenyl-pyridinato-N,C2) picolinate iridium(III), FIrpic, as the blue dopant. In forming the WOLED, the red and green components were incorporated in a single layer adjacent to the blue layer. The WOLED efficiency and color were optimized through variations of the mixed-host compositions to control the electron-hole recombination zone and the dopant concentrations of the green-red layers to achieve a balanced white emission. Second, a WOLED structure with two separate blue layers and an ultra-thin red and green co-doped layer was studied. Through a systematic investigation of the placement of the co-doped red and green layer between the blue layers and the material compositions of these layers, we were able to achieve high-efficiency WOLEDs with controllable white emission characteristics. We showed that we can use the ultra-thin co-doped layer and two blue emitting layers to manipulate exciton confinement to certain zones and energy transfer pathways between the various hosts and dopants. Third, a blue phosphorescent dopant tris[1-(2,6-diisopropylphenyl)-2-phenyl-1H-imidazole]iridium(III) (Ir(iprpmi)3) with a low ionization potential (HOMO 4.8 eV) and propensity for hole-trapping was studied in WOLEDs. In a bipolar host, 2,6-bis(3-(carbazol-9-yl)phenyl)-pyridine (DCzPPy), Ir(iprpmi)3 was found to trap holes at low concentrations but transport holes at higher concentrations. By adjusting the dopant concentration and thereby the location of the recombination zone, we were able to demonstrate blue and white OLEDs with external quantum efficiencies over 20%. The fabricated WOLEDs shows high color stability over a wide range of luminance. Moreover, the device lifetime has also been improved with Ir(iprpmi)3 as the emitter compared to FIrpic. Last, we analyzed OLED degradation using Laser Desorption Time-Of-Flight Mass Spectrometry (LDI-TOF-MS) technique. By carefully and systematically comparing the LDI-TOF patterns of electrically/optically stressed and controlled (unstressed) OLED devices, we were able to identify some prominent degradation byproducts and trace possible chemical pathways involving specific host and dopant materials.

Towards the development of high temperature comparison artifacts for radiation thermometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teixeira, R. N.; Machin, G.; Orlando, A.

This paper describes the methodology and first results of the development of high temperature fixed point artifacts of unknown temperature suitable for scale comparison purposes. This study is being undertaken at the Thermal Metrology Division of Inmetro, Brazil, as part of PhD studies. In this initial phase of the study two identical cobalt carbon eutectic cells were constructed and one doped with a known amount of copper. This was an attempt to achieve a controlled change in the transition temperature of the alloy during melting. Copper was chosen due to the relatively simple phase diagram it forms with carbon andmore » cobalt. The cobalt, in powder form, was supplied by Alfa Aesar at 99.998 % purity, and was mixed with carbon powder (1,9 % by weight) of 99.9999 % purity. Complete filling of the crucible took 6 steps and was performed in a vertical furnace with graphite heating elements, in an inert gas atmosphere. The temperature measurements were performed using a KE LP3 radiation thermometer, which was previously evaluated for spectral responsivity, linearity and size-of-source effect (SSE). During these measurements, the thermometer stability was periodically checked using a silver fixed point blackbody maintained in a three zone furnace. The main purpose of the first part of this study is to dope a series of Co-C blackbody with differing amounts of copper, in order to alter their temperatures whilst still retaining good melting plateau performance. The long-term stability of the adjusted transition temperatures will also be investigated. Other dopants will be studied as the research progresses, and thermo chemical modeling will be performed in an attempt to understand the change in temperature with dopant concentration and so help select suitable dopants in the future. The overall objective is to construct comparison artifacts that have good performance, in terms of plateau shape and long-term temperature stability, but with unknown temperatures. These can then be used as comparison artifacts with no participant, except the pilot, knowing the temperature a priori.« less

Pure and Sn-doped ZnO films produced by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Holmelund, E.; Schou, J.; Tougaard, S.; Larsen, N. B.

2002-09-01

A new technique, metronome doping, has been used for doping of films during pulsed laser deposition (PLD). This technique makes it possible to dope continuously during film growth with different concentrations of a dopant in one deposition sequence. Films of pure and doped ZnO have been produced with Sn concentrations up to 16%. The specific resistivity is found to increase and the transmission of visible light to decrease with increasing Sn concentration.

The effect of dopants on laser imprint mitigation

NASA Astrophysics Data System (ADS)

Phillips, Lee; Gardner, John H.; Bodner, Stephen E.; Colombant, Denis; Dahlburg, Jill

1999-11-01

An intact implosion of a pellet for direct-drive ICF requires that the perturbations imprinted by the laser be kept below some threshold. We report on simulations of targets that incorporate very small concentrations of a high-Z dopant in the ablator, to increase the electron density in the ablating plasma, causing the laser to be absorbed far enough from the solid ablator to achieve a substantial degree of thermal smoothing. These calculations were performed using NRL's FAST radiation hydrodynamics code(J.H. Gardner, A.J. Schmitt, et al., Phys. Plasmas) 5, 1935 (1998), incorporating the flux-corrected transport algorithm and opacities generated by an STA code, with non-LTE radiation transport based on the Busquet method.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Jie; He, Yunteng; Kong, Wei, E-mail: wei.kong@oregonstate.edu

We report electron diffraction of ferrocene doped in superfluid helium droplets. By taking advantage of the velocity slip in our pulsed droplet beam using a pulsed electron gun, and by doping with a high concentration of ferrocene delivered via a pulsed valve, we can obtain high quality diffraction images from singly doped droplets. Under the optimal doping conditions, 80% of the droplets sampled in the electron beam are doped with just one ferrocene molecule. Extension of this size selection method to dopant clusters has also been demonstrated. However, incomplete separation of dopant clusters might require deconvolution and modeling of themore » doping process. This method can be used for studies of nucleation processes in superfluid helium droplets.« less

Altering properties of cerium oxide thin films by Rh doping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ševčíková, Klára, E-mail: klarak.sevcikova@seznam.cz; NIMS Beamline Station at SPring-8, National Institute for Materials Science, Sayo, Hyogo 679-5148; Nehasil, Václav, E-mail: nehasil@mbox.troja.mff.cuni.cz

2015-07-15

Highlights: • Thin films of ceria doped by rhodium deposited by RF magnetron sputtering. • Concentration of rhodium has great impact on properties of Rh–CeO{sub x} thin films. • Intensive oxygen migration in films with low concentration of rhodium. • Oxygen migration suppressed in films with high amount of Rh dopants. - Abstract: Ceria containing highly dispersed ions of rhodium is a promising material for catalytic applications. The Rh–CeO{sub x} thin films with different concentrations of rhodium were deposited by RF magnetron sputtering and were studied by soft and hard X-ray photoelectron spectroscopies, Temperature programmed reaction and X-ray powder diffractionmore » techniques. The sputtered films consist of rhodium–cerium mixed oxide where cerium exhibits a mixed valency of Ce{sup 4+} and Ce{sup 3+} and rhodium occurs in two oxidation states, Rh{sup 3+} and Rh{sup n+}. We show that the concentration of rhodium has a great influence on the chemical composition, structure and reducibility of the Rh–CeO{sub x} thin films. The films with low concentrations of rhodium are polycrystalline, while the films with higher amount of Rh dopants are amorphous. The morphology of the films strongly influences the mobility of oxygen in the material. Therefore, varying the concentration of rhodium in Rh–CeO{sub x} thin films leads to preparing materials with different properties.« less

Characterization of n-Type and p-Type Long-Wave InAs/InAsSb Superlattices

NASA Astrophysics Data System (ADS)

Brown, A. E.; Baril, N.; Zuo, D.; Almeida, L. A.; Arias, J.; Bandara, S.

2017-09-01

The influence of dopant concentration on both in-plane mobility and minority carrier lifetime in long-wave infrared InAs/InAsSb superlattices (SLs) was investigated. Unintentially doped ( n-type) and various concentrations of Be-doped ( p-type) SLs were characterized using variable-field Hall and photoconductive decay techniques. Minority carrier lifetimes in p-type InAs/InAsSb SLs are observed to decrease with increasing carrier concentration, with the longest lifetime at 77 K determined to be 437 ns, corresponding to a measured carrier concentration of p 0 = 4.1 × 1015 cm-3. Variable-field Hall technique enabled the extraction of in-plane hole, electron, and surface electron transport properties as a function of temperature. In-plane hole mobility is not observed to change with doping level and increases with reducing temperature, reaching a maximum at the lowest temperature measured of 30 K. An activation energy of the Be-dopant is determined to be 3.5 meV from Arrhenius analysis of hole concentration. Minority carrier electrons populations are suppressed at the highest Be-doping levels, but mobility and concentration values are resolved in lower-doped samples. An average surface electron conductivity of 3.54 × 10-4 S at 30 K is determined from the analysis of p-type samples. Effects of passivation treatments on surface conductivity will be presented.

View from... JSAP Spring Meeting: A marriage of materials and optics

NASA Astrophysics Data System (ADS)

Horiuchi, Noriaki

2017-04-01

A laser-annealing technique for increasing the dopant concentration in semiconductors, the creation of a glass with second-order optical nonlinearity and the realization of optical topological insulators were highlights at the Japan Society of Applied Physics Spring Meeting.

Photoluminescence imaging of solitary dopant sites in covalently doped single-wall carbon nanotubes

DOE PAGES

Hartmann, Nicolai F.; Yalcin, Sibel Ebru; Adamska, Lyudmyla; ...

2015-11-11

Covalent dopants in semiconducting single wall carbon nanotubes (SWCNTs) are becoming important as routes for introducing new photoluminescent emitting states with potential for enhanced quantum yields, new functionality, and as species capable of near-IR room-temperature single photon emission. The origin and behavior of the dopant-induced emission is thus important to understand as a key requirement for successful room-T photonics and optoelectronics applications. Here, we use direct correlated two-color photoluminescence imaging to probe how the interplay between the SWCNT bright E 11 exciton and solitary dopant sites yields the dopant-induced emission for three different dopant species: oxygen, 4-methoxybenzene, and 4-bromobenzene. Wemore » introduce a route to control dopant functionalization to a low level as a means for introducing spatially well-separated solitary dopant sites. Resolution of emission from solitary dopant sites and correlation to their impact on E 11 emission allows confirmation of dopants as trapping sites for localization of E 11 excitons following their diffusive transport to the dopant site. Imaging of the dopant emission also reveals photoluminescence intermittency (blinking), with blinking dynamics being dependent on the specific dopant. Density functional theory calculations were performed to evaluate the stability of dopants and delineate the possible mechanisms of blinking. Furthermore, theoretical modeling suggests that the trapping of free charges in the potential well created by permanent dipoles introduced by dopant atoms/groups is likely responsible for the blinking, with the strongest effects being predicted and observed for oxygen-doped SWCNTs.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kozlovski, V. V.; Lebedev, A. A.; Bogdanova, E. V.

The model of conductivity compensation in SiC under irradiation with high-energy electrons is presented. The following processes are considered to cause a decrease in the free carrier concentration: (i) formation of deep traps by intrinsic point defects, Frenkel pairs produced by irradiation; (ii) 'deactivation' of the dopant via formation of neutral complexes including a dopant atom and a radiation-induced point defect; and (iii) formation of deep compensating traps via generation of charged complexes constituted by a dopant atom and a radiation-induced point defect. To determine the compensation mechanism, dose dependences of the deep compensation of moderately doped SiC (CVD) undermore » electron irradiation have been experimentally studied. It is demonstrated that, in contrast to n-FZ-Si, moderately doped SiC (CVD) exhibits linear dependences (with a strongly nonlinear dependence observed for Si). Therefore, the conductivity compensation in silicon carbide under electron irradiation occurs due to deep traps formed by primary radiation defects (vacancies and interstitial atoms) in the silicon and carbon sublattices. It is known that the compensation in silicon is due to the formation of secondary radiation defects that include a dopant atom. It is shown that, in contrast to n-SiC (CVD), primary defects in only the carbon sublattice of moderately doped p-SiC (CVD) cannot account for the compensation process. In p-SiC, either primary defects in the silicon sublattice or defects in both sublattices are responsible for the conductivity compensation.« less

Effects of doping on ferroelectric properties and leakage current behavior of KNN-LT-LS thin films on SrTiO3 substrate

NASA Astrophysics Data System (ADS)

Abazari, M.; Safari, A.

2009-05-01

We report the effects of Ba, Ti, and Mn dopants on ferroelectric polarization and leakage current of (K0.44Na0.52Li0.04)(Nb0.84Ta0.1Sb0.06)O3 (KNN-LT-LS) thin films deposited by pulsed laser deposition. It is shown that donor dopants such as Ba2+, which increased the resistivity in bulk KNN-LT-LS, had an opposite effect in the thin film. Ti4+ as an acceptor B-site dopant reduces the leakage current by an order of magnitude, while the polarization values showed a slight degradation. Mn4+, however, was found to effectively suppress the leakage current by over two orders of magnitude while enhancing the polarization, with 15 and 23 μC/cm2 remanent and saturated polarization, whose values are ˜70% and 82% of the reported values for bulk composition. This phenomenon has been associated with the dual effect of Mn4+ in KNN-LT-LS thin film, by substituting both A- and B-site cations. A detailed description on how each dopant affects the concentrations of vacancies in the lattice is presented. Mn-doped KNN-LT-LS thin films are shown to be a promising candidate for lead-free thin films and applications.

Paramagnetic behavior of Co doped TiO{sub 2} nanocrystals controlled by self-purification mechanism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anitha, B.; Khadar, M. Abdul, E-mail: mabdulkhadar@rediffmail.com; Banerjee, Alok

Doping in nanocrystals is a challenging process because of the self- purification mechanism which tends to segregate out the dopants resulting in a greater dopant concentration near the surface than at the interior of nanocrystals. In the present work nanocrystals of TiO{sub 2} doped with different atom % of Co were synthesized by peroxide gel method. XRD analysis confirmed the tetragonal anatase structure and HRTEM images showed the rod-like morphology of the samples. Raman modes of anatase phase of TiO{sub 2} along with weak intensity peaks of Co{sub 3}O{sub 4} for higher Co dopant concentrations were observed for the samples.more » EPR measurements revealed the presence of cobalt in +2 oxidation state in the TiO{sub 2} matrix. SQUID measurements indicated paramagnetic behavior of the Co doped TiO{sub 2} nanocrystals. The paramagnetic behavior is attributed to an increased concentration of Co{sup 2+} ions and an increased presence of Co{sub 3}O{sub 4} phase near the surface of the TiO{sub 2} nanocrystals due to self-purification mechanism. - Graphical abstract: Variation of the intensity ratios of XRD peaks as a function of atomic ratio of Co. Inset: variation of structure factor for (101) reflection as a function of atomic ratio of Co. Display Omitted - Highlights: • Co doped TiO{sub 2} nanocrystals were synthesized by peroxide gel method. • HRTEM images showed Co doped TiO{sub 2} nanocrystals to be rod-like. • EPR spectra showed +2 oxidation states for Co in the samples. • Co doped TiO{sub 2} nanocrystals showed paramagnetic behavior.« less

Inhomogeneous Phase Effect of Smart Meta-Superconducting MgB2

NASA Astrophysics Data System (ADS)

Li, Yongbo; Chen, Honggang; Qi, Weichang; Chen, Guowei; Zhao, Xiaopeng

2018-05-01

The inhomogeneous phase of a smart meta-superconductor has a great effect on its superconductivity. In this paper, the effect of concentration, dimensions, electroluminescence (EL) intensity, and distribution of the inhomogeneous phase on the superconducting critical temperature (TC) has been systematically investigated. An ex situ solid sintering was utilized to prepare smart meta-superconducting MgB2 doped with six kinds of electroluminescent materials, such as YVO4{:}Eu^{3+} and Y2O3{:}Eu^{3+} flakes. Elemental mappings through energy dispersive spectroscopy (EDS) show that the inhomogeneous phase is comparatively uniformly dispersed around the MgB2 particles; thus V, Y, and Eu were accumulated at a small area. The measurement results show that the optimum doping concentration of the meta-superconducting MgB2 is 2.0 wt%. The offset temperature (TC^{{ off}}) of the sample doped with 2.0 wt% dopant A is 1.6 K higher than that of pure MgB2. The improvement in TC^{{ off}} is likely related to the sizes, thickness, and EL intensity of the inhomogeneous phase of MgB2 smart meta-superconductor. This experiment provides a novel approach to enhance TC.

Atomic Origins of Monoclinic-Tetragonal (Rutile) Phase Transition in Doped VO2 Nanowires.

PubMed

Asayesh-Ardakani, Hasti; Nie, Anmin; Marley, Peter M; Zhu, Yihan; Phillips, Patrick J; Singh, Sujay; Mashayek, Farzad; Sambandamurthy, Ganapathy; Low, Ke-Bin; Klie, Robert F; Banerjee, Sarbajit; Odegard, Gregory M; Shahbazian-Yassar, Reza

2015-11-11

There has been long-standing interest in tuning the metal-insulator phase transition in vanadium dioxide (VO2) via the addition of chemical dopants. However, the underlying mechanisms by which doping elements regulate the phase transition in VO2 are poorly understood. Taking advantage of aberration-corrected scanning transmission electron microscopy, we reveal the atomistic origins by which tungsten (W) dopants influence the phase transition in single crystalline WxV1-xO2 nanowires. Our atomically resolved strain maps clearly show the localized strain normal to the (122̅) lattice planes of the low W-doped monoclinic structure (insulator). These strain maps demonstrate how anisotropic localized stress created by dopants in the monoclinic structure accelerates the phase transition and lead to relaxation of structure in tetragonal form. In contrast, the strain distribution in the high W-doped VO2 structure is relatively uniform as a result of transition to tetragonal (metallic) phase. The directional strain gradients are furthermore corroborated by density functional theory calculations that show the energetic consequences of distortions to the local structure. These findings pave the roadmap for lattice-stress engineering of the MIT behavior in strongly correlated materials for specific applications such as ultrafast electronic switches and electro-optical sensors.

Reinventing solid state electronics: Harnessing quantum confinement in bismuth thin films

NASA Astrophysics Data System (ADS)

Gity, Farzan; Ansari, Lida; Lanius, Martin; Schüffelgen, Peter; Mussler, Gregor; Grützmacher, Detlev; Greer, J. C.

2017-02-01

Solid state electronics relies on the intentional introduction of impurity atoms or dopants into a semiconductor crystal and/or the formation of junctions between different materials (heterojunctions) to create rectifiers, potential barriers, and conducting pathways. With these building blocks, switching and amplification of electrical currents and voltages are achieved. As miniaturisation continues to ultra-scaled transistors with critical dimensions on the order of ten atomic lengths, the concept of doping to form junctions fails and forming heterojunctions becomes extremely difficult. Here, it is shown that it is not needed to introduce dopant atoms nor is a heterojunction required to achieve the fundamental electronic function of current rectification. Ideal diode behavior or rectification is achieved solely by manipulation of quantum confinement using approximately 2 nm thick films consisting of a single atomic element, the semimetal bismuth. Crucially for nanoelectronics, this approach enables room temperature operation.

Optical properties of rare earth doped transparent oxyfluoride glass ceramics

NASA Astrophysics Data System (ADS)

Mendez-Ramos, J.; Lavin, V.; Martin, I. R.; Rodriguez-Mendoza, U. R.; Rodriguez, V. D.; Lozano-Gorrin, A. D.; Nunez, P.

2003-01-01

Optical properties of Eu3+ ions in oxyfluoride glasses and glass ceramics doped with low concentration (0.1 mol%) have been analysed and compared with previous results for high concentrated samples (2.5 mol%). The Eu3+ ions in the low dopant concentration glass ceramics are diluted into like crystalline environments with higher symmetry and lower coupled phonons energy than in the precursor glasses. Fluorescence line narrowing measurements indicate the presence of two main fluoride site distributions for the Eu3+ ions in these low concentrated glass ceramics.

Defect Clustering and Nano-phase Structure Characterization of Multicomponent Rare Earth-Oxide-Doped Zirconia-Yttria Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

2004-01-01

Advanced thermal barrier coatings (TBCs) have been developed by incorporating multicomponent rare earth oxide dopants into zirconia-based thermal barrier coatings to promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nanophases within the coating systems. In this paper, the defect clusters, induced by Nd, Gd, and Yb rare earth dopants in the zirconia-yttria thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The TEM lattice imaging, selected area diffraction (SAD), and electron energy-loss spectroscopy (EELS) analyses demonstrated that the extensive nanoscale rare earth dopant segregation exists in the plasma-sprayed and electron-physical-vapor-deposited (EB PVD) thermal barrier coatings. The nanoscale concentration heterogeneity and the resulting large lattice distortion promoted the formation of parallel and rotational defective lattice clusters in the coating systems. The presence of the 5-to 100-nm-sized defect clusters and nanophases is believed to be responsible for the significant reduction of thermal conductivity, improved sintering resistance, and long-term high temperature stability of the advanced thermal barrier coating systems.

Measurement of the hot spot electron temperature in NIF ICF implosions using Krypton x-ray emission spectroscopy

NASA Astrophysics Data System (ADS)

Ma, T.; Chen, H.; Patel, P. K.; Schneider, M.; Barrios, M.; Berzak Hopkins, L.; Casey, D.; Chung, H.-K.; Hammel, B.; Jarrott, C.; Nora, R.; Pak, A.; Scott, H.; Spears, B.; Weber, C.

2015-11-01

The inference of ion temperature from neutron spectral measurements in indirect-drive ICF implosions is known to be sensitive to non-thermal velocity distributions in the fuel. The electron temperature (Te) inferred from dopant line ratios should not be sensitive to these bulk motions and hence may be a better measure of the thermal temperature of the hot spot. Here we describe a series of experiments to be conducted on the NIF where a small concentration of a mid-Z dopant (Krypton) is added to the fuel gas. The x-ray spectra is measured and the electron temperature is inferred from Kr line ratios. We also quantify the level of radiative cooling in the hot spot due to this mid-Z dopant. These experiments represent the first direct measurement of hot spot Te using spectroscopy, and we will describe the considerations for applying x-ray spectroscopy in such dense and non-uniform hot spots. This work performed under the auspices of U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Organic/inorganic-doped aromatic derivative crystals: Growth and properties

NASA Astrophysics Data System (ADS)

Stanculescu, F.; Ionita, I.; Stanculescu, A.

2014-09-01

Results of a comparative study on the growth from melt by the Bridgman-Stockbarger method of meta-dinitrobenzene (m-DNB) and benzil (Bz) crystals in the same experimental set-up and the same experimental conditions are presented. The incorporation of an inorganic (iodine) dopant in m-DNB was analyzed in the given experimental conditions from the point of view of the solid-liquid interface stability. The limits for a stable growth and the conditions that favor the generation of morphological instability are emphasized. These limits for m-DNB are compatible with those previously determined for Bz, and therefore, even for a high gradient concentration at the growth interface, it is possible to grow m-DNB and Bz crystals in the same experimental conditions characterized by a high ΔT and v. The optical properties were investigated in relation with the dopant incorporation in the crystal in the mentioned experimental conditions. Effects of the dopant (m-DNB/iodine in Bz and iodine in m-DNB) on the optical band gap and optical non-linear properties of the crystals are discussed.

Parallel computational and experimental studies of the morphological modification of calcium carbonate by cobalt

NASA Astrophysics Data System (ADS)

Braybrook, A. L.; Heywood, B. R.; Jackson, R. A.; Pitt, K.

2002-08-01

Crystal growth can be controlled by the incorporation of dopant ions into the lattice and yet the question of how such substituents affect the morphology has not been addressed. This paper describes the forms of calcite (CaCO 3) which arise when the growth assay is doped with cobalt. Distinct and specific morphological changes are observed; the calcite crystals adopt a morphology which is dominated by the {01.1} family of faces. These experimental studies paralleled the development of computational methods for the analysis of crystal habit as a function of dopant concentration. In this case, the predicted defect morphology also argued for the dominance of the (01.1) face in the growth form. The appearance of this face was related to the preferential segregation of the dopant ions to the crystal surface. This study confirms the evolution of a robust computational model for the analysis of calcite growth forms under a range of environmental conditions and presages the use of such tools for the predictive development of crystal morphologies in those applications where chemico-physical functionality is linked closely to a specific crystallographic form.

Method for manufacturing compound semiconductor field-effect transistors with improved DC and high frequency performance

DOEpatents

Zolper, John C.; Sherwin, Marc E.; Baca, Albert G.

2000-01-01

A method for making compound semiconductor devices including the use of a p-type dopant is disclosed wherein the dopant is co-implanted with an n-type donor species at the time the n-channel is formed and a single anneal at moderate temperature is then performed. Also disclosed are devices manufactured using the method. In the preferred embodiment n-MESFETs and other similar field effect transistor devices are manufactured using C ions co-implanted with Si atoms in GaAs to form an n-channel. C exhibits a unique characteristic in the context of the invention in that it exhibits a low activation efficiency (typically, 50% or less) as a p-type dopant, and consequently, it acts to sharpen the Si n-channel by compensating Si donors in the region of the Si-channel tail, but does not contribute substantially to the acceptor concentration in the buried p region. As a result, the invention provides for improved field effect semiconductor and related devices with enhancement of both DC and high-frequency performance.

Study on luminescence characteristics of blue OLED with phosphor-doped host-guest structure

NASA Astrophysics Data System (ADS)

Wang, Zhen; Liu, Fei; Zheng, Xin; Chen, Ai; Xie, Jia-feng; Zhang, Wen-xia

2018-05-01

In this study, we design and fabricate phosphor-doped host-guest structure organic light-emitting diodes (OLEDs), where the blue-ray iridium complex electrophosphorescent material FIrpic acts as object material. Properties of the device can be accommodated by changing the host materials, dopant concentration and thickness of the light-emitting layer. The study shows that the host material N,N'-dicarbazolyl-3,5-benzene (mCP) has a higher triplet excited state energy level, which can effectively prevent FIrpic triplet excited state energy backtracking to host material, thus the luminous efficiency is improved. When mCP is selected as the host material, the thickness of the light-emitting layer is 30 nm and the dopant concentration is 8 wt%, the excitons can be effectively confined in the light-emitting region. As a result, the maximum current efficiency and the maximum brightness of the blue device can reach 15.5 cd/A and 7 196.3 cd/m2, respectively.

Optical absorption and thermally stimulated depolarization current studies of nickel chloride-doped poly(vinyl alcohol) irradiated with low-level fast neutron doses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abd El-Kader, F.H.; Ibrahim, S.S.; Attia, G.

1993-11-15

The influence of neutron irradiation on ultraviolet/visible absorption and thermally stimulated depolarization current in nickel chloride-poly(vinyl alcohol) (PVA) cast films has been investigated. The spectral measurements indicate the responsibility of the Ni[sup 2][sup +] ion in its octahedral symmetry. Dopant concentrations higher than 10 wt % NiCl[sub 2] are found to make the samples more resistant to a degradation effect caused by neutron irradiation. The thermally stimulated depolarization currents (TSDC) of pure PVA revealed the existence of the glass transition T[sub g] and space charge relaxation peaks, whereas doped-PVA samples show a new sub-T[sub g] relaxation peak. A proposed mechanismmore » is introduced to account for the neutron effects on both glass transition and space charge relaxation peaks. The peak positions, peak currents, and stored charges of the sub-T[sub g] relaxation peak are strongly affected by both the concentration of the dopant and neutron exposure doses.« less

Excited-state absorption and fluorescence dynamics of Er3+:KY3F10

NASA Astrophysics Data System (ADS)

Labbé, C.; Doualan, J. L.; Moncorgé, R.; Braud, A.; Camy, P.

2018-05-01

We report here on a complete investigation of the excited-state absorption and fluorescence dynamics of Er3+ doped KY3F10 single crystals versus dopant concentrations and optical excitation conditions. Radiative and effective (including non-radiative relaxations) emission lifetimes and branching ratios are determined from a Judd-Ofelt analysis of the absorption spectra and via specific fluorescence experiments using wavelength selective laser excitations. Excited-state absorption and emission spectra are registered within seven spectral domains, i.e. 560 nm, 650 nm, 710 nm, 810 nm, 970 nm, 1550 nm and 2750 nm. A maximum gain cross-section of 0.93 × 10-21 cm2 is determined at the potential laser wavelength of 2.801 μm for a population ratio of 0.48. Saturation of fluorescence intensities and variations of population ratios versus pumping rates are registered and confronted with a rate equation model to derive the rates of the most important up-conversion and cross-relaxation energy transfers occurring at high dopant concentrations.

Electronic and transport properties of BCN alloy nanoribbons

NASA Astrophysics Data System (ADS)

Darvishi Gilan, Mahdi; Chegel, Raad

2018-03-01

The dependence of the carbon (C) concentration on the electronic and transport properties of boron carbonitride (BCN) alloy nanoribbons have been investigated using surface Green's functions technique and random Hamiltonian model by considering random hopping parameters including first and second nearest neighbors. Our calculations indicate that substituting boron (nitrogen) sites with carbon atoms induces a new band close to conduction (valence) band and carbon atoms behave like a donor (acceptor) dopants. Also, while both nitrogen and boron sites are substituted randomly by carbon atoms, new bands are induced close to both valence and conduction bands. The band gap decreases with C substituting and the number of charge carriers increases in low bias voltage. Far from Fermi level in the higher range of energy, transmission coefficient and current of the system are reduced by increasing the C concentration. Based on our results, tuning the electronic and transport properties of BCN alloy nanoribbons by random carbon dopants could be applicable to design nanoelectronics devices.

Electrical and structural properties of In-implanted Si 1–xGe x alloys

DOE PAGES

Feng, Ruixing; Kremer, F.; Sprouster, D. J.; ...

2016-01-14

Here, we report on the effects of dopant concentration and substrate stoichiometry on the electrical and structural properties of In-implanted Si 1–xGe x alloys. Correlating the fraction of electrically active In atoms from Hall Effect measurements with the In atomic environment determined by X-ray absorption spectroscopy, we observed the transition from electrically active, substitutional In at low In concentration to electrically inactive metallic In at high In concentration. The In solid-solubility limit has been quantified and was dependent on the Si 1–xGe x alloy stoichiometry; the solid-solubility limit increased as the Ge fraction increased. This result was consistent with densitymore » functional theory calculations of two In atoms in a Si 1–xGe x supercell that demonstrated that In–In pairing was energetically favorable for x ≲ 0.7 and energetically unfavorable for x ≳ 0.7. Transmission electron microscopy imaging further complemented the results described earlier with the In concentration and Si 1–xGe x alloy stoichiometry dependencies readily visible. We have demonstrated that low resistivity values can be achieved with In implantation in Si 1–xGe x alloys, and this combination of dopant and substrate represents an effective doping protocol.« less

Effect of zinc impurity on silicon solar-cell efficiency

NASA Technical Reports Server (NTRS)

Sah, C.-T.; Chan, P. C. H.; Wang, C.-K.; Yamakawa, K. A.; Lutwack, R.; Sah, R. L.-Y.

1981-01-01

Zinc is a major residue impurity in the preparation of solar-grade silicon material by the zinc vapor reduction of silicon tetrachloride. This paper projects that in order to get a 17-percent AM1 cell efficiency for the Block IV module of the Low-Cost Solar Array Project, the concentration of the zinc recombination centers in the base region of silicon solar cells must be less than 4 x 10 to the 11th Zn/cu cm in the p-base n+/p/p+ cell and 7 x 10 to the 11th Zn/cu cm in the n-base p+/n/n+ cell for a base dopant impurity concentration of 5 x 10 to the 14 atoms/cu cm. If the base dopant impurity concentration is increased by a factor of 10 to 5 x 10 to the 15th atoms/cu cm, then the maximum allowable zinc concentration is increased by a factor of about two for a 17-percent AM1 efficiency. The thermal equilibrium electron and hole recombination and generation rates at the double-acceptor zinc centers are obtained from previous high-field measurements as well as new measurements at zero field described in this paper. These rates are used in the exact dc-circuit model to compute the projections.

Method of fabricating a back-contact solar cell and device thereof

DOEpatents

Li, Bo; Smith, David; Cousins, Peter

2014-07-29

Methods of fabricating back-contact solar cells and devices thereof are described. A method of fabricating a back-contact solar cell includes forming an N-type dopant source layer and a P-type dopant source layer above a material layer disposed above a substrate. The N-type dopant source layer is spaced apart from the P-type dopant source layer. The N-type dopant source layer and the P-type dopant source layer are heated. Subsequently, a trench is formed in the material layer, between the N-type and P-type dopant source layers.

Method of fabricating a back-contact solar cell and device thereof

DOEpatents

Li, Bo; Smith, David; Cousins, Peter

2016-08-02

Methods of fabricating back-contact solar cells and devices thereof are described. A method of fabricating a back-contact solar cell includes forming an N-type dopant source layer and a P-type dopant source layer above a material layer disposed above a substrate. The N-type dopant source layer is spaced apart from the P-type dopant source layer. The N-type dopant source layer and the P-type dopant source layer are heated. Subsequently, a trench is formed in the material layer, between the N-type and P-type dopant source layers.

Dopant atoms as quantum components in silicon nanoscale devices

NASA Astrophysics Data System (ADS)

Zhao, Xiaosong; Han, Weihua; Wang, Hao; Ma, Liuhong; Li, Xiaoming; Zhang, Wang; Yan, Wei; Yang, Fuhua

2018-06-01

Recent progress in nanoscale fabrication allows many fundamental studies of the few dopant atoms in various semiconductor nanostructures. Since the size of nanoscale devices has touched the limit of the nature, a single dopant atom may dominate the performance of the device. Besides, the quantum computing considered as a future choice beyond Moore's law also utilizes dopant atoms as functional units. Therefore, the dopant atoms will play a significant role in the future novel nanoscale devices. This review focuses on the study of few dopant atoms as quantum components in silicon nanoscale device. The control of the number of dopant atoms and unique quantum transport characteristics induced by dopant atoms are presented. It can be predicted that the development of nanoelectronics based on dopant atoms will pave the way for new possibilities in quantum electronics. Project supported by National Key R&D Program of China (No. 2016YFA0200503).

Aerosol Route Synthesis and Applications of Doped Nanostructured Materials

NASA Astrophysics Data System (ADS)

Sahu, Manoranjan

Nanotechnology presents an attractive opportunity to address various challenges in air and water purification, energy, and other environment issues. Thus, the development of new nanoscale materials in low-cost scalable synthesis processes is important. Furthermore, the ability to independently manipulate the material properties as well as characterize the material at different steps along the synthesis route will aide in product optimization. In addition, to ensure safe and sustainable development of nanotechnology applications, potential impacts need to be evaluated. In this study, nanomaterial synthesis in a single-step gas phase reactor to continuously produce doped metal oxides was demonstrated. Copper-doped TiO2 nanomaterial properties (composition, size, and crystal phase) were independently controlled based on nanoparticle formation and growth mechanisms dictated by process control parameters. Copper dopant found to significantly affect TiO2 properties such as particle size, crystal phase, stability in the suspension, and absorption spectrum (shift from UV to visible light absorption). The in-situ charge distribution characterization of the synthesized nanomaterials was carried out by integrating a tandem differential mobility analyzer (TDMA) set up with the flame reactor synthesis system. Both singly- and doubly- charged nanoparticles were measured, with the charged fractions dependent on particle mobility and dopant concentration. A theoretical calculation was conducted to evaluate the relative importance of the two charging mechanisms, diffusion and thermo-ionization, in the flame. Nanoparticle exposure characterization was conducted during synthesis as a function of operating condition, product recovery and handling technique, and during maintenance of the reactors. Strategies were then indentified to minimize the exposure risk. The nanoparticle exposure potential varied depending on the operating conditions such as precursor feed rate, working conditions of the fume hood, ventilation system, and distance from the reactors. Nanoparticle exposure varied during product recovery and handling depending on the quantity of nanomaterial handled. Most nanomaterial applications require nanomaterials to be in solution. Thus, the role of nanomaterial physio-chemical properties (size, crystal phase, dopant types and concentrations) on dispersion properties was investigated based on hydrodynamic size and surface charge. Dopant type and concentration were found to significantly affect iso-electric point (IEP)-shifting the IEP to a high or lower pH value compared to pristine TiO2 based on the oxidation state of the dopant. The microbial inactivation effectiveness of as-synthesized nanomaterials was investigated under different light irradiation conditions. Microbial inactivation was found to strongly depend on the light irradiation condition as well as on material properties such chemical composition, crystal phase, and particle size. The potential interaction mechanisms of copper-doped TiO2 nanomaterial with microbes were also explored. The studies conducted as part of this dissertation addressed issues in nanomaterial synthesis, characterization and their potential environmental applications.

The structure and magnetic properties of β-(Ga0.96Mn0.04)2O3 thin film

NASA Astrophysics Data System (ADS)

Huang, Yuanqi; Chen, Zhengwei; Zhang, Xiao; Wang, Xiaolong; Zhi, Yusong; Wu, Zhenping; Tang, Weihua

2018-05-01

High quality epitaxial single phase (Ga0.96Mn0.04)2O3 and Ga2O3 thin films have been prepared on sapphire substrates by using laser molecular beam epitaxy (L-MBE). X-ray diffraction results indicate that the thin films have the monoclinic structure with a ≤ft( {\\bar 201} \\right) preferable orientation. Room temperature (RT) ferromagnetism appears and the magnetic properties of β-(Ga0.96Mn0.04)2O3 thin film are enhanced compared with our previous works. Experiments as well as the first principle method are used to explain the role of Mn dopant on the structure and magnetic properties of the thin films. The ferromagnetic properties are explained based on the concentration of transition element and the defects in the thin films. Project supported by the National Natural Science Foundation of China (Nos. 11404029, 51572033, 51172208) and the Fund of State Key Laboratory of Information Photonics and Optical Communications (BUPT).

Enhanced Thermoelectric Properties of Polycrystalline SnSe via LaCl₃ Doping.

PubMed

Li, Fu; Wang, Wenting; Ge, Zhen-Hua; Zheng, Zhuanghao; Luo, Jingting; Fan, Ping; Li, Bo

2018-01-28

LaCl₃ doped polycrystalline SnSe was synthesized by combining mechanical alloying (MA) process with spark plasma sintering (SPS). It is found that the electrical conductivity is enhanced after doping due to the increased carrier concentration and carrier mobility, resulting in optimization of the power factor at 750 K combing with a large Seebeck coefficient over 300 Μvk -1 . Meanwhile, all the samples exhibit lower thermal conductivity below 1.0 W/mK in the whole measured temperature. The lattice thermal conductivity for the doped samples was reduced, which effectively suppressed the increscent of the total thermal conductivity because of the improved electrical conductivity. As a result, a ZT value of 0.55 has been achieved for the composition of SnSe-1.0 wt % LaCl₃ at 750 K, which is nearly four times higher than the undoped one and reveals that rare earth element is an effective dopant for optimization of the thermoelectric properties of SnSe.

Efficient single-mode (TEM{sub 00}) Nd : YVO{sub 4} laser with longitudinal 808-nm diode pumping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Donin, V I; Yakovin, D V; Yakovin, M D

2013-10-31

A single-mode Nd : YVO{sub 4} laser with unidirectional longitudinal pumping by laser diodes with λ = 808 nm and a power of 40 W is studied. In the TEM{sub 00} mode, the output laser power is 24 W with the optical efficiency η{sub opt} = 57.1 % (slope efficiency 63.3 %), which, as far as we know, is the best result for Nd{sup 3+} : YVO{sub 4} lasers with longitudinal pumping at λ = 808 nm from one face of the active crystal. Estimates of thermal effects show that, using a Nd : YVO{sub 4} crystal (length 20 mm,more » diameter 3 mm, dopant concentration 0.27 at%) with two undoped ends and bidirectional diode pumping with a total power of 170 W, one can obtain an output power of ∼100 W in the TEM{sub 00} mode from one active element. (lasers)« less

The influence of Nd dopants on spin and orbital moments in Nd-doped permalloy thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luo, Chen, E-mail: ronanluochen@gmail.com; Zhang, Wen, E-mail: xiaotur@gmail.com, E-mail: yazhai@seu.edu.cn; Zhai, Ya, E-mail: xiaotur@gmail.com, E-mail: yazhai@seu.edu.cn

2014-08-25

Magnetic properties of Nd{sub X}-Ni{sub 80}Fe{sub 20(1−X)} thin films have been investigated using x-ray absorption spectroscopy and x-ray magnetic circular dichroism (XMCD) at room temperature. With the Nd concentration increasing, the ratio of orbital-to-spin moment of Ni and Fe increases significantly, indicating that the spin-orbit coupling in permalloy thin films is enhanced due to the Nd impurities. The spin and orbital moments have been obtained by the sum rules analysis, which shows that the Nd impurities lead to a strong dispersion of spin moments of Fe and Ni while have no effect on orbital moments in Nd-doped permalloy thin films.more » Element-specific XMCD hysteresis loops suggest an antiferromagnetic coupling between the magnetic moments of Nd and permalloy at room temperature. The static magnetic properties have been studied by vibrating sample magnetometer for comparison, which shows a nice agreement with the XMCD results.« less

Efficient near-infrared emission of π-extended cyclometalated iridium complexes based on pyrene in solution-processed polymer light-emitting diode

NASA Astrophysics Data System (ADS)

Liu, Yu; Hao, Zhaoran; Meng, Fanyuan; Wang, Pu; Yang, Liang; Wang, Yafei; Pei, Yong; Su, Shijian

2018-05-01

A novel iridium complex grafting hole-transporting triphenylamine (TPA) unit onto cyclometalated ligand, namely t-BuPyrPyTPA)2Ir(acac), was successfully synthesized and characterized. The photophysical, electrochemical and DFT/TD-DFT calculation, as well as electroluminescence properties of this iridium complex were fully investigated. Meanwhile, the PLEDs employing (t-BuPyrPyTPA)2Ir(acac) as dopant presented stable NIR emission peaked at 697 nm and a shoulder at 764 nm with a highest external quantum efficiency (EQE) of 0.56% at 4 wt% dopant concentration. These results demonstrate that expanding the conjugation length of the ligand is an effective way to achieve NIR emission.

Sub-nanometer surface chemistry and orbital hybridization in lanthanum-doped ceria nano-catalysts revealed by 3D electron microscopy.

PubMed

Collins, Sean M; Fernandez-Garcia, Susana; Calvino, José J; Midgley, Paul A

2017-07-14

Surface chemical composition, electronic structure, and bonding characteristics determine catalytic activity but are not resolved for individual catalyst particles by conventional spectroscopy. In particular, the nano-scale three-dimensional distribution of aliovalent lanthanide dopants in ceria catalysts and their effect on the surface electronic structure remains unclear. Here, we reveal the surface segregation of dopant cations and oxygen vacancies and observe bonding changes in lanthanum-doped ceria catalyst particle aggregates with sub-nanometer precision using a new model-based spectroscopic tomography approach. These findings refine our understanding of the spatially varying electronic structure and bonding in ceria-based nanoparticle aggregates with aliovalent cation concentrations and identify new strategies for advancing high efficiency doped ceria nano-catalysts.

Origin and Quenching of Novel ultraviolet and blue emission in NdGaO3: Concept of Super-Hydrogenic Dopants.

PubMed

Ghosh, Siddhartha; Saha, Surajit; Liu, Zhiqi; Motapothula, M; Patra, Abhijeet; Yakovlev, Nikolai; Cai, Yao; Prakash, Saurav; Huang, Xiao Hu; Tay, Chuan Beng; Cong, Chun Xiao; Bhatt, Thirumaleshwara; Dolmanan, Surani B; Chen, Jianqiang; Lü, Weiming; Huang, Zhen; Tripathy, Sudhiranjan; Chua, Soo Jin; Yu, Ting; Asta, Mark; Ariando, A; Venkatesan, T

2016-11-03

In this study we report the existence of novel ultraviolet (UV) and blue emission in rare-earth based perovskite NdGaO 3 (NGO) and the systematic quench of the NGO photoluminescence (PL) by Ce doping. Study of room temperature PL was performed in both single-crystal and polycrystalline NGO (substrates and pellets) respectively. Several NGO pellets were prepared with varying Ce concentration and their room temperature PL was studied using 325 nm laser. It was found that the PL intensity shows a systematic quench with increasing Ce concentration. XPS measurements indicated that nearly 50% of Ce atoms are in the 4+ state. The PL quench was attributed to the novel concept of super hydrogenic dopant (SHD)", where each Ce 4+ ion contributes an electron which forms a super hydrogenic atom with an enhanced Bohr radius, due to the large dielectric constant of the host. Based on the critical Ce concentration for complete quenching this SHD radius was estimated to be within a range of 0.85 nm and 1.15 nm whereas the predicted theoretical value of SHD radius for NdGaO3 is ~1.01 nm.

Effect of metallic silver nanoparticles on the alignment and relaxation behaviour of liquid crystalline material in smectic C* phase

NASA Astrophysics Data System (ADS)

Vimal, Tripti; Kumar Gupta, Swadesh; Katiyar, Rohit; Srivastava, Atul; Czerwinski, Michal; Krup, Katarzyna; Kumar, Sandeep; Manohar, Rajiv

2017-09-01

The influence of silver nanoparticles dispersed in a Ferroelectric Liquid Crystal (FLC) on the properties of the resultant composite system has been investigated by thermal, electro-optical, and dielectric methods. We show that the concentration of thiol capped silver nanoparticles is a critical factor in governing the alignment of nanoparticles (NPs) in the host FLC. The orientation of NPs in composite samples affects the ordering of the LC (Liquid Crystal) phase and consequently changes the various phase transition temperatures of the host LC. Formation of self-assembled 2D (two dimensional) arrays of nanoparticles is observed for high concentration of dopant in the LC, oriented perpendicular to the direction of rubbing. We propose that the molecular interaction between the thiol capped NPs and LC molecules is the key factor behind such an arrangement of NPs. Orientation of NPs has affected the relaxation behaviour and various other material parameters, significantly. A noteworthy change in DC conductivity articulates our proposed idea of the formation of 2D array of NPs perpendicular to the direction of rubbing. This comprehensive study endorses the importance of dopant concentration in modifying the properties of the host LC material.

The structural properties of Sn-doped zinc oxide synthesized by hot-tube thermal evaporation

NASA Astrophysics Data System (ADS)

Suhaimi, Syahida; Sakrani, Samsudi; Yatim, Nadhrah Md.; Hashim, Mohd Azman

2018-06-01

The growth of Sn:ZnO nanowires on a silicon substrate using a low thermal evaporation method is reported. A horizontal quartz tube with controlled supply of O2 gas were used to fabricate the samples where Zn and Sn metal powders were previously mixed and heated at 500°C. This allows the reactant vapours to deposit onto the substrate, which placed at a certain distance from the source materials. The samples were characterized using FESEM, EDX and HRTEM measurements. Randomly oriented nanowires were formed with varying dopant concentrations from 3 to 15 at%. It was observed that from FESEM images, when the dopant concentrations were increased, a hexagonal rod with a wire extended at its end was clearly formed and the best images of nanowires were shown at the highest concentration of 15 at% measuring between 26 to 35 nm and roughly 500 nm in diameter and length respectively. The doping process played an important role in order to alter the morphological properties of Sn:ZnO nanowires. Sn:ZnO nanowires have large potential in many applications such as in selected sensor technology including gaseous sensors, liquid sensors and others.

A clear effect of charge compensation through Na{sup +} co-doping on the luminescence spectra and decay kinetics of Nd{sup 3+}-doped CaAl{sub 4}O{sub 7}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Puchalska, M., E-mail: malgorzata.puchalska@chem.uni.wroc.pl; Watras, A.

2016-06-15

We present a detailed analysis of luminescence behavior of singly Nd{sup 3+} doped and Nd{sup 3+}, Na{sup +} co-doped calcium aluminates powders: Ca{sub 1−x}Nd{sub x}Al{sub 4}O{sub 7} and Ca{sub 1−2x}Nd{sub x}Na{sub x}Al{sub 4}O{sub 7} (x=0.001–0.1). Relatively intense Nd{sup 3+} luminescence in IR region corresponding to typical {sup 4}F{sub 3/2}→{sup 4}I{sub J} (J=9/2–13/2) transitions with maximum located at about 1079 nm was obtained in all samples on direct excitation into f–f levels. The effect of dopant concentration and charge compensation by co-doping with Na{sup +} ions on morphology and optical properties were studied. The results show that both, the Nd{sup 3+}more » concentration and the alkali metal co-doping affected the optical properties but had no influence on the powders morphology. The studies of luminescence spectra (298 and 77 K) in a function of dopant concentration showed an increasing distortion of the local symmetry of Nd{sup 3+}with raising activator content due to certain defects created in the crystal lattice. On the other hand Na{sup +} addition led to significant narrowing of absorption and luminescence bands and also a reduction of the number of their components, showing smaller disturbance of Nd{sup 3+} ions local symmetries. Consequently, charge compensated by Na{sup +} co-doping materials showed significantly enhanced Nd{sup 3+} luminescence. The decrease of emission intensity and luminescence lifetimes with increase of activator concentration was attributed mainly to phonon-assisted cross-relaxation processes between Nd{sup 3+} ions. Analysis with Inokuti–Hirayama model indicated dipole–dipole mechanism of ion-ion interaction. Na{sup +} addition led to much smaller concentration quenching due to smaller clustering of dopant ions in CaAl{sub 4}O{sub 7} lattice.« less

Sustainable synthesis of metals-doped ZnO nanoparticles from zinc-bearing dust for photodegradation of phenol.

PubMed

Wu, Zhao-Jin; Huang, Wei; Cui, Ke-Ke; Gao, Zhi-Fang; Wang, Ping

2014-08-15

A novel strategy of waste-cleaning-waste is proposed in the present work. A metals-doped ZnO (M-ZnO, M = Fe, Mg, Ca and Al) nanomaterial has been prepared from a metallurgical zinc-containing solid waste "fabric filter dust" by combining sulfolysis and co-precipitation processes, and is found to be a favorable photocatalyst for photodegradation of organic substances in wastewater under visible light irradiation. All the zinc and dopants (Fe, Mg, Ca and Al) for preparing M-ZnO are recovered from the fabric filter dust, without any addition of chemical as elemental source. The dust-derived M-ZnO samples deliver single phase indexed as the hexagonal ZnO crystal, with controllable dopants species. The photocatalytic activity of the dust-derived M-ZnO samples is characterized by photodegradation of phenol aqueous solution under visible light irradiation, giving more prominent photocatalytic behaviors than undoped ZnO. Such enhancements may be attributed to incorporation of the dust-derived metal elements (Fe, Mg, Ca and Al) into ZnO structure, which lead to the modification of band gap and refinement of grain size. The results show a feasibility to utilize the industrial waste as a resource of photodegradating organic substances in wastewater treatments. Copyright © 2014 Elsevier B.V. All rights reserved.

Spectroscopic diagnostics of NIF ICF implosions using line ratios of Kr dopant in the ignition capsule

NASA Astrophysics Data System (ADS)

Dasgupta, Arati; Ouart, Nicholas; Giuiani, John; Clark, Robert; Schneider, Marilyn; Scott, Howard; Chen, Hui; Ma, Tammy

2017-10-01

X ray spectroscopy is used on the NIF to diagnose the plasma conditions in the ignition target in indirect drive ICF implosions. A platform is being developed at NIF where small traces of krypton are used as a dopant to the fuel gas for spectroscopic diagnostics using krypton line emissions. The fraction of krypton dopant was varied in the experiments and was selected so as not to perturb the implosion. Our goal is to use X-ray spectroscopy of dopant line ratios produced by the hot core that can provide a precise measurement of electron temperature. Simulations of the krypton spectra using a 1 in 104 atomic fraction of krypton in direct-drive exploding pusher with a range of electron temperatures and densities show discrepancies when different atomic models are used. We use our non-LTE atomic model with a detailed fine-structure level atomic structure and collisional-radiative rates to investigate the krypton spectra at the same conditions. Synthetic spectra are generated with a detailed multi-frequency radiation transport scheme from the emission regions of interest to analyze the experimental data with 0.02% Kr concentration and compare and contrast with the existing simulations at LLNL. Work supported by DOE/NNSA; Part of this work was also done under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract No. DE-AC52-07NA27344.

The novel dopant for hole-transporting material opens a new processing route to efficiently reduce hysteresis and improve stability of planar perovskite solar cells

NASA Astrophysics Data System (ADS)

Luo, Junsheng; Jia, Chunyang; Wan, Zhongquan; Han, Fei; Zhao, Bowen; Wang, Ruilin

2017-02-01

Perovskite solar cells (PSCs) emerging as the most promising next-generation photovoltaic devices have been received great attention. In the PSC device, admittedly, Spiro-OMeTAD is the most widely used hole-transporting material (HTM). However, the pristine Spiro-OMeTAD suffers from low hole mobility and conductivity, which requires chemical dopants (Li-TFSI and tBP) to increase conductivity thereby improving power conversion efficiency (PCE). Discouragingly, hygroscopic Li-TFSI can gravely degrade the perovskite film and diminish the stability of PSC. Meanwhile, tBP also gives rise to the degradation of perovskite film by forming a [PbI2·tBP] coordinated complex or iodopyridinate complex. In this study, F4-TCNQ is introduced into Spiro-OMeTAD as an alternative dopant to replace the commonly used Li-TFSI and tBP. By optimizing the doping concentration of F4-TCNQ, the PSC based on 1.5 mol% F4-TCNQ doped Spiro-OMeTAD exhibits the best PCE as high as 12.93%, which is comparable to that of 14.32% for reference device with Li-TFSI and tBP doped Spiro-OMeTAD. Moreover, the PSC based on F4-TCNQ doped Spiro-OMeTAD shows lower hysteresis and better stability. This work not only offers a promising dopant for Spiro-OMeTAD, but also provides a viable approach to address the challenges of hysteresis and instability.

EDITORIAL: Focus on Dilute Magnetic Semiconductors FOCUS ON DILUTE MAGNETIC SEMICONDUCTORS

NASA Astrophysics Data System (ADS)

Chambers, Scott A.; Gallagher, Bryan

2008-05-01

This focus issue of New Journal of Physics is devoted to the materials science of dilute magnetic semiconductors (DMS). A DMS is traditionally defined as a diamagnetic semiconductor doped with a few to several atomic per cent of some transition metal with unpaired d electrons. Several kinds of dopant-dopant interactions can in principle couple the dopant spins leading to a ferromagnetic ground state in a dilute magnetic system. These include superexchange, which occurs principally in oxides and only between dopants with one intervening oxygen, and double exchange, in which dopants of different formal charges exchange an electron. In both of these mechanisms, the ferromagnetic alignment is not critically dependent on free carriers in the host semiconductor because exchange occurs via bonds. A third mechanism, discovered in the last few years, involves electrons associated with lattice defects that can apparently couple dopant spins. This mechanism is not well understood. Finally, the most desirable mechanism is carrier-mediated exchange interaction in which the dopant spins are coupled by itinerant electrons or holes in the host semiconductor. This mechanism introduces a fundamental link between magnetic and electrical transport properties and offers the possibility of new spintronic functionalities. In particular electrical gate control of ferromagnetism and the use of spin polarized currents to carry signals for analog and digital applications. The spin light emitting diode is a prototypical device of this kind that has been extensively used to characterize the extent of spin polarization in the active light emitting semiconductor heterostructure. The prototypical carrier mediated ferromagnetic DMS is Mn-doped GaAs. This and closely related narrow gap III-V materials have been very extensively studied. Their properties are generally quite well understood and they have led to important insights into fundamental properties of ferromagnetic systems with strong spin-orbit coupling. They have also led to the demonstration of a wide range of novel phenomena including some, like tunneling anisotropic magnetoresistance, which have subsequently been achieved in metal ferromagnetic systems. However despite considerable effort over many years the maximum Curie point achieved in (Ga,Mn)As is still less than 200 K. So unless some major new breakthrough is achieved these materials are unlikely to be of use for practical spin electronics technologies. In 2000, Dietl et al [1] published a seminal paper in which mean field theory was used to predict which of the common diamagnetic semiconductors would exhibit a Curie point above ambient if doped with 5 at.% Mn and a hole concentration of 3.5 × 1020 cm-3. Of the many host semiconductors simulated, only ZnO and GaN were predicted to exhibit a critical temperature in excess of 300 K. Since 2000, high-Tc DMS research has proliferated in both experimental and theoretical arenas. Many papers have been published containing claims of new DMS materials based largely on limited film growth, powder diffraction, and magnetometry. In these papers, a film which exhibits a hysteretic SQUID or VSM loop at 300 K and phase purity with only the host semiconductor detected by XRD are often claimed to be true ferromagnetic DMSs. Many of these papers are flawed because the criteria for a well-defined DMS are much more extensive. These include: (i) a random dopant distribution, (ii) a well-known and preferably unique charge state and preferentially a unique local structural environment for the dopant, (iii) a demonstrated coupling of the dopant spin to the host band structure, leading to spin polarization of the majority carriers, and (iv) a rational dependence of the saturation magnetization and Curie point on the magnetic dopant and carrier concentrations. Implicit in this list is that trivial causes of ferromagnetism, such as magnetic contamination and magnetic secondary phase formation, are eliminated. Yet, in many papers, the authors have not carried out the necessary control experiments and materials characterization to convincingly eliminate these possibilities. The former includes the growth of films without the magnetic dopant and the associated demonstration of the absence of ferromagnetism. Magnetic secondary phase formation is particularly problematic because in order to inject enough magnetic dopant to generate appreciable magnetization and spin polarization, one must often exceed the solid solubility of the dopant in the host. If the dopant is itself ferromagnetic in its elemental state, or if unintended magnetic products nucleate, spurious ferromagnetism will occur. Moreover, it is often a major analysis challenge to detect secondary phases when they consist of only a few per cent of the dopant; element specific spectroscopies such as x-ray absorption have been invaluable in this task. Powder diffraction is not sufficiently sensitive for this level of analysis. Against this backdrop, this focus issue of New Journal of Physics now appears. The editors' principal goal in soliciting papers has been to encourage investigators to submit work in which the necessary experiments have been done to allow the material to be adequately characterized. This collection contains a mix of experimental and theoretical papers, and many different types of materials are covered. This focus issue thus constitutes a snapshot in time of a fast-moving and fascinating field of materials physics. Reference [1] Dietl T, Ohno H, Matsukura F, Cibert J and Ferrand D 2000 Science 287 1019 Focus on Dilute Magnetic Semiconductors Contents Lithographically and electrically controlled strain effects on anisotropic magnetoresistance in (Ga,Mn)As E De Ranieri, A W Rushforth, K Výborný, U Rana, E Ahmad, R P Campion, C T Foxon, B L Gallagher, A C Irvine, J Wunderlich and T Jungwirth Structure and magnetism of cobalt-doped ZnO thin films M Ivill, S J Pearton, S Rawal, L Leu, P Sadik, R Das, A F Hebard, M Chisholm, J D Budai and D P Norton Role of charge carriers for ferromagnetism in cobalt-doped rutile TiO2 T Fukumura, H Toyosaki, K Ueno, M Nakano and M Kawasaki Ab-initio study of exchange constants and electronic structure in diluted magnetic group-IV semiconductors Silvia Picozzi and Marjana Ležaić Phase coherent transport in (Ga,Mn)As D Neumaier, K Wagner, U Wurstbauer, M Reinwald, W Wegscheider and D Weiss Hydrogen interstitials-mediated ferromagnetism in MnxGe1-x magnetic semiconductors Xin-Xin Yao, Shi-Shen Yan, Shu-Jun Hu, Xue-Ling Lin, Chong Han, Yan-Xue Chen, Guo-Lei Liu and Liang-Mo Mei Electronic structures of magnetic semiconductors FeCr2Se4 and Fe0.5Cu0.5Cr2Se4 B I Min, Seung Su Baik, H C Choi, S K Kwon and J-S Kang Investigation of pure and Co2+-doped ZnO quantum dot electronic structures using the density functional theory: choosing the right functional Ekaterina Badaeva, Yong Feng, Daniel R Gamelin and Xiaosong Li Magnetic properties of sol-gel-derived doped ZnO as a potential ferromagnetic semiconductor: a synchrotron-based study N R S Farley, K W Edmonds, A A Freeman, G van der Laan, C R Staddon, D H Gregory and B L Gallagher Local electronic structure of Cr in the II-VI diluted ferromagnetic semiconductor Zn1-xCrxTe M Kobayashi, Y Ishida, J I Hwang, G S Song, A Fujimori, C S Yang, L Lee, H-J Lin, D J Huang, C T Chen, Y Takeda, K Terai, S-I Fujimori, T Okane, Y Saitoh, H Yamagami, K Kobayashi, A Tanaka, H Saito and K Ando Lack of ferromagnetism in n-type cobalt-doped ZnO epitaxial thin films T C Kaspar, T Droubay, S M Heald, P Nachimuthu, C M Wang, V Shutthanandan, C A Johnson, D R Gamelin and S A Chambers XMCD studies on Co and Li doped ZnO magnetic semiconductors Thomas Tietze, Milan Gacic, Gisela Schütz, Gerhard Jakob, Sebastian Brück and Eberhard Goering Ferromagnetic semiconductors and the role of disorder B W Wessels An extensive comparison of anisotropies in MBE grown (Ga,Mn)As material C Gould, S Mark, K Pappert, R G Dengel, J Wenisch, R P Campion, A W Rushforth, D Chiba, Z Li, X Liu, W Van Roy, H Ohno, J K Furdyna, B Gallagher, K Brunner, G Schmidt and L W Molenkamp Local structural, magnetic and magneto-optical properties of Mn-doped SiC films prepared on a 3C-SiC(001) wafer Wenhong Wang, Fumiyoshi Takano, Hironori Ofuchi and Hiro Akinaga Effects of proton irradiation on the magnetic properties of GaGdN and GaCrN J K Hite, K K Allums, G T Thaler, C R Abernathy, S J Pearton, R M Frazier, R Dwivedi, R Wilkins and J M Zavada

Metal modulation epitaxy growth for extremely high hole concentrations above 1019 cm-3 in GaN

NASA Astrophysics Data System (ADS)

Namkoong, Gon; Trybus, Elaissa; Lee, Kyung Keun; Moseley, Michael; Doolittle, W. Alan; Look, David C.

2008-10-01

The free hole carriers in GaN have been limited to concentrations in the low 1018cm-3 range due to the deep activation energy, lower solubility, and compensation from defects, therefore, limiting doping efficiency to about 1%. Herein, we report an enhanced doping efficiency up to ˜10% in GaN by a periodic doping, metal modulation epitaxy growth technique. The hole concentrations grown by periodically modulating Ga atoms and Mg dopants were over ˜1.5×1019cm-3.

Structural and dielectric properties of Zn1-xAlxO nanoparticles

NASA Astrophysics Data System (ADS)

Giri, N.; Mondal, A.; Sarkar, S.; Ray, R.

2018-05-01

Aluminium doped ZnO (AZO) nano-crystalline sample has been synthesized using chemical precipitation method with different doping concentrations. Detailed structural and morphological investigations of Zn1-xAlxO have been carried out using X-ray diffraction (XRD) and FE-SEM, respectively. Dependence of grain size of AZO with dopant concentration has been studied. Ac conductivity, dielectric constant and dielectric loss of Zn1-xAlxO (0 ≤ x ≤ 0.1) are investigated as a function of frequency (ω) and doping concentration (x) at room temperature.

Cobalt dopant with deep redox potential for organometal halide hybrid solar cells.

PubMed

Koh, Teck Ming; Dharani, Sabba; Li, Hairong; Prabhakar, Rajiv Ramanujam; Mathews, Nripan; Grimsdale, Andrew C; Mhaisalkar, Subodh G

2014-07-01

In this work, we report a new cobalt(III) complex, tris[2-(1H-pyrazol-1-yl)pyrimidine]cobalt(III) tris[bis(trifluoromethylsulfonyl)imide] (MY11), with deep redox potential (1.27 V vs NHE) as dopant for 2,2',7,7'-tetrakis-(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorene (spiro-OMeTAD). This dopant possesses, to the best of our knowledge, the deepest redox potential among all cobalt-based dopants used in solar cell applications, allowing it to dope a wide range of hole-conductors. We demonstrate the tuning of redox potential of the Co dopant by incorporating pyrimidine moiety in the ligand. We characterize the optical and electrochemical properties of the newly synthesized dopant and show impressive spiro-to-spiro(+) conversion. Lastly, we fabricate high efficiency perovskite-based solar cells using MY11 as dopant for molecular hole-conductor, spiro-OMeTAD, to reveal the impact of this dopant in photovoltaic performance. An overall power conversion efficiency of 12% is achieved using MY11 as p-type dopant to spiro-OMeTAD. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Probing influence of rare earth ions (Er3+, Dy3+ and Gd3+) on structural, magnetic and optical properties of magnetite nanoparticles

NASA Astrophysics Data System (ADS)

Jain, Richa; Luthra, Vandna; Gokhale, Shubha

2018-06-01

Fe3-xRExO4 (RE = Er, Dy and Gd) nanoparticles with x varying from 0 to 0.1 were synthesized using co-precipitation method. The synthesized nanoparticles were characterized using X-ray diffraction (XRD), transmission electron microscopy (TEM), vibrating sample magnetometer (VSM) and UV-Vis spectroscopy techniques. TEM images reveal round shaped particles of ∼8-14 nm diameter in case of undoped magnetite (Fe3O4) nanoparticles whereas there is evolution of rod like structures by the doping of RE ions with aspect ratio in the range of 6-16. The room temperature saturation magnetization (Ms) values show gradual increase with doping till a critical doping level which is found to depend on the ionic radius of dopant ion (x = 0.01 for Er, 0.03 for Dy and 0.04 for Gd). There is a variation in the maximum value of saturation magnetization which is directly proportional to the number of unpaired 4f electrons in the dopant element. Low temperature magnetization study, carried out at 5 K and 120 K reveal an increase in the value of Ms as well as coercivity. The direct bandgaps calculated from UV-Visible data are found to decrease with increasing number of unpaired electrons in the dopant ions.

A comprehensive evaluation of factors that influence the spin polarization of electrons emitted from bulk GaAs photocathodes

DOE PAGES

Liu, Wei; Poelker, Matt; Peng, Xincun; ...

2017-07-19

Here, the degree of polarization of photoemitted electrons extracted from bulk unstrained GaAs photocathodes is usually considerably less than the theoretical maximum value of 50%, as a result of depolarization mechanisms that originate within the photocathode material and at the vacuum surface interface. This paper provides a comprehensive review of depolarization mechanisms and presents a systematic experimental evaluation of polarization sensitivities to temperature, dopant density, quantum efficiency, and crystal orientation. The highest measured polarization was similar to 50%, consistent with the maximum theoretical value, obtained from a photocathode sample with relatively low dopant concentration and cooled to 77 K. Inmore » general, measurements indicate electron spin polarization can be enhanced at the expense of photoelectron yield (or quantum efficiency).« less

Doping-induced spin-orbit splitting in Bi-doped ZnO nanowires

NASA Astrophysics Data System (ADS)

Aras, Mehmet; Güler-Kılıç, Sümeyra; Kılıç, ćetin

2017-04-01

Our predictions, based on density-functional calculations, reveal that surface doping of ZnO nanowires with Bi leads to a linear-in-k splitting of the conduction-band states, through spin-orbit interaction, due to the lowering of the symmetry in the presence of the dopant. This finding implies that spin polarization of the conduction electrons in Bi-doped ZnO nanowires could be controlled with applied electric (as opposed to magnetic) fields, making them candidate materials for spin-orbitronic applications. Our findings also show that the degree of spin splitting could be tuned by adjusting the dopant concentration. Defect calculations and ab initio molecular dynamics simulations indicate that stable doping configurations exhibiting the foregoing linear-in-k splitting could be realized under reasonable thermodynamic conditions.

Structure, magnetic, and electrical properties of Zn1-xMnxO material

NASA Astrophysics Data System (ADS)

Sebayang, P.; Hulu, S. F.; Nasruddin, Aryanto, D.; Kurniawan, C.; Subhan, A.; Sudiro, T.; Ginting, M.

2017-07-01

ZnO and MnO2 powder were synthesized using solid state reaction method to produce Zn1-xMnxO materials. Effect of dopant concentrations at the material of Zn1-xMnxO (x = 0.015, 0.02, 0.025) to the change of crystal structure, electrical and magnetic properties was studied. The X-ray diffraction (XRD) result of the samples that were doped with Mn showed a hexagonal wurtzite polycrystalline structure. The addition of Mn dopant resulting the decrease of lattice parameters and peaks intensity. The significant increase of the peak intensity occurred at x = 0.02, which also indicated an increase in the crystal quality of ZnO. The change of the ZnO structure affected the electrical and magnetic properties of the samples.

A comprehensive evaluation of factors that influence the spin polarization of electrons emitted from bulk GaAs photocathodes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Wei; Poelker, Matt; Peng, Xincun

Here, the degree of polarization of photoemitted electrons extracted from bulk unstrained GaAs photocathodes is usually considerably less than the theoretical maximum value of 50%, as a result of depolarization mechanisms that originate within the photocathode material and at the vacuum surface interface. This paper provides a comprehensive review of depolarization mechanisms and presents a systematic experimental evaluation of polarization sensitivities to temperature, dopant density, quantum efficiency, and crystal orientation. The highest measured polarization was similar to 50%, consistent with the maximum theoretical value, obtained from a photocathode sample with relatively low dopant concentration and cooled to 77 K. Inmore » general, measurements indicate electron spin polarization can be enhanced at the expense of photoelectron yield (or quantum efficiency).« less

Exploration of dynamic dipole polarizability of impurity doped quantum dots in presence of noise

NASA Astrophysics Data System (ADS)

Ghosh, Anuja; Bera, Aindrila; Saha, Surajit; Arif, Sk. Md.; Ghosh, Manas

2018-02-01

Present study strives to perform a rigorous exploration of dynamic dipole polarizability (DDP) of GaAs quantum dot (QD) containing dopant with special reference to influence of Gaussian white noise. Several physical quantities have been varied over a range to observe the modulations of the DDP profiles. Aforesaid physical quantities include magnetic field, confinement potential, dopant location, dopant potential, noise strength, aluminium concentration (only for Alx Ga1 - x As alloy QD), position-dependent effective mass (PDEM), position-dependent dielectric screening function (PDDSF), anisotropy, hydrostatic pressure (HP) and temperature. The DDP profiles reveal noticeable characteristics governed by the particular physical quantity involved, presence/absence of noise, the manner (additive/multiplicative) noise is applied to the system and the incoming photon frequency. As a general observation we have found that additive noise causing greater deviation of the DDP profile from noise-free state than its multiplicative neighbor. The study highlights viable means of harnessing DDP of doped QD under the governance of noise by appropriate adjustment of several relevant factors. The study merits importance in the light of technological applications of QD-based devices where noise appears as an integral component.

Piezoresistive Cantilever Performance—Part I: Analytical Model for Sensitivity

PubMed Central

Park, Sung-Jin; Doll, Joseph C.; Pruitt, Beth L.

2010-01-01

An accurate analytical model for the change in resistance of a piezoresistor is necessary for the design of silicon piezoresistive transducers. Ion implantation requires a high-temperature oxidation or annealing process to activate the dopant atoms, and this treatment results in a distorted dopant profile due to diffusion. Existing analytical models do not account for the concentration dependence of piezoresistance and are not accurate for nonuniform dopant profiles. We extend previous analytical work by introducing two nondimensional factors, namely, the efficiency and geometry factors. A practical benefit of this efficiency factor is that it separates the process parameters from the design parameters; thus, designers may address requirements for cantilever geometry and fabrication process independently. To facilitate the design process, we provide a lookup table for the efficiency factor over an extensive range of process conditions. The model was validated by comparing simulation results with the experimentally determined sensitivities of piezoresistive cantilevers. We performed 9200 TSUPREM4 simulations and fabricated 50 devices from six unique process flows; we systematically explored the design space relating process parameters and cantilever sensitivity. Our treatment focuses on piezoresistive cantilevers, but the analytical sensitivity model is extensible to other piezoresistive transducers such as membrane pressure sensors. PMID:20336183

Piezoresistive Cantilever Performance-Part I: Analytical Model for Sensitivity.

PubMed

Park, Sung-Jin; Doll, Joseph C; Pruitt, Beth L

2010-02-01

An accurate analytical model for the change in resistance of a piezoresistor is necessary for the design of silicon piezoresistive transducers. Ion implantation requires a high-temperature oxidation or annealing process to activate the dopant atoms, and this treatment results in a distorted dopant profile due to diffusion. Existing analytical models do not account for the concentration dependence of piezoresistance and are not accurate for nonuniform dopant profiles. We extend previous analytical work by introducing two nondimensional factors, namely, the efficiency and geometry factors. A practical benefit of this efficiency factor is that it separates the process parameters from the design parameters; thus, designers may address requirements for cantilever geometry and fabrication process independently. To facilitate the design process, we provide a lookup table for the efficiency factor over an extensive range of process conditions. The model was validated by comparing simulation results with the experimentally determined sensitivities of piezoresistive cantilevers. We performed 9200 TSUPREM4 simulations and fabricated 50 devices from six unique process flows; we systematically explored the design space relating process parameters and cantilever sensitivity. Our treatment focuses on piezoresistive cantilevers, but the analytical sensitivity model is extensible to other piezoresistive transducers such as membrane pressure sensors.

Preparation and characterization of electrodeposited SnS:In thin films: Effect of In dopant.

PubMed

Kafashan, Hosein; Balak, Zohre

2017-09-05

SnS:In thin films were grown on fluorine doped tin oxide (FTO) substrate by cathodic electrodeposition technique. The solution was containing 2mM SnCl 2 and 16mM Na 2 S 2 O 3 and different amounts of 1mM InCl 3 as In-dopant. The pH, bath temperature, deposition time, and deposition potential (E) were fixed at 2.1, 60°C, 30min, and -1V, respectively. The XRD results showed that the synthesized films were polycrystalline orthorhombic SnS. The XPS results demonstrated that the films were composed of Sn, S and In. According to the FESEM images, an increase in In-dopant concentration leads to a change in morphology from grain-like to sheet-like having a nanoscale thickness of 20-80nm and fiber-like. The PL spectra of undoped SnS exhibited four emission peaks including a UV peak, two blue emission peaks, and an IR emission peak. According to the UV-Vis spectra, the direct band gap of SnS:In thin films was estimated to be 1.40-1.66eV. Copyright © 2017 Elsevier B.V. All rights reserved.

Preparation and characterization of electrodeposited SnS:In thin films: Effect of In dopant

NASA Astrophysics Data System (ADS)

Kafashan, Hosein; Balak, Zohre

2017-09-01

SnS:In thin films were grown on fluorine doped tin oxide (FTO) substrate by cathodic electrodeposition technique. The solution was containing 2 mM SnCl2 and 16 mM Na2S2O3 and different amounts of 1 mM InCl3 as In-dopant. The pH, bath temperature, deposition time, and deposition potential (E) were fixed at 2.1, 60 °C, 30 min, and - 1 V, respectively. The XRD results showed that the synthesized films were polycrystalline orthorhombic SnS. The XPS results demonstrated that the films were composed of Sn, S and In. According to the FESEM images, an increase in In-dopant concentration leads to a change in morphology from grain-like to sheet-like having a nanoscale thickness of 20-80 nm and fiber-like. The PL spectra of undoped SnS exhibited four emission peaks including a UV peak, two blue emission peaks, and an IR emission peak. According to the UV-Vis spectra, the direct band gap of SnS:In thin films was estimated to be 1.40-1.66 eV.

Electrical and optical evaluation of n-type doping in In x Ga(1-x)P nanowires.

PubMed

Zeng, Xulu; Mourão, Renato T; Otnes, Gaute; Hultin, Olof; Dagytė, Vilgailė; Heurlin, Magnus; Borgström, Magnus T

2018-06-22

To harvest the benefits of III-V nanowires in optoelectronic devices, the development of ternary materials with controlled doping is needed. In this work, we performed a systematic study of n-type dopant incorporation in dense In x Ga (1-x) P nanowire arrays using tetraethyl tin (TESn) and hydrogen sulfide (H 2 S) as dopant precursors. The morphology, crystal structure and material composition of the nanowires were characterized by use of scanning electron microscopy, transmission electron microscopy and energy dispersive x-ray analysis. To investigate the electrical properties, the nanowires were broken off from the substrate and mechanically transferred to thermally oxidized silicon substrates, after which electron beam lithography and metal evaporation were used to define electrical contacts to selected nanowires. Electrical characterization, including four-probe resistivity and Hall effect, as well as back-gated field effect measurements, is combined with photoluminescence spectroscopy to achieve a comprehensive evaluation of the carrier concentration in the doped nanowires. We measure a carrier concentration of ∼1 × 10 16 cm -3 in nominally intrinsic nanowires, and the maximum doping level achieved by use of TESn and H 2 S as dopant precursors using our parameters is measured to be ∼2 × 10 18 cm -3 , and ∼1 × 10 19 cm -3 , respectively (by Hall effect measurements). Hence, both TESn and H 2 S are suitable precursors for a wide range of n-doping levels in In x Ga (1-x) P nanowires needed for optoelectronic devices, grown via the vapor-liquid-solid mode.

Sol-gel route approach and improvisation in physico-chemical, structural, magnetic and electrical properties of BaCox/2Znx/2ZrxFe(12-2x)O19 ferrites

NASA Astrophysics Data System (ADS)

Kaur Jassal, Amanpreet; Mudsainiyan, R. K.; Chawla, S. K.; Anu; Bindra Narang, Sukhleen; Pubby, Kunal

2018-02-01

The structural and magnetic properties of Zn, Co and Zr cations doped barium hexaferrite [Ba(Znx/2Cox/2)xZrxFe(12-2x)O19] nanoparticles synthesized by sol-gel method have been investigated. X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM) and vibrating sample magnetometer (VSM) were employed to investigate the physico-chemical properties of the obtained ferrite samples. XRD studies reveal that the magnetoplumbite structure for all sample (up to x = 0.8) have been formed and the crystallite size of nanoparticles lies in the range of 34-46 nm. At higher dopant concentration, other impurities (α-Fe2O3 and BaFe2O4 etc.) have been observed. Magnetic studies indicate that site occupancy and nature of dopant ions greatly affect the behavior of magnetic properties. The results of VSM and LCR analysis show that magnetic and electrical parameters vary with an increase in dopant concentration. The results of BET surface area of samples indicate that these types of materials could be used for catalytic properties. Dielectric constant, dielectric loss tangent and A.C. conductivity weremeasured using impedance analyzer over wide frequency range 20 Hz-120 MHz. All the three parameters increase significantly with increase in doping. Increase in dielectric constant proposes these materials for fabrication of microwave devices, while increase in dielectric loss tangent proposes these for applications such as attenuator, absorber etc.

Electrical and optical evaluation of n-type doping in In x Ga(1‑x)P nanowires

NASA Astrophysics Data System (ADS)

Zeng, Xulu; Mourão, Renato T.; Otnes, Gaute; Hultin, Olof; Dagytė, Vilgailė; Heurlin, Magnus; Borgström, Magnus T.

2018-06-01

To harvest the benefits of III–V nanowires in optoelectronic devices, the development of ternary materials with controlled doping is needed. In this work, we performed a systematic study of n-type dopant incorporation in dense In x Ga(1‑x)P nanowire arrays using tetraethyl tin (TESn) and hydrogen sulfide (H2S) as dopant precursors. The morphology, crystal structure and material composition of the nanowires were characterized by use of scanning electron microscopy, transmission electron microscopy and energy dispersive x-ray analysis. To investigate the electrical properties, the nanowires were broken off from the substrate and mechanically transferred to thermally oxidized silicon substrates, after which electron beam lithography and metal evaporation were used to define electrical contacts to selected nanowires. Electrical characterization, including four-probe resistivity and Hall effect, as well as back-gated field effect measurements, is combined with photoluminescence spectroscopy to achieve a comprehensive evaluation of the carrier concentration in the doped nanowires. We measure a carrier concentration of ∼1 × 1016 cm‑3 in nominally intrinsic nanowires, and the maximum doping level achieved by use of TESn and H2S as dopant precursors using our parameters is measured to be ∼2 × 1018 cm‑3, and ∼1 × 1019 cm‑3, respectively (by Hall effect measurements). Hence, both TESn and H2S are suitable precursors for a wide range of n-doping levels in In x Ga(1‑x)P nanowires needed for optoelectronic devices, grown via the vapor–liquid–solid mode.

The effect of MgO on the optical properties of lithium sodium borate doped with Cu+ ions

NASA Astrophysics Data System (ADS)

Alajerami, Yasser Saleh Mustafa; Hashim, Suhairul; Hassan, Wan Muhamad Saridan Wan; Ramli, Ahmad Termizi; Saleh, Muneer Aziz

2013-04-01

The current work presented the photoluminescence (PL) properties of a new glass system, which are reported for the first time. Based on the attractive properties of borate glass, a mixture of boric acid (70-x mol %) modified with lithium (20 mol %) and sodium carbonate (10 mol %) was prepared. The current study illustrated the effect of dopant and co-dopant techniques on the lithium sodium borate (LNB). Firstly, 0.1 mol % of copper ions doped with LNB was excited at 610 nm. The emission spectrum showed two prominent peaks in the violet region (403 and 440 nm). Then, we remarked the effect of adding different concentration of MgO on the optical properties of LNB. The results showed the great effect of magnesium oxide on the PL intensities (enhanced more than two times). Moreover, an obvious shifting has been defined toward the blue region (440 → 475 nm). The up-conversion optical properties were observed in all emission spectra. This enhancement is contributed to the energy transfer from MgO ions to monovalent Cu+ ion. It is well known that magnesium oxide alone generates weak emission intensity, but during this increment the MgO act as an activator (co-doped) for Cu+ ions. Finally, energy band gap, density, ion concentration, molar volume, Polaron radius and inter-nuclear distance all were measured for the current samples. The current samples were subjected to XRD for amorphous confirmation and IR for glass characterization before and after dopants addition. Finally, some of significant physical and optical parameters were also calculated.

Trace element doping in calcium phosphate ceramics to Understand osteogenesis and angiogenesis

PubMed Central

Bose, Susmita; Fielding, Gary; Tarafder, Solaiman; Bandyopadhyay, Amit

2013-01-01

The general trends in synthetic bone grafting materials are shifting towards approaches that can illicit osteoinductive properties. Pharmacologics and biologics have been used in combination with calcium phosphate (CaP) ceramics, however, recently have become the target of scrutiny over the safety. The importance of trace elements in natural bone health is well documented. Ions, e.g. lithium, zinc, magnesium, manganese, silicon, strontium etc. have shown to increase osteogenesis and neovascularization. Incorporation of dopants into CaPs can provide a platform for safe and efficient delivery in clinical applications where increased bone healing is favorable. This review highlights use of trace elements in CaP biomaterials, and offers an insight into the mechanisms of how metal ions can enhance both osteogenesis and angiogenesis. PMID:24012308

Factors influencing preparation of polyaniline doped with hydrochloric acid

NASA Astrophysics Data System (ADS)

Chuanyu, Sun; Yu, Wang

2014-12-01

Factors influencing the reaction of chemical polymerization during aniline doping with hydrochloric acid (HCl) have been studied in this work. The optimal parameters for the preparation of polyaniline were determined as follows: aniline concentration - 4 mass %, molar ratios of oxidant (NH4)2S2O8:aniline - 1.2:1 and 1.3:1, the concentration of dopant - 1 mol/L. Fourier transform infrared spectroscopy (FT-IR) was applied to characterize the structure of polyaniline.

Defect chemistry and characterization of Hg sub 1x Cd sub x Te

NASA Technical Reports Server (NTRS)

Vydyanath, H. R.

1982-01-01

Single crystal samples of undoped and doped Hg sub 1-x Cd sub x Te were annealed at varying temperatures and partial pressures of Hg. Hall effect and mobility measurements were carried out on these samples after quenching to room temperature. Based on the variation of the carrier concentration and the carrier mobility as a function of the partial pressure of Hg temperature, and dopant concentration, defect models were established for the doped and the undoped crystals. These models indicate that the native acceptor defects in both Hg0.8Cd0.2Te and Hg0.6Cd0.4Te doubly ionized and the native donor defects are negligible in concentration, implying that p to n conversion in these alloys occurs due only to residual donors. Incorporation mechanism of copper, indium, iodine, and phosphorus were investigated. A large concentration of indium is found to be paired with the native acceptor defects. Results on crystals doped with phosphorus indicate that phosphorus behaves amphoterically, acting as a donor on Hg lattice sites and as an acceptor intersitially on Te lattice sites. A majority of the phosphorus is found to be present as neutral species formed from the pairing reaction between phosphorus on Hg lattice sites and phosphorus in interstitial sites. Equilibrium constants for the intrinsic excitation reaction, as well as for the incorporation of the different dopants and the native acceptor defects were established.

The preparation of in situ doped hydrogenated amorphous silicon by homogeneous chemical vapor deposition

NASA Astrophysics Data System (ADS)

Meyerson, B. S.; Scott, B. A.; Wolford, D. J.

1983-03-01

Raman scattering, infrared absorption, conductivity measurements, electron microprobe, and secondary ion mass spectrometry (SIMS) were used to characterize boron and phosphorus doped hydrogenated amorphous silicon (a-Si:H) films prepared by Homogeneous Chemical Vapor Deposition (HOMOCVD). HOMOCVD is a thermal process which relies upon the gas phase pyrolysis of a source (silane containing up to 1.0% diborane or phosphine) to generate activated species for deposition upon a cooled substrate. Doped films prepared at 275 °C by this process were found to contain ˜12-at. % hydrogen as determined by infrared absorption. We examined dopant incorporation from the gas phase, obtaining values for a distribution coefficient CD (film dopant content/gas phase dopant concentration, atomic basis) of 0.33≤CD ≤0.63 for boron, while 0.4≤CD ≤10.75 in the limits 3.3×10-5≤PH3/SiH4≤0.004. We interpret the data as indicative of the formation of an unstable phosphorus/silicon intermediate in the gas phase, leading to the observed enhancements in CD at high gas phase phosphine content. HOMOCVD films doped at least as efficiently as their prepared counterparts, but tended to achieve higher conductivities [σ≥0.1 (Ω cm)-1 for 4.0% incorporated phosphorus] in the limit of heavy doping. Raman spectra showed no evidence of crystallinity in the doped films. Film properties (conductivity, activation energy of of conduction) have not saturated at the doping levels investigated here, making the attainment of higher ``active'' dopant levels a possibility. We attribute the observation that HOMOCVD appears more amenable to high ``active'' dopant levels than plasma techniques to the low (˜0.1 eV) thermal energy at which HOMOCVD proceeds, versus ˜10-100 eV for plasma techniques. Low substrate temperature (75 °C) doped films were prepared with initial results showing these films to dope as readily as those prepared at high temperature (T˜275 °C).

Stress and efficiency studies in edge-defined film-fed growth

NASA Technical Reports Server (NTRS)

Kalejs, J.

1986-01-01

The progress was reviewed for stress and efficiency studies of edge-defined film-fed growth (EFG) material. Effort was concentrated on the definition of condiitions that will reduce stress, on quantifying dislocation electrical activity and limits on solar cell efficiency, and on studying the effects of dopants on EFG characteristics.

Strontium iodide scintillators for high energy resolution gamma ray spectroscopy

NASA Astrophysics Data System (ADS)

Wilson, Cody M.; van Loef, Edgar V.; Glodo, Jarek; Cherepy, Nerine; Hull, Giulia; Payne, Stephen; Choong, Woon-Seng; Moses, William; Shah, Kanai S.

2008-08-01

Recently SrI2, a scintillator patented by Hofstadter in 1968, has been rediscovered and shown to possess remarkable scintillation properties. The light output of SrI2:Eu2+ has been measured to be even higher than previously observed and exceeds 120,000 photons/MeV, making it one of the brightest scintillators in existence. The crystal also has excellent energy resolution of less than 3% at 662 keV. The response is highly linear over a wide range of gamma ray energies. The emission of SrI2:Eu2+ and SrI2:Ce3+/Na+ is well-matched to both photomultiplier tubes and blue-enhanced silicon photodiodes. While SrI2:Eu2+ is relatively slow, SrI2:Ce3+/Na+ has a fast response. SrI2 crystals with many different dopant concentrations have been grown and characterized. In this presentation, crystal growth techniques as well as the effects of dopant concentration on the scintillation properties of SrI2, over the range 0.5% to 8% Eu2+ and 0.5% to 2% Ce3+/Na+, will be discussed in detail.

Counter-ion and dopant effects on charge carriers in intrinsically conductive polymer

NASA Astrophysics Data System (ADS)

Ogle, Jonathan; Yehulie, Mandefro; Boehme, Christoph; Whittaker-Brooks, Luisa

Recently, a significant amount of attention has been devoted to the optimization and applications of organic electronics. In particular, intrinsically conductive polymers have seen a strong continued interest for their use in thermoelectric and photovoltaic devices. With conductivities ranging from 10-8 to 103 S cm-1, the conductive polymer poly(3,4-ethylenedioxythiophene) -PEDOT is one of the most studied solution-processable polymer material due to its unique optical and electronic properties. While charge carriers at lower conductivities have been identified as polarons, an understanding of the electronic structure of PEDOT as its conductivity increases is not well understood. We have investigated the effect that counter-ion exchange and doping has on the polaron concentration of PEDOT via electron paramagnetic resonance, ultraviolet photoelectron spectroscopy, and X-ray absorption fine structure spectroscopy studies. Such studies have allowed us to correlate charge carriers concentrations and the real and virtual electronic states in PEDOT as a function of various dopants. As discussed in our talk, we believe our findings could be extended to the understanding of other polymeric materials.

Transport properties of undoped and Br-doped PbTe sintered at high temperature and pressure> 4.0 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yongkwan, Dong; McGuire, Michael A; Malik, Abds-Sami

2009-01-01

The thermoelectric properties of nominally undoped PbTe and Br doped PbTe materials sintered at high-pressure and high-temperature (HPHT) have been studied. All samples show n-type semiconducting behavior with negative thermopower. For undoped PbTe, four different HPHT treatments were performed at pressures between 4.0 and 6.5 GPa. PbTe doped with Br at 0.5, 1.0, 2.0, 3.0 x 10{sup 19} cm{sup -3} was HPHT treated at 4.0 GPa and 1045 C. As the dopant concentration increases, the absolute thermopower decreases, thermal conductivity increases, and electrical resistivity decreases. At a nominal dopant concentration of 1.0 x 10{sup 19} cm{sup -3}, carrier mobility ofmore » 1165 cm{sup 2}/V s and dimensionless thermoelectric figure-of-merit, ZT, of around 0.27 at 300 K were obtained. These results demonstrate that HPHT post-processing is a viable and controllable way of tuning the thermoelectric properties of PbTe-based materials.« less

Effect of cobalt doping on the phase transformation of TiO2 nanoparticles.

PubMed

Barakat, M A; Hayes, G; Shah, S Ismat

2005-05-01

Co-doped TiO2 nanoparticles containing 0.0085, 0.017, 0.0255, 0.034, and 0.085 mol % Co(III) ion dopant were synthesized via sol-gel and dip-coating techniques. The effects of metal ion doping on the transformation of anatase to the rutile phase have been investigated. Several analytical tools, such as X-ray diffraction (XRD), transmission electron microscope (TEM), X-ray photoelectron spectroscopy (XPS), and energy dispersive X-ray analysis (EDAX) were used to investigate the nanoparticle structure, size distribution, and composition. Results obtained revealed that the rutile to anatase concentration ratio increases with increase of the cobalt dopant concentration and annealing temperature. The typical composition of Co-doped TiO2 was Ti(1-x)Co(x)O2, where x values ranged from 0.0085 to 0.085. The activation energy for the phase transformation from anatase to rutile was measured to be 229, 222, 211, and 195 kJ/mole for 0.0085, 0.017, 0.0255, and 0.034 mol % Co in TiO2, respectively.

Anomalous dynamics of interstitial dopants in soft crystals

PubMed Central

Tauber, Justin; Higler, Ruben; Sprakel, Joris

2016-01-01

The dynamics of interstitial dopants govern the properties of a wide variety of doped crystalline materials. To describe the hopping dynamics of such interstitial impurities, classical approaches often assume that dopant particles do not interact and travel through a static potential energy landscape. Here we show, using computer simulations, how these assumptions and the resulting predictions from classical Eyring-type theories break down in entropically stabilized body-centered cubic (BCC) crystals due to the thermal excitations of the crystalline matrix. Deviations are particularly severe close to melting where the lattice becomes weak and dopant dynamics exhibit strongly localized and heterogeneous dynamics. We attribute these anomalies to the failure of both assumptions underlying the classical description: (i) The instantaneous potential field experienced by dopants becomes largely disordered due to thermal fluctuations and (ii) elastic interactions cause strong dopant–dopant interactions even at low doping fractions. These results illustrate how describing nonclassical dopant dynamics requires taking the effective disordered potential energy landscape of strongly excited crystals and dopant–dopant interactions into account. PMID:27856751

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

2008-01-01

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, Paul; Carey, Paul G.; Smith, Patrick M.; Ellingboe, Albert R.

1999-01-01

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques.

Deposition of dopant impurities and pulsed energy drive-in

DOEpatents

Wickboldt, P.; Carey, P.G.; Smith, P.M.; Ellingboe, A.R.

1999-06-29

A semiconductor doping process which enhances the dopant incorporation achievable using the Gas Immersion Laser Doping (GILD) technique is disclosed. The enhanced doping is achieved by first depositing a thin layer of dopant atoms on a semiconductor surface followed by exposure to one or more pulses from either a laser or an ion-beam which melt a portion of the semiconductor to a desired depth, thus causing the dopant atoms to be incorporated into the molten region. After the molten region recrystallizes the dopant atoms are electrically active. The dopant atoms are deposited by plasma enhanced chemical vapor deposition (PECVD) or other known deposition techniques. 2 figs.

Metal-doped graphene layers composed with boron nitride-graphene as an insulator: a nano-capacitor.

PubMed

Monajjemi, Majid

2014-11-01

A model of a nanoscale dielectric capacitor composed of a few dopants has been investigated in this study. This capacitor includes metallic graphene layers which are separated by an insulating medium containing a few h-BN layers. It has been observed that the elements from group IIIA of the periodic table are more suitable as dopants for hetero-structures of the {metallic graphene/hBN/metallic graphene} capacitors compared to those from groups IA or IIA. In this study, we have specifically focused on the dielectric properties of different graphene/h-BN/graphene including their hetero-structure counterparts, i.e., Boron-graphene/h-BN/Boron-graphene, Al-graphene/h-BN/Al-graphene, Mg-graphene/h-BN/Mg-graphene, and Be-graphene/h-BN/Be-graphene stacks for monolayer form of dielectrics. Moreover, we studied the multi dielectric properties of different (h-BN)n/graphene hetero-structures of Boron-graphene/(h-BN)n/Boron-graphene.

Non-noble metal based electro-catalyst compositions for proton exchange membrane based water electrolysis and methods of making

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumta, Prashant N.; Kadakia, Karan Sandeep; Datta, Moni Kanchan

The invention provides electro-catalyst compositions for an anode electrode of a proton exchange membrane-based water electrolysis system. The compositions include a noble metal component selected from the group consisting of iridium oxide, ruthenium oxide, rhenium oxide and mixtures thereof, and a non-noble metal component selected from the group consisting of tantalum oxide, tin oxide, niobium oxide, titanium oxide, tungsten oxide, molybdenum oxide, yttrium oxide, scandium oxide, cooper oxide, zirconium oxide, nickel oxide and mixtures thereof. Further, the non-noble metal component can include a dopant. The dopant can be at least one element selected from Groups III, V, VI and VIImore » of the Periodic Table. The compositions can be prepared using a surfactant approach or a sol gel approach. Further, the compositions are prepared using noble metal and non-noble metal precursors. Furthermore, a thin film containing the compositions can be deposited onto a substrate to form the anode electrode.« less

Study of the thermoelectric properties of lead selenide doped with boron, gallium, indium, or thallium.

PubMed

Zhang, Qian; Cao, Feng; Lukas, Kevin; Liu, Weishu; Esfarjani, Keivan; Opeil, Cyril; Broido, David; Parker, David; Singh, David J; Chen, Gang; Ren, Zhifeng

2012-10-24

Group IIIA elements (B, Ga, In, and Tl) have been doped into PbSe for enhancement of thermoelectric properties. The electrical conductivity, Seebeck coefficient, and thermal conductivity were systematically studied. Room-temperature Hall measurements showed an effective increase in the electron concentration upon both Ga and In doping and the hole concentration upon Tl doping to ~7 × 10(19) cm(-3). No resonant doping phenomenon was observed when PbSe was doped with B, Ga, or In. The highest room-temperature power factor ~2.5 × 10(-3) W m(-1) K(-2) was obtained for PbSe doped with 2 atom % B. However, the power factor in B-doped samples decreased with increasing temperature, opposite to the trend for the other dopants. A figure of merit (ZT) of ~1.2 at ~873 K was achieved in PbSe doped with 0.5 atom % Ga or In. With Tl doping, modification of the band structure around the Fermi level helped to increase the Seebeck coefficient, and the lattice thermal conductivity decreased, probably as a result of effective phonon scattering by both the heavy Tl(3+) ions and the increased grain boundary density after ball milling. The highest p-type ZT value was ~1.0 at ~723 K.

Combination of Carrier Concentration Regulation and High Band Degeneracy for Enhanced Thermoelectric Performance of Cu3SbSe4.

PubMed

Zhang, Dan; Yang, Junyou; Jiang, Qinghui; Zhou, Zhiwei; Li, Xin; Xin, Jiwu; Basit, Abdul; Ren, Yangyang; He, Xu; Chu, Weijing; Hou, Jingdi

2017-08-30

The effect of Al-, Ga-, and In-doping on the thermoelectric (TE) properties of Cu 3 SbSe 4 has been comparatively studied on the basis of theoretical prediction and experimental validation. It is found that tiny Al/Ga/In substitution leads to a great enhancement of electrical conductivity with high carrier concentration and also large Seebeck coefficient due to the preserved high band degeneracy and thereby a remarkably high power factor. Ultimately, coupled with the depressed lattice thermal conductivity, all three elements (Al/Ga/In) substituted samples have obtained a highly improved thermoelectric performance with respect to undoped Cu 3 SbSe 4 . Compared to the samples at the same Al/In doping level, the slightly Ga-doped sample presents better TE performance over the wide temperature range, and the Cu 3 Sb 0.995 Ga 0.005 Se 4 sample presents a record high ZT value of 0.9 among single-doped Cu 3 SbSe 4 at 623 K, which is about 80% higher than that of pristine Cu 3 SbSe 4 . This work offers an alternative approach to boost the TE properties of Cu 3 SbSe 4 by selecting efficient dopant to weaken the coupling between electrical conductivity and Seebeck coefficient.

Carbon reactivation kinetics in GaAs: Its dependence on dopant precursor, doping level, and layer thickness

NASA Astrophysics Data System (ADS)

Mimila-Arroyo, J.; Bland, S.; Barbé, M.

2002-05-01

The reactivation kinetics of the acceptor behavior of carbon, its dependence on dopant precursors, doping level, layer thickness, and annealing temperature, as well as the behavior of carbon-hydrogen complexes in GaAs grown by metalorganic chemical vapor deposition are studied. Independent of the carbon source, in the "as grown" material, systematically carbon hydrogen complexes are present and the hole concentration is lower than the corresponding carbon concentration. The carbon reactivation kinetics was achieved by ex situ rapid thermal annealing through a series of multistage annealing experiments and assessed at each annealing stage by infrared absorption, hydrogen secondary ion mass spectroscopy profiling, and hole concentration measurements. Carbon reactivation occurs solely by the debonding of hydrogen from the isolated carbon acceptor and its out-diffusion from the sample. The carbon reactivation kinetics can be treated as a first order one with an activation energy, Ea=1.42±0.01 eV, independent of doping precursors, doping level, and layer thickness. The reactivation constant results to decrease as doping level and layer thickness increase. An empirical formula has been obtained that allows one to calculate the reactivation constant as a function of the carbon doping, layer thickness, and annealing temperature, allowing one to determine the optimal carbon reactivation conditions for any C:GaAs layer.

An insight into the origin of room-temperature ferromagnetism in SnO2 and Mn-doped SnO2 quantum dots: an experimental and DFT approach.

PubMed

Manikandan, Dhamodaran; Boukhvalov, D W; Amirthapandian, S; Zhidkov, I S; Kukharenko, A I; Cholakh, S O; Kurmaev, E Z; Murugan, Ramaswamy

2018-02-28

SnO 2 and Mn-doped SnO 2 single-phase tetragonal crystal structure quantum dots (QDs) of uniform size with control over dopant composition and microstructure were synthesized using the high pressure microwave synthesis technique. On a broader vision, we systematically investigated the influence of dilute Mn ions in SnO 2 under the strong quantum confinement regime through various experimental techniques and density functional theoretical (DFT) calculations to disclose the physical mechanism governing the observed ferromagnetism. DFT calculations revealed that the formation of the stable (001) surface was much more energetically favorable than that of the (100) surface, and the formation energy of the oxygen vacancies in the stable (001) surface was comparatively higher in the undoped SnO 2 QDs. X-ray photoelectron spectroscopy (XPS) and first-principles modeling of doped QDs revealed that the lower doping concentration of Mn favored the formation of MnO-like (Mn 2+ ) structures in defect-rich areas and the higher doping concentration of Mn led to the formation of multiple configurations of Mn (Mn 2+ and Mn 3+ ) in the stable surfaces of SnO 2 QDs. Electronic absorption spectra indicated the characteristic spin allowed ligand field transitions of Mn 2+ and Mn 3+ and the red shift in the band gap. DFT calculations clearly indicated that only the substitutional dopant antiferromagnetic configurations were more energetically favorable. The gradual increase of magnetization at a low level of Mn-doping could be explained by the prevalence of antiferromagnetic manganese-vacancy pairs. Higher concentrations of Mn led to the appearance of ferromagnetic interactions between manganese and oxygen vacancies. The increase in the concentration of metallic dopants caused not just an increase in the total magnetic moment of the system but also changed the magnetic interactions between the magnetic moments on the metal ions and oxygen. The present study provides new insight into the fundamental understanding of the origin of ferromagnetism in transition metal-doped QDs.

Wide Band-Gap Semiconductors. 1991 Materials Research Society Symposium Proceedings

DTIC Science & Technology

1992-09-01

attention of many research groups bccause the instrumental simplicity and high growth rate (1,2). One of the basic problems with this technique, other than...solution with group 1a element as a dopant under controlled Zn vapor pressure. p-n junction diodes are also prepared by the Ga diffusion from Zn solution...stoichiometric composition catl be controlled by the application of the vapor pressure. Mat. Res. Soc. Symp. Proc. Vol. 242. 1992 Materials Research Society 180

New iridium dopants forg white phosphorescent devices: enhancement of efficiency and color stability by an energy-harvesting layer.

PubMed

Chou, Ho-Hsiu; Li, Yi-Kai; Chen, Yu-Han; Chang, Ching-Chih; Liao, Chuang-Yi; Cheng, Chien-Hong

2013-07-10

A new light blue complex (fmoppy)2Ir(tfpypz) [bis(4'-fluoro-6'-methoxylphenyl pyridinato)-iridium(III)-3-(trifluoromethyl)-5-(pyridin-2-yl)-1,2,4-triazolate] and a new orange complex (dpiq)2Ir(acac) [bis(3,4-diphenylisoquinoline)-iridium(III)-acetylacetonate] were synthesized. These two complexes were used as the dopants for the fabrication of two-element white phosphorescent devices. Via the introduction of a thin energy-harvesting layer (EHL) to harvest the extra energy and exciton from the emission zone, highly efficient two-element white devices with excellent color stability were created. One of the best devices shows yellow-white color emission with an extremely high external quantum efficiency (EQE) of 21.5% and a current efficiency of 68.8 cd/A. The other device gave a pure white emission with an external quantum efficiency of 19.2% and a current efficiency of 53.2 cd/A. At a high brightness of 1000 cd/m(2), the EQE still remains as high as 18.9 and 17.2%. With a brightness of 1000-10000 cd/m(2), the CIE coordinates of these two devices shift by only (0.02, ≤0.01). The white phosphorescent devices with the EHL showed much higher efficiency and better color stability than the one without the EHL.

Thermoelectric properties of hot pressed p-type SiGe alloys

NASA Technical Reports Server (NTRS)

Bajgar, Clara; Masters, Richard; Scoville, Nancy; Vandersande, Jan

1991-01-01

This paper presents the results of measurements of electrical resistivity, Seebeck coefficient, thermal conductivity, as well as Hall carrier concentration, and mobility, for hot pressed SiGe 80 at. pct Si-20 at. pct Ge (SiGe) thermoelectric materials containing 0.24-3.0 at. pct boron. The carrier concentration was varied by annealing and quenching at different high temperatures. Figure-of-merit, Z, was found to be 0.60 +/- 0.03 x 10 exp -3/K over a carrier concentration range from 1.8- 3.5 x 10 exp -20/cu cm. This result is very encouraging from a production standpoint, since the dopant concentration is not critical.

Dynamic amplification of light signals in photorefractive ferroelectric liquid crystal blends containing photoconductive chiral dopant

NASA Astrophysics Data System (ADS)

Sasaki, T.; Hafuri, M.; Suda, T.; Nakano, M.; Funada, K.; Ohta, M.; Terazono, T.; Le, K. V.; Naka, Y.

2017-08-01

Effect of ferroelectricity on the photorefractive effect of ferroelectric liquid crystal blends was investigated. The photorefractive effect of ferroelectric liquid crystal blends strongly depend on the ferroelectricity of the blend. We have prepared a series of ferroelectric liquid crystal blends that contains several concentrations of a chiral compound while keeping a constant concentration of a photoconductive moiety. The photorefractive properties of the ferroelectric liquid crystal blends were discussed with relations to the ferroelectric properties of the blends.

Plasmon excitations in doped square-lattice atomic clusters

NASA Astrophysics Data System (ADS)

Wang, Yaxin; Yu, Ya-Bin

2017-12-01

Employing the tight-binding model, we theoretically study the properties of the plasmon excitations in doped square-lattice atomic clusters. The results show that the dopant atoms would blur the absorption spectra, and give rise to extra plasmon resonant peaks as reported in the literature; however, our calculated external-field induced oscillating charge density shows that no obvious evidences indicate the so-called local mode of plasmon appearing in two-dimensional-doped atomic clusters, but the dopants may change the symmetry of the charge distribution. Furthermore, we show that the disorder of the energy level due to dopant makes the absorption spectrum has a red- or blue-shift, which depends on the position of impurities; disorder of hopping due to dopant makes a blue- or red-shift, a larger (smaller) hopping gives a blue-shift (red-shift); and a larger (smaller) host-dopant and dopant-dopant intersite coulomb repulsion induces a blue-shift (red-shift).

Properties and mechanisms of surface doped barium titanate sintered in reducing atmospheres

NASA Astrophysics Data System (ADS)

Spang, David Irwin

2001-07-01

Barium titanate-based dielectric compositions for Multilayer Ceramic Capacitor (MLCC) applications that are properly formulated can maintain acceptable dielectric properties after firing in a reducing atmosphere. The data to be presented relates to the application of an experimental scheme to probe the fundamental nature of doped BaTiO3-based dielectrics exposed to low pO2 sintering atmospheres. Specifically, the effect of Y and Rare Earth dopants Nd, Dy, Ho, and Er and donor dopants Nb, and V have been studied for compositions in the system BaTi(Mn)O3 + SiO2. All dopants were applied to high purity barium titanate as chemical surface coatings. Each coated formulation was evaluated after firing under three different atmospheric conditions. These conditions were comprised of firing in air at 1250°C for 2 hours, firing at 10-10 atm pO2 at 1250°C for 2 hours, and firing at 10-10 atm pO2 at 1250°C for 2 hours with an anneal at 10 -9 atm pO2 at 1000°C for 1 hour. This testing method was useful in gaining insight into the mechanism of the dopant interaction and/or the compensation of the oxygen vacancy concentration. As a donor addition, vanadium was observed to produce the highest dissipation factor when sintered under oxidizing conditions and the lowest dissipation factor when sintered under reducing conditions. The V-doped formulations exhibited satisfactory basic MLCC electrical properties when sintered under reducing conditions. Niobium was observed to impart strong donor character to the dielectric formulations sintered under reducing conditions suggesting that it was unlikely that compensatory A-site cation vacancies were induced. For Y and Rare Earth doped formulations there was an observed shifting and suppression of the Curie Peak that seemed to be attributable to electrostrain effects, related to the ionic radius of the dopants. The observed difference in the TCC behavior of the Nd-doped formulations illustrated two possible effects of Nd doping. One is the effect of grain growth on Nd diffusion into the BaTiO3. The second is a possible effect of a change in the dopant solubility in regions of highly acceptor-rich oxygen vacancies. This result stresses the possible significance of surface coating powders to achieve carefully controlled chemical gradients.

Electron Tunneling in Junctions Doped with Semiconductors and Metals.

NASA Astrophysics Data System (ADS)

Bell, Lloyd Douglas, II

In this study, tunnel junctions incorporating thin layers of semiconductors and metals have been analyzed. Inelastic electron tunneling spectroscopy (IETS) was employed to yield high-resolution vibrational spectra of surface species deposited at the oxide-M_2 interface of M_1-M_1O _{rm x}-M _2 tunneling samples. Analysis was also performed on the elastic component of the tunneling current, yielding information on the tunnel barrier shape. The samples in this research exhibit a wide range of behavior. The IETS for Si, SiO_2, and Ge doped samples show direct evidence of SiH _{rm x} and GeH_ {rm x} formation. The particular species formed is shown to depend on the form of the evaporated dopant. Samples were also made with organic dopants deposited over the evaporated dopants. Many such samples show marked effects of the evaporated dopants on the inelastic peak intensities of the organic dopants. These alterations are correlated with the changed reactivity of the oxide surface coupled with a change in the OH dipole layer density on the oxide. Thicker organic dopant layers cause large changes in the elastic tunneling barrier due to OH layer alterations or the low barrier attributes of the evaporated dopant. In the cases of the thicker layers an extra current-carrying mechanism is shown to be contributing. Electron ejection from charge traps is proposed as an explanation for this extra current. The trend of barrier shape with dopant thickness is examined. Many of these dopants also produce a voltage-induced shift in the barrier shape which is stable at low temperature but relaxes at high temperature. This effect is similar to that produced by certain organic dopants and is explained by metastable bond formation between the surface OH and dopant. Other dopants, such as Al, Mg, and Fe, produce different effects. These dopants cause large I-V nonlinearity at low voltages. This nonlinearity is modeled as a giant zero-bias anomaly (ZBA) and fits are presented which show good agreement with theory. For some samples, poor fits result due to additional nonlinearity at higher voltages. This is explained in terms of a barrier lowering due to disruption of the OH layer or the small bandgap of the dopant.

A parametric study of segregation effects during vertical Bridgman crystal growth with an axial magnetic field

NASA Astrophysics Data System (ADS)

Ma, N.; Walker, J. S.

2000-01-01

This paper presents a model for the unsteady transport of a dopant during the vertical Bridgman crystal growth process with a planar crystal-melt interface and with an axial magnetic field, and investigates the effects of varying different process variables on the crystal composition. The convective mass transport due to the buoyant convection in the melt produces nonuniformities in the concentration in both the melt and the crystal. The convective mass transport plays an important role for all magnetic field strengths considered. Diffusive mass transport begins to dominate for a magnetic flux density of 4 T and a fast growth rate, producing crystals which have an axial variation of the radially averaged crystal composition approaching that of the diffusion-controlled limit. Dopant distributions for several different combinations of process parameters are presented.

Depth profiling of hydrogen passivation of boron in Si(100)

NASA Astrophysics Data System (ADS)

Huang, L. J.; Lau, W. M.; Simpson, P. J.; Schultz, P. J.

1992-08-01

The properties of SiO2/p-Si were studied using variable-energy positron-annihilation spectroscopy and Raman spectroscopy. The oxide film was formed by ozone oxidation in the presence of ultraviolet radiation at room temperature. Both the positron-annihilation and Raman analyses show that chemical cleaning of boron-doped p-type Si(100) using concentrated hydrofluoric acid prior to the oxide formation leads to hydrogen incorporation in the semiconductor. The incorporated hydrogen passivates the boron dopant by forming a B-H complex, the presence of which increases the broadening of the line shape in the positron-annihilation analysis, and narrows the linewidth of the Raman peak. Annealing of the SiO2/Si sample at a moderate temperature of 220 °C in vacuum was found sufficient to dissociate the complex and reactivate the boron dopant.

Interplay of defect doping and Bernal-Fowler rules: A simulation study of the dynamics on ice lattices

NASA Astrophysics Data System (ADS)

Köster, K. W.; Klocke, T.; Wieland, F.; Böhmer, R.

2017-10-01

Protonic defects on ice lattices induced by doping with acids such as HCl and HF or bases such as KOH can facilitate order-disorder transitions. In laboratory experiments KOH doping is efficient in promoting the ordering transition from hexagonal ice I to ice XI, but it is ineffective for other known ice phases, for which HCl can trigger hydrogen ordering. Aiming at understanding these differences, random-walk simulations of the defect diffusion are performed on two- and three-dimensional ice lattices under the constraints imposed by the Bernal-Fowler ice rules. Effective defect diffusion coefficients are calculated for a range of dopants, concentrations, and ice phases. The interaction of different defects, incorporated by different dopants, is investigated to clarify the particular motion-enhancing role played by complementary defect pairs.

Chemical beam epitaxy growth of AlGaAs/GaAs tunnel junctions using trimethyl aluminium for multijunction solar cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Paquette, B.; DeVita, M.; Turala, A.

AlGaAs/GaAs tunnel junctions for use in high concentration multijunction solar cells were designed and grown by chemical beam epitaxy (CBE) using trimethyl aluminium (TMA) as the p-dopant source for the AlGaAs active layer. Controlled hole concentration up to 4⋅10{sup 20} cm{sup −3} was achieved through variation in growth parameters. Fabricated tunnel junctions have a peak tunneling current up to 6140 A/cm{sup 2}. These are suitable for high concentration use and outperform GaAs/GaAs tunnel junctions.

Dopant selection for control of charge carrier density and mobility in amorphous indium oxide thin-film transistors: Comparison between Si- and W-dopants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mitoma, Nobuhiko, E-mail: MITOMA.Nobuhiko@nims.go.jp, E-mail: TSUKAGOSHI.Kazuhito@nims.go.jp; Kizu, Takio; Lin, Meng-Fang

The dependence of oxygen vacancy suppression on dopant species in amorphous indium oxide (a-InO{sub x}) thin film transistors (TFTs) is reported. In a-InO{sub x} TFTs incorporating equivalent atom densities of Si- and W-dopants, absorption of oxygen in the host a-InO{sub x} matrix was found to depend on difference of Gibbs free energy of the dopants for oxidation. For fully oxidized films, the extracted channel conductivity was higher in the a-InO{sub x} TFTs containing dopants of small ionic radius. This can be explained by a reduction in the ionic scattering cross sectional area caused by charge screening effects.

Autothermal reforming catalyst having perovskite structure

DOEpatents

Krumpel, Michael [Naperville, IL; Liu, Di-Jia [Naperville, IL

2009-03-24

The invention addressed two critical issues in fuel processing for fuel cell application, i.e. catalyst cost and operating stability. The existing state-of-the-art fuel reforming catalyst uses Rh and platinum supported over refractory oxide which add significant cost to the fuel cell system. Supported metals agglomerate under elevated temperature during reforming and decrease the catalyst activity. The catalyst is a perovskite oxide or a Ruddlesden-Popper type oxide containing rare-earth elements, catalytically active firs row transition metal elements, and stabilizing elements, such that the catalyst is a single phase in high temperature oxidizing conditions and maintains a primarily perovskite or Ruddlesden-Popper structure under high temperature reducing conditions. The catalyst can also contain alkaline earth dopants, which enhance the catalytic activity of the catalyst, but do not compromise the stability of the perovskite structure.

Hole transport in pure and doped hematite

NASA Astrophysics Data System (ADS)

Liao, Peilin; Carter, Emily A.

2012-07-01

Hematite (α-Fe2O3) is a promising candidate for use in photovoltaic (PV) and photoelectrochemical devices. Its poor conductivity is one major drawback. Doping hematite either p-type or n-type greatly enhances its measured conductivity and is required for potential p-n junctions in PVs. Here, we study hole transport in pure and doped hematite using an electrostatically embedded cluster model with ab initio quantum mechanics (unrestricted Hartree-Fock theory). Consistent with previous work, the model suggests that hole hopping is via oxygen anions for pure hematite. The activation energy for hole mobility is predicted to be at least 0.1 eV higher than the activation energy for electron mobility, consistent with the trend observed in experiments. We examine four dopants—magnesium(II), nickel(II), copper(II), and manganese(II/III) in direct cation substitution sites—to gain insight into the mechanism by which conductivity is improved. The activation energies are used to assess qualitative effects of different dopants. The hole carriers are predicted to be attracted to O anions near the dopants. The magnitude of the trapping effect is similar among the four dopants in their +2 oxidation states. The multivalent character of Mn doping facilitates local hole transport around Mn centers via a low-barrier O-Mn-O pathway, which suggests that higher hole mobility can be achieved with increasing Mn doping concentration, especially when a network of these low-barrier pathways is produced. Our results suggest that the experimentally observed conductivity increase in Mg-, Ni-, and Cu-doped p-type hematite is mostly due to an increase in hole carriers rather than improved mobility, and that Mg-, Ni-, and Cu-doping perform similarly, while the conductivity of Mn-doped hematite might be significantly improved in the high doping concentration limit.

Carbon Doping of Compound Semiconductor Epitaxial Layers Grown by Metalorganic Chemical Vapor Deposition Using Carbon Tetrachloride.

NASA Astrophysics Data System (ADS)

Cunningham, Brian Thomas

1990-01-01

A dilute mixture of CCl_4 in high purity H_2 has been used as a carbon dopant source for rm Al_ {x}Ga_{1-x}As grown by low pressure metalorganic chemical vapor deposition (MOCVD). To understand the mechanism for carbon incorporation from CCl_4 doping and to provide experimental parameters for the growth of carbon doped device structures, the effects of various crystal growth parameters on CCl _4 doping have been studied, including growth temperature, growth rate, V/III ratio, Al composition, and CCl_4 flow rate. Although CCl _4 is an effective p-type dopant for MOCVD rm Al_{x}Ga_ {1-x}As, injection of CCl_4 into the reactor during growth of InP resulted in no change in the carrier concentration or carbon concentration. Abrupt, heavy carbon doping spikes in GaAs have been obtained using CCl_4 without a dopant memory effect. By annealing samples with carbon doping spikes grown within undoped, n-type, and p-type GaAs, the carbon diffusion coefficient in GaAs at 825 ^circC has been estimated and has been found to depend strongly on the GaAs background doping. Heavily carbon doped rm Al_{x}Ga _{1-x}As/GaAs superlattices have been found to be more stable against impurity induced layer disordering (IILD) than Mg or Zn doped superlattices, indicating that the low carbon diffusion coefficient limits the IILD process. Carbon doping has been used in the base region on an Npn AlGaAs/GaAs heterojunction bipolar transistor (HBT). Transistors with 3 x 10 μm self-aligned emitter fingers have been fabricated which exhibit a current gain cutoff frequency of f_ {rm t} = 26 GHz.

Doping of Czochralski-grown bulk β-Ga2O3 single crystals with Cr, Ce and Al

NASA Astrophysics Data System (ADS)

Galazka, Zbigniew; Ganschow, Steffen; Fiedler, Andreas; Bertram, Rainer; Klimm, Detlef; Irmscher, Klaus; Schewski, Robert; Pietsch, Mike; Albrecht, Martin; Bickermann, Matthias

2018-03-01

We experimentally evaluated segregation of Cr, Ce and Al in bulk β-Ga2O3 single crystals grown by the Czochralski method, as well as the impact of these dopants on optical properties. The segregation of Cr and Ce and their incorporation into the β-Ga2O3 crystal structure strongly depends on O2 concentration in the growth atmosphere which has a noticeable impact on decomposition of Ga2O3 and Cr2O3, as well as on the charge state of Cr and Ce. Effective segregation coefficients for Cr are in the range of 3.1-1.5 at 7-24 vol% O2, while for Ce they are roughly below 0.01 at 1.5-34 vol% O2. The effective segregation coefficient for Al is 1.1 at 1.5-21 vol% O2. Both dopants Ce and Al have a thermodynamically stabilizing effect on β-Ga2O3 crystal growth by supressing decomposition. While Ce has no impact on the optical transmittance in the ultraviolet and visible regions, in Cr doped crystals we observe three absorption bands due to Cr3+ on octahedral Ga sites, one in the ultraviolet merging with the band edge absorption of β-Ga2O3 and two in the visible spectrum, for which we estimate the absorption cross sections. Al doping also does not induce dopant related absorption bands but clearly shifts the absorption edge as one expects for a solid-solution crystal Ga2(1-x)Al2xO3 still in the monoclinic phase. For the highest doping concentration (Ga1.9Al0.1O3) we estimate an increase of the energy gap by 0.11 eV.

Growth of single crystal silicon carbide by halide chemical vapor deposition

NASA Astrophysics Data System (ADS)

Fanton, Mark A.

The goal of this thesis is to understand relationships between the major process variables and the growth rate, doping, and defect density of SiC grown by halide chemical vapor deposition (HCVD). Specifically this work addresses the maximum C/Si ratios that can be utilized for single crystal SiC growth by providing a thermodynamic model for determining the boundary between single crystal growth and SiC+C mixed phase growth in the Si-C-Cl-H system. SiC epitaxial layers ranging from 50--200microm thick were grown at temperatures near 2000°C on 6H and 4H-SiC substrates at rates up to 250microm/hr. Experimental trends in the growth rate as a function of precursor flow rates and temperature closely match those expected from thermodynamic equilibrium in a closed system. The equilibrium model can be used to predict the trends in growth rate with the changes in precursor flow rates as well as the boundary between deposition of pure SiC and deposition of a mixture of SiC and C. Calculation of the boundary position in terms of the SiCl 4 and CH4 concentrations provides an upper limit on the C/Si ratio that can be achieved for any given set of crystal growth conditions. The model can be adjusted for changes in temperature, pressure, and chlorine concentration as well. The boundary between phase pure and mixed phase growth was experimentally shown to be very abrupt, thereby providing a well defined window for Si-rich and C-rich growth conditions. Growth of SiC epitaxial layers by HCVD under both Si-rich and C-rich conditions generally yielded the same trends in dopant incorporation as those observed in conventional silane-based CVD processes. Nitrogen incorporation was highest on the C-face of 4H-SiC substrates but could be reduced to concentrations as low as 1x1015 atoms/cm3 at C/Si ratios greater than 1. Residual B concentrations were slightly higher for epitaxial layers grown on the Si-face of substrates. However, changes in the C/Si ratio had no effect on B incorporation at concentrations on the order of 1x10 15 atoms/cm3. No significant trends in structural quality or defect density were evident as the C/Si ratio was varied from 0.72 to 1.81. Structural quality and defect density were more closely related to substrate off-cut and polarity. The highest quality crystals were grown on the C-face of 4° off-axis substrates as measured by HRXRD rocking curves. Growth on on-axis substrates was most successful on the C-face, although the x-ray rocking curves were nearly twice as wide as those on off-axis substrates. Etch pit densities obtained by KOH etching layers grown on Si-face substrates were closely related to the defect density of the substrate not the C/Si ratio. Thick p-type layers with B or Al dopant concentrations on the order of 1019 atoms/cm3 were readily achieved with the HCVD process. Trimethylaluminum and BCl3 were successfully employed as dopant sources. Aluminum incorporation was sensitive to both the substrate surface polarity and the C/Si ratio employed for growth. Dopant concentrations were maximized under C-rich growth conditions on the Si-face of SiC substrates. Boron incorporation was insensitive to both the surface polarity of the substrate and the C/Si used for layer growth even though B appears to favor incorporation on Si lattice sites. Boron acceptors in HCVD grown SiC are not passivated by H to any significant extent based on a comparison of net acceptor concentrations and B doping concentrations. In addition, the lattice parameters epitaxial layers doped with B at concentrations on the order of 1019 atoms/cm3 showed no change as a function of B concentration. This was in contrast to the lattice parameter decrease as expected from a comparison between the size of the Si and B atoms. The HCVD process has demonstrated an order of magnitude higher growth rates than conventional SiC CVD and while providing control over the C/Si ratio. This allows the user to directly influence dopant incorporation and growth morphology. However, this control should also permit several other material properties to be tailored. (Abstract shortened by UMI.)

Effects of optical dopants and laser wavelength on atom probe tomography analyses of borosilicate glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lu, Xiaonan; Schreiber, Daniel K.; Neeway, James J.

Atom probe tomography (APT) is a novel analytical microscopy method that provides three dimensional elemental mapping with sub-nanometer spatial resolution and has only recently been applied to insulating glass and ceramic samples. In this paper, we have studied the influence of the optical absorption in glass samples on APT characterization by introducing different transition metal optical dopants to a model borosilicate nuclear waste glass (international simple glass). A systematic comparison is presented of the glass optical properties and the resulting APT data quality in terms of compositional accuracy and the mass spectra quality for two APT systems: one with amore » green laser (532 nm, LEAP 3000X HR) and one with a UV laser (355 nm, LEAP 4000X HR). These data were also compared to the study of a more complex borosilicate glass (SON68). The results show that the analysis data quality such as compositional accuracy and total ions collected, was clearly linked to optical absorption when using a green laser, while for the UV laser optical doping aided in improving data yield but did not have a significant effect on compositional accuracy. Comparisons of data between the LEAP systems suggest that the smaller laser spot size of the LEAP 4000X HR played a more critical role for optimum performance than the optical dopants themselves. The smaller spot size resulted in more accurate composition measurements due to a reduced background level independent of the material’s optical properties.« less

2H and 27Al solid-state NMR study of the local environments in Al-doped 2-line ferrihydrite, goethite, and lepidocrocite

DOE PAGES

Kim, Jongsik; Ilott, Andrew J.; Middlemiss, Derek S.; ...

2015-05-13

Although substitution of aluminum into iron oxides and oxyhydroxides has been extensively studied, it is difficult to obtain accurate incorporation levels. Assessing the distribution of dopants within these materials has proven especially challenging because bulk analytical techniques cannot typically determine whether dopants are substituted directly into the bulk iron oxide or oxyhydroxide phase or if they form separate, minor phase impurities. These differences have important implications for the chemistry of these iron-containing materials, which are ubiquitous in the environment. In this work, 27Al and 2H NMR experiments are performed on series of Al-substituted goethite, lepidocrocite, and 2-line ferrihydrite in ordermore » to develop an NMR method to track Al substitution. The extent of Al substitution into the structural frameworks of each compound is quantified by comparing quantitative 27Al MAS NMR results with those from elemental analysis. Magnetic measurements are performed for the goethite series to compare with NMR measurements. Static 27Al spin–echo mapping experiments are used to probe the local environments around the Al substituents, providing clear evidence that they are incorporated into the bulk iron phases. As a result, predictions of the 2H and 27Al NMR hyperfine contact shifts in Al-doped goethite and lepidocrocite, obtained from a combined first-principles and empirical magnetic scaling approach, give further insight into the distribution of the dopants within these phases.« less

SiO2 and ZnO Dopants in 3D Printed TCP Scaffolds Enhances Osteogenesis and Angiogenesis in vivo

PubMed Central

Fielding, Gary; Bose, Susmita

2013-01-01

Calcium phosphate (CaP) scaffolds with three dimensionally (3D) interconnected pores play an important role in mechanical interlocking and biological fixation in bone implant applications. CaPs alone, however, are only osteoconductive (ability to guide bone growth). Much attention has been given to the incorporation of biologics and pharmacologics to add osteoinductive (ability to cause new bone growth) properties to CaP materials. Because biologics and pharmacologics are generally delicate compounds and also subject to increased regulatory scrutiny, there is a need to investigate alternative methods to introduce osteoinductivity to CaP materials. In this study silica (SiO2) and zinc oxide (ZnO) have been incorporated in to 3D printed β-tricalcium phosphate (TCP) scaffolds to investigate their potential to trigger osteoinduction in vivo. Silicon and zinc are trace elements that are common to bone and have also been shown to have many beneficial properties from increased bone regeneration to angiogenesis. Implants were placed in bicortical femur defects introduced to a murine model for up to 16 weeks. Addition of dopants into TCP increased the capacity for new early bone formation by modulating collagen I production and osteocalcin production. Neovascularization was found to be up to three times more than the pure TCP control group. The findings from this study indicate that the combination of SiO2 and ZnO dopants in TCP may be a viable alternative to introduce osteoinductive properties to CaPs. PMID:23871941

Nonlinear optical properties of TeO2-P2 O5- ZnO-LiNbO3 glass doped with Er3+ ions

NASA Astrophysics Data System (ADS)

Miedzinski, R.; Fuks-Janczarek, I.; El Sayed Said, Y.

2016-10-01

A series of lithium niobate LiNbO3 (LN) single crystals doped with Er3+ were grown under the same conditions by melt-quenching method. The distribution coefficients of rare-earth (RE) elements in the "crystal-melt" system of LN were determined at the beginning of the crystal growth. Their dependence on the dopant concentration in melt for 0.4 and 0.8 wt % was investigated. The procedure is applied to RE-doped lithium niobate (LiNbO3), a material of great interest for optoelectronic applications. We have obtained the real χR(3) and imaginary parts χI(3) of the third-order, nonlinear optical susceptibility to the nonlinear refractive index n2 and the nonlinear absorption coefficient β that are valid for absorbing systems. We show that nonlinear refractive or absorptive effects are the consequence of the interplay between the real and imaginary parts of the third-order susceptibilities of the materials. The method for measuring non-linear absorption coefficients and nonlinear refractive index based on well-known Z-scan is presented.

Using Dopants to Tune Oxygen Vacancy Formation in Transition Metal Oxide Resistive Memory.

PubMed

Jiang, Hao; Stewart, Derek A

2017-05-17

Introducing dopants is an important way to tailor and improve electronic properties of transition metal oxides used as high-k dielectric thin films and resistance switching layers in leading memory technologies, such as dynamic and resistive random access memory (ReRAM). Ta 2 O 5 has recently received increasing interest because Ta 2 O 5 -based ReRAM demonstrates high switching speed, long endurance, and low operating voltage. However, advances in optimizing device characteristics with dopants have been hindered by limited and contradictory experiments in this field. We report on a systematic study on how various metal dopants affect oxygen vacancy formation in crystalline and amorphous Ta 2 O 5 from first principles. We find that isoelectronic dopants and weak n-type dopants have little impact on neutral vacancy formation energy and that p-type dopants can lower the formation energy significantly by introducing holes into the system. In contrast, n-type dopants have a deleterious effect and actually increase the formation energy for charged oxygen vacancies. Given the similar doping trend reported for other binary transition metal oxides, this doping trend should be universally valid for typical binary transition metal oxides. Based on this guideline, we propose that p-type dopants (Al, Hf, Zr, and Ti) can lower the forming/set voltage and improve retention properties of Ta 2 O 5 ReRAM.

Density-functional study on the dopant-segregation mechanism: Chemical potential dependence of dopant-defect complex at Si/SiO2 interface

NASA Astrophysics Data System (ADS)

Kawai, Hiroki; Nakasaki, Yasushi; Kanemura, Takahisa; Ishihara, Takamitsu

2018-04-01

Dopant segregation at Si/SiO2 interface has been a serious problem in silicon device technology. This paper reports a comprehensive density-functional study on the segregation mechanisms of boron, phosphorous, and arsenic at the Si/SiO2 interface. We found that three kinds of interfacial defects, namely, interstitial oxygen, oxygen vacancy, and silicon vacancy with two oxygen atoms, are stable in the possible chemical potential range. Thus, we consider these defects as trap sites for the dopants. For these defects, the dopant segregation energies, the electrical activities of the trapped dopants, and the kinetic energy barriers of the trapping/detrapping processes are calculated. As a result, trapping at the interstitial oxygen site is indicated to be the most plausible mechanism of the dopant segregation. The interstitial oxygen works as a major trap site since it has a high areal density at the Si/SiO2 interface due to the low formation energy.

Directed Atom-by-Atom Assembly of Dopants in Silicon.

PubMed

Hudak, Bethany M; Song, Jiaming; Sims, Hunter; Troparevsky, M Claudia; Humble, Travis S; Pantelides, Sokrates T; Snijders, Paul C; Lupini, Andrew R

2018-05-17

The ability to controllably position single atoms inside materials is key for the ultimate fabrication of devices with functionalities governed by atomic-scale properties. Single bismuth dopant atoms in silicon provide an ideal case study in view of proposals for single-dopant quantum bits. However, bismuth is the least soluble pnictogen in silicon, meaning that the dopant atoms tend to migrate out of position during sample growth. Here, we demonstrate epitaxial growth of thin silicon films doped with bismuth. We use atomic-resolution aberration-corrected imaging to view the as-grown dopant distribution and then to controllably position single dopants inside the film. Atomic-scale quantum-mechanical calculations corroborate the experimental findings. These results indicate that the scanning transmission electron microscope is of particular interest for assembling functional materials atom-by-atom because it offers both real-time monitoring and atom manipulation. We envision electron-beam manipulation of atoms inside materials as an achievable route to controllable assembly of structures of individual dopants.

Orange-red emitting Gd2Zr2O7:Sm3+: Structure-property correlation, optical properties and defect spectroscopy

NASA Astrophysics Data System (ADS)

Gupta, Santosh K.; Reghukumar, C.; Sudarshan, K.; Ghosh, P. S.; Pathak, Nimai; Kadam, R. M.

2018-05-01

Local structure analysis of dopant ion, understanding host to dopant energy transfer dynamics and defects characterization in a doped material which plays an important role in the designing a highly efficient opto-electronic material. In this connection a new Sm3+ doped Gd2Zr2O7 pyrochlore material was synthesized using gel-combustion technique and was characterized systematically using X-ray diffraction (XRD), time resolved photoluminescence spectroscopy (TRPLS), positron annihilation lifetime spectroscopy (PALS) and density functional theory (DFT) based ab-initio calculation. Based on DFT site selective energetics calculation and luminescence decay measurement, it was observed that the Sm3+ was distributed at both Gd3+ and Zr4+ site with higher Sm3+ fraction at the Gd3+ site. PALS was used to probe the presence of defects in the phosphor. In this work intense orange-red emission is realized through manipulating the energy transfer from host defect emission (oxygen vacancies) to Sm3+ which allows color emission from green in undoped to orange-red in doped samples. Effect of dopant concentration and annealing temperature was probed using TRPLS and PALS. These all information is highly important for researcher looking to achieve pyrochlore based phosphor materials with high quantum yield.

H 2 Desorption from MgH 2 Surfaces with Steps and Catalyst-Dopants

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reich, Jason M.; Wang, Lin-Lin; Johnson, Duane D.

2014-03-10

Light-metal hydrides, like MgH 2, remain under scrutiny as prototypes for reversible H-storage materials. For MgH 2, we assess hydrogen desorption/adsorption properties (enthalpy and kinetic barriers) for stepped, catalyst-doped surfaces occurring, e.g., from ball-milling in real samples. Employing density functional theory and simulated annealing in a slab model, we studied initial H 2 desorption from stepped surfaces with(out) titanium (Ti) catalytic dopant. Extensive simulated annealing studies were performed to find the dopant’s site preferences. For the most stable initial and final (possibly magnetic) states, nudged elastic band (NEB) calculations were performed to determine the H 2-desorption activation energy. We usedmore » a moment-transition NEB method to account for the dopant’s transition to the lowest-energy magnetic state at each image along the band. We identify a dopant-related surface-desorption mechanism that reloads via bulk H diffusion. While reproducing the observed bulk enthalpy of desorption, we find a decrease of 0.24 eV (a 14% reduction) in the activation energy on doped stepped surface; together with a 22% reduction on a doped flat surface, this brackets the assessed 18% reduction in kinetic barrier for ball-milled MgH 2 samples with low concentration of Ti from experiment.« less

Laser surface modification of medical grade alloys for reduced heating in a magnetic resonance imaging environment

NASA Astrophysics Data System (ADS)

Benafan, O.; Chen, S.-Y.; Kar, A.; Vaidyanathan, R.

2015-12-01

Nanoscale surface modification of medical grade metallic alloys was conducted using a neodymium-doped yttrium aluminum garnet laser-based dopant diffusion technique. The objective of this approach was to minimize the induction heating by reducing the absorbed radio frequency field. Such an approach is advantageous in that the dopant is diffused into the alloy and is not susceptible to detachment or spallation as would an externally applied coating, and is expected to not deteriorate the mechanical and electrical properties of the base alloy or device. Experiments were conducted using a controlled environment laser system with the ability to control laser properties (i.e., laser power, spot size, and irradiation time) and dopant characteristics (i.e., temperature, concentration, and pressure). The reflective and transmissive properties of both the doped and untreated samples were measured in a radio frequency (63.86 MHz) magnetic field using a system comprising a high power signal generator, a localized magnetic field source and sensor, and a signal analyzer. The results indicate an increase in the reflectivity of the laser-treated samples compared to untreated samples. The effect of reflectivity on the heating of the alloys is investigated through a mathematical model incorporating Maxwell's equations and heat conduction.

Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties.

PubMed

Shi, Wen; Zhao, Tianqi; Xi, Jinyang; Wang, Dong; Shuai, Zhigang

2015-10-14

Tuning carrier concentration via chemical doping is the most successful strategy to optimize the thermoelectric figure of merit. Nevertheless, how the dopants affect charge transport is not completely understood. Here we unravel the doping effects by explicitly including the scattering of charge carriers with dopants on thermoelectric properties of poly(3,4-ethylenedioxythiophene), PEDOT, which is a p-type thermoelectric material with the highest figure of merit reported. We corroborate that the PEDOT exhibits a distinct transition from the aromatic to quinoid-like structure of backbone, and a semiconductor-to-metal transition with an increase in the level of doping. We identify a close-to-unity charge transfer from PEDOT to the dopant, and find that the ionized impurity scattering dominates over the acoustic phonon scattering in the doped PEDOT. By incorporating both scattering mechanisms, the doped PEDOT exhibits mobility, Seebeck coefficient and power factors in very good agreement with the experimental data, and the lightly doped PEDOT exhibits thermoelectric properties superior to the heavily doped one. We reveal that the thermoelectric transport is highly anisotropic in ordered crystals, and suggest to utilize large power factors in the direction of polymer backbone and low lattice thermal conductivity in the stacking and lamellar directions, which is viable in chain-oriented amorphous nanofibers.

Room-temperature detection of mobile impurities in compound semiconductors by transient ion drift

NASA Astrophysics Data System (ADS)

Lyubomirsky, Igor; Rabinal, M. K.; Cahen, David

1997-05-01

We show that the transient ion drift (TID) method, which is based on recording junction capacitance under constant reverse bias [A. Zamouche, T. Heiser, and A. Mesli, Appl. Phys. Lett. 66, 631 (1995)], can be used not only for measurements of the diffusion coefficient of mobile impurities, but also to estimate the concentration of mobile species as part of the total dopant density. This is illustrated for CdTe, contaminated by Cu, and intentionally doped by Li or Ag and for CuInSe2. We show also that, with some restrictions, the TID method can be used if the mobile ions are major dopants. This is demonstrated using Schottky barriers on CdTe, and p-n junction devices in (Hg,Cd)Te, and CuInSe2. The values that we obtain for the diffusion coefficients (for Li, Ag, and Cu in CdTe and for Cu in CuInSe2) agree well with measured or extrapolated values, obtained by other methods, as reported in the literature. Furthermore, we could distinguish between diffusion and chemical reactions of dopants, as demonstrated for the case of Cu in CdTe and Ag-doped (Hg,Cd)Te. In the former case this allows us to separate copper-free from contaminated CdTe samples.

Rapid Thermal Annealing for Solution Synthesis of Transparent Conducting Aluminum Zinc Oxide Thin Films

NASA Astrophysics Data System (ADS)

Ullah, Sana; De Matteis, Fabio; Davoli, Ivan

2017-11-01

Transparent conducting oxide films with optimized dopant molar ratio have been prepared with limited pre- and postdeposition annealing duration of 10 min. Multiple aluminum zinc oxide (AZO) layers were spin-coated on ordinary glass substrates. The predeposition consolidation temperature and dopant molar ratio were optimized for electrical conductivity and optical transparency. Next, a group of films were deposited on Corning glass substrates from precursor solutions with the optimized dopant ratio, followed by postdeposition rapid thermal annealing (RTA) at different temperatures and in controlled environments. The lowest resistivity of 10.1 × 10-3 Ω cm was obtained for films receiving RTA at 600°C for 10 min each in vacuum then in N2-5%H2 environment, while resistivity of 20.3 × 10-3 Ω cm was obtained for films subjected to RTA directly in N2-5%H2. Optical measurements revealed average total transmittance of about 85% in the visible region. A direct allowed transition bandgap was determined based on the absorption edge with a value slightly above 3.0 eV, within the typical range for semiconductors. RTA resulted in desorption of oxygen with enhanced carrier concentration and crystallinity, which increased the carrier mobility with decreased bulk resistivity while maintaining the required optical transparency.

Magnetic properties of nitrogen-doped ZrO2: Theoretical evidence of absence of room temperature ferromagnetism

PubMed Central

Albanese, Elisa; Leccese, Mirko; Di Valentin, Cristiana; Pacchioni, Gianfranco

2016-01-01

N-dopants in bulk monoclinic ZrO2 and their magnetic interactions have been investigated by DFT calculations, using the B3LYP hybrid functional. The electronic and magnetic properties of the paramagnetic N species, substitutionals and interstitials, are discussed. Their thermodynamic stability has been estimated as a function of the oxygen partial pressure. At 300 K, N prefers interstitial sites at any range of oxygen pressure, while at higher temperatures (700–1000 K), oxygen poor-conditions facilitate substitutional dopants. We have considered the interaction of two N defects in various positions in order to investigate the possible occurrence of ferromagnetic ordering. A very small magnetic coupling constant has been calculated for several 2N-ZrO2 configurations, thus demonstrating that magnetic ordering can be achieved only at very low temperatures, well below liquid nitrogen. Furthermore, when N atoms replace O at different sites, resulting in slightly different positions of the corresponding N 2p levels, a direct charge transfer can occur between the two dopants with consequent quenching of the magnetic moment. Another mechanism that contributes to the quenching of the N magnetic moments is the interplay with oxygen vacancies. These effects contribute to reduce the concentration of magnetic impurities, thus limiting the possibility to establish magnetic ordering. PMID:27527493

Exciton-to-Dopant Energy Transfer in Mn-Doped Cesium Lead Halide Perovskite Nanocrystals.

PubMed

Parobek, David; Roman, Benjamin J; Dong, Yitong; Jin, Ho; Lee, Elbert; Sheldon, Matthew; Son, Dong Hee

2016-12-14

We report the one-pot synthesis of colloidal Mn-doped cesium lead halide (CsPbX 3 ) perovskite nanocrystals and efficient intraparticle energy transfer between the exciton and dopant ions resulting in intense sensitized Mn luminescence. Mn-doped CsPbCl 3 and CsPb(Cl/Br) 3 nanocrystals maintained the same lattice structure and crystallinity as their undoped counterparts with nearly identical lattice parameters at ∼0.2% doping concentrations and no signature of phase separation. The strong sensitized luminescence from d-d transition of Mn 2+ ions upon band-edge excitation of the CsPbX 3 host is indicative of sufficiently strong exchange coupling between the charge carriers of the host and dopant d electrons mediating the energy transfer, essential for obtaining unique properties of magnetically doped quantum dots. Highly homogeneous spectral characteristics of Mn luminescence from an ensemble of Mn-doped CsPbX 3 nanocrystals and well-defined electron paramagnetic resonance spectra of Mn 2+ in host CsPbX 3 nanocrystal lattices suggest relatively uniform doping sites, likely from substitutional doping at Pb 2+ . These observations indicate that CsPbX 3 nanocrystals, possessing many superior optical and electronic characteristics, can be utilized as a new platform for magnetically doped quantum dots expanding the range of optical, electronic, and magnetic functionality.

Group III impurities Si interstitials interaction caused by ion irradiation

NASA Astrophysics Data System (ADS)

Romano, L.; Piro, A. M.; De Bastiani, R.; Grimaldi, M. G.; Rimini, E.

2006-01-01

The off-lattice displacement of substitutional impurities (B, Ga) in Si caused by irradiation with energetic light ion beams has been investigated. Samples have been prepared by solid phase epitaxy (SPE) of pre-amorphized Si subsequently implanted with B and Ga at a concentration of about 1 × 1020 at/cm3 confined in a 300 nm thick surface region. The off-lattice displacement of the impurities was induced at room temperature (RT) by irradiation with high energy (>600 keV) light ion beams (H, He) and detected by the channelling technique along different axes, using the 11B(p,α)8Be reaction and standard RBS, for B and Ga, respectively. The normalized channelling yield χ of the impurity signal increases with the ion fluence, indicating a progressive off-lattice displacement of the dopant during irradiation, until it saturates at χF < 1 suggesting a non-random displacement of the dopant. Although the precise value of χF depends on the channelling direction and dopant species, the off-lattice displacement rate, deduced from the χ versus interstitial fluence curve, only depends on the excess of Si self-interstitials (SiI) generated by the irradiating beam through a parameter σ that can be interpreted as an effective cross-section for the impurity-SiI interaction.

Growth and characterization of red-green-blue cathodoluminescent ceramic films

NASA Astrophysics Data System (ADS)

Gozzi, Daniele; Latini, Alessandro; Salviati, Giancarlo; Armani, Nicola

2006-06-01

Gd2O3 and Y2O3 films, respectively, doped with Eu3+, Tb3+, and Tm3+ have been grown by the electron beam physical vapor codeposition technique on optically polished quartz substrates. The film samples have been doped at different concentrations by the corresponding rare-earth oxides. The concentration range explored is from 0.9% to 9.8% on 18 samples. For each film sample an extended characterization has been performed by thin film-x-ray diffraction, scanning electron microscopy, energy dispersion spectroscopy, cathodoluminescence spectroscopy, and color coordinate analysis. Y2O3 films display the most intense red-green-blue (RGB) emission and their film morphology and structure are more compact and crystalline with respect to Gd2O3 monoclinic films. Eu3+ and Tb3+ doped Y2O3 films grow oriented along the (222) direction. The ratios between the intensities of the electric dipole and magnetic dipole transitions have been also evaluated. The blue emission of Tm3+ doped Gd2O3 is lacking in the dopant concentration range from 1.6% to 7.6%, whereas it is present in Tm3+ doped Y2O3 films, at approximately the same dopant concentration range (1.9%-9.8%). Commission Internationale de l'Eclairage plot of the color coordinates of all the RGB film samples has been reported together with the RGB phosphor standard used in cathodic ray tube TV screens.

Dopant-assisted negative photoionization Ion mobility spectrometry coupled with on-line cooling inlet for real-time monitoring H2S concentration in sewer gas.

PubMed

Peng, Liying; Jiang, Dandan; Wang, Zhenxin; Hua, Lei; Li, Haiyang

2016-06-01

Malodorous hydrogen sulfide (H2S) gas often exists in the sewer system and associates with the problems of releasing the dangerous odor to the atmosphere and causing sewer pipe to be corroded. A simple method is in demand for real-time measuring H2S level in the sewer gas. In this paper, an innovated method based on dopant-assisted negative photoionization ion mobility spectrometry (DANP-IMS) with on-line semiconductor cooling inlet was put forward and successfully applied for the real-time measurement of H2S in sewer gas. The influence of moisture was effectively reduced via an on-line cooling method and a non-equilibrium dilution with drift gas. The limits of quantitation for the H2S in ≥60% relative humidity air could be obtained at ≤79.0ng L(-1) with linear ranges of 129-2064ng L(-1). The H2S concentration in a sewer manhole was successfully determined while its product ions were identified by an ion-mobility time-of-fight mass spectrometry. Finally, the correlation between sewer H2S concentration and the daily routines and habits of residents was investigated through hourly or real-time monitoring the variation of sewer H2S in manholes, indicating the power of this DANP-IMS method in assessing the H2S concentration in sewer system. Copyright © 2016 Elsevier B.V. All rights reserved.

Optimum design calculations for detectors based on ZnSe(Те,О) scintillators

NASA Astrophysics Data System (ADS)

Katrunov, K.; Ryzhikov, V.; Gavrilyuk, V.; Naydenov, S.; Lysetska, O.; Litichevskyi, V.

2013-06-01

Light collection in scintillators ZnSe(X), where X is an isovalent dopant, was studied using Monte Carlo calculations. Optimum design was determined for detectors of "scintillator—Si-photodiode" type, which can involve either one scintillation element or scintillation layers of large area made of small-crystalline grains. The calculations were carried out both for determination of the optimum scintillator shape and for design optimization of light guides, on the surface of which the layer of small-crystalline grains is formed.

Applications and results of X-ray spectroscopy in implosion experiments on the National Ignition Facility

NASA Astrophysics Data System (ADS)

Epstein, R.; Regan, S. P.; Hammel, B. A.; Suter, L. J.; Scott, H. A.; Barrios, M. A.; Bradley, D. K.; Callahan, D. A.; Cerjan, C.; Collins, G. W.; Dixit, S. N.; Döppner, T.; Edwards, M. J.; Farley, D. R.; Fournier, K. B.; Glenn, S.; Glenzer, S. H.; Golovkin, I. E.; Hamza, A.; Hicks, D. G.; Izumi, N.; Jones, O. S.; Key, M. H.; Kilkenny, J. D.; Kline, J. L.; Kyrala, G. A.; Landen, O. L.; Ma, T.; MacFarlane, J. J.; Mackinnon, A. J.; Mancini, R. C.; McCrory, R. L.; Meyerhofer, D. D.; Meezan, N. B.; Nikroo, A.; Park, H.-S.; Patel, P. K.; Ralph, J. E.; Remington, B. A.; Sangster, T. C.; Smalyuk, V. A.; Springer, P. T.; Town, R. P. J.; Tucker, J. L.

2017-03-01

Current inertial confinement fusion experiments on the National Ignition Facility (NIF) [G. H. Miller, E. I. Moses, and C. R. Wuest, Opt. Eng. 43, 2841 (2004)] are attempting to demonstrate thermonuclear ignition using x-ray drive by imploding spherical targets containing hydrogen-isotope fuel in the form of a thin cryogenic layer surrounding a central volume of fuel vapor [J. Lindl, Phys. Plasmas 2, 3933 (1995)]. The fuel is contained within a plastic ablator layer with small concentrations of one or more mid-Z elements, e.g., Ge or Cu. The capsule implodes, driven by intense x-ray emission from the inner surface of a hohlraum enclosure irradiated by the NIF laser, and fusion reactions occur in the central hot spot near the time of peak compression. Ignition will occur if the hot spot within the compressed fuel layer attains a high-enough areal density to retain enough of the reaction product energy to reach nuclear reaction temperatures within the inertial hydrodynamic disassembly time of the fuel mass [J. Lindl, Phys. Plasmas 2, 3933 (1995)]. The primary purpose of the ablator dopants is to shield the ablator surface adjacent to the DT ice from heating by the hohlraum x-ray drive [S. W. Haan et al., Phys. Plasmas 18, 051001 (2011)]. Simulations predicted that these dopants would produce characteristic K-shell emission if ablator material mixed into the hot spot [B. A. Hammel et al., High Energy Density Phys. 6, 171 (2010)]. In NIF ignition experiments, emission and absorption features from these dopants appear in x-ray spectra measured with the hot-spot x-ray spectrometer in Supersnout II [S. P. Regan et al., "Hot-Spot X-Ray Spectrometer for the National Ignition Facility," to be submitted to Review of Scientific Instruments]. These include K-shell emission lines from the hot spot (driven primarily by inner-shell collisional ionization and dielectronic recombination) and photoionization edges, fluorescence, and absorption lines caused by the absorption of the hot-spot continuum in the shell. These features provide diagnostics of the central hot spot and the compressed shell, plus a measure of the shell mass that has mixed into the hot spot [S. P. Regan et al., Phys. Plasmas 19, 056307 (2012)] and evidence locating the origin of the mixed shell mass in the imploding ablator [S. P. Regan et al., Phys. Rev. Lett. 111, 045001 (2013)]. Spectra are analyzed and interpreted using detailed atomic models (including radiation-transport effects) to determine the characteristic temperatures, densities, and sizes of the emitting regions. A mix diagnostic based on enhanced continuum x-ray production, relative to neutron yield, provides sensitivity to the undoped shell material mixed into the hot spot [T. Ma et al., Phys. Rev. Lett., 111, 085004 (2013)]. Together, these mix-mass measurements confirm that mix is a serious impediment to ignition. The spectroscopy and atomic physics of shell dopants have become essential in confronting this impediment and will be described.

Stabilized thallium bromide radiation detectors and methods of making the same

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leao, Cedric Rocha; Lordi, Vincenzo

According to one embodiment, a crystal includes thallium bromide (TlBr), one or more positively charged dopants, and one or more negatively charged dopants. According to another embodiment, a system includes a monolithic crystal including thallium bromide (TlBr), one or more positively charged dopants, and one or more negatively charged dopants; and a detector configured to detect a signal response of the crystal.

The use of isoprene as a novel dopant in negative ion atmospheric pressure photoionization mass spectrometry coupled to high-performance liquid chromatography.

PubMed

Dousty, Faezeh; O'Brien, Rob

2015-06-15

As in the case with positive ion atmospheric pressure photoionization (PI-APPI), the addition of dopants significantly improves the sensitivity of negative ion APPI (NI-APPI). However, the research on dopant-assisted-NI-APPI has been quite limited compared to the studies on dopant-assisted PI-APPI. This work presents the potential of isoprene as a novel dopant for NI-APPI. Thirteen compounds, possessing suitable gas-phase ion energetic properties in order to make stable negative ions, were selected. Dopants were continuously introduced into a tee junction prior to the ion source through a fused-silica capillary, while analytes were directly injected into the same tee. Then both were mixed with the continuous solvent from high-performance liquid chromatography (HPLC), nebulized, and entered the source. The nebulized stream was analyzed by APPI tandem quadrupole mass spectrometry in the negative ion mode. The results obtained using isoprene were compared with those obtained by using toluene as a dopant and dopant-free NI-APPI. Isoprene enhanced the ionization intensities of the studied compounds, which were found to be comparable and, in some cases, more effective than toluene. The mechanisms leading to the observed set of negative analyte ions were also discussed. Because in NI-APPI, thermal electrons, which are produced during the photoionization of a dopant, are considered the main reagent ions, both isoprene and toluene promoted the ionization of analytes through the same mechanisms, as expected. Isoprene was shown to perform well as a novel dopant for NI-APPI. Isoprene has a high photoabsorption cross section in the VUV region; therefore, its photoionization leads to a highly effective production of thermal electrons, which further promotes the ionization of analytes. In addition, isoprene is environmentally benign and less toxic compared to currently used dopants. Copyright © 2015 John Wiley & Sons, Ltd.

Computational study of sodium magnesium hydride for hydrogen storage applications

NASA Astrophysics Data System (ADS)

Soto Valle, Fernando Antonio

Hydrogen offers considerable potential benefits as an energy carrier. However, safe and convenient storage of hydrogen is one of the biggest challenges to be resolved in the near future. Sodium magnesium hydride (NaMgH 3) has attracted attention as a hydrogen storage material due to its light weight and high volumetric hydrogen density of 88 kg/m3. Despite the advantages, hydrogen release in this material occurs at approximately 670 K, which is well above the operable range for on-board hydrogen storage applications. In this regard, hydrogen release may be facilitated by substitution doping of transition-metals. This dissertation describes first-principles computational methods that enable an examination of the hydrogen storage properties of NaMgH3. The novel contribution of this dissertation includes a combination of crystal, supercell, and surface slab calculations that provides new and relevant insights about the thermodynamic and kinetic properties of NaMgH3. First-principles calculations on the pristine crystal structure provide a starting reference point for the study of this material as a hydrogen storage material. To the best of our knowledge, it is reported for the first time that a 25% mol doping concentration of Ti, V, Cu, and Zn dopants reduce the reaction enthalpy of hydrogen release for NaMgH3. The largest decrease in the DeltaH(298 K) value corresponds to the Zn-doped model (67.97 kJ/(mol H2)). Based on cohesive energy calculations, it is reported that at the 6.25% mol doping concentration, Ti and Zn dopants are the only transition metals that destabilize the NaMgH3 hydride. In terms of hydrogen removal energy, it is quantified that the energy cost to remove a single H from the Ti-doped supercell model is 0.76 eV, which is lower with respect to the pristine model and other prototypical hydrogen storage materials. From the calculation of electronic properties such as density of states, electron density difference, and charge population analysis schemes it is shown that the effectiveness of these two dopants is due to the modified chemical bonding induce by the overlap of d orbitals. For the surface slab calculations, a key finding is that the preferred layer for the simultaneous substitution of Ti and Zn dopants at two different Na sites is the outermost layer with substitution energy values of -5.27 eV and -5.24 eV, respectively. The kinetic barrier for hydrogen desorption from the (001) surface is studied using DFT calculations, LST/QST, and NEB methods. We find that for the pristine model, the direct recombination of a H 2 molecule has a kinetic barrier of 1.16 eV. More importantly, we find that the calculated kinetic barrier of H2 desorption when the (001) surface is co-doped with Ti and Zn is 0.42 eV. These results show that the combined use of a Ti dopant and a Zn dopant is the best mix for reducing the energy barrier to release hydrogen from the (001) NaMgH3 surface.

Semiconductor Lasers Containing Quantum Wells in Junctions

NASA Technical Reports Server (NTRS)

Yang, Rui Q.; Qiu, Yueming

2004-01-01

In a recent improvement upon In(x)Ga(1-x)As/InP semiconductor lasers of the bipolar cascade type, quantum wells are added to Esaki tunnel junctions, which are standard parts of such lasers. The energy depths and the geometric locations and thicknesses of the wells are tailored to exploit quantum tunneling such that, as described below, electrical resistances of junctions and concentrations of dopants can be reduced while laser performances can be improved. In(x)Ga(1-x)As/InP bipolar cascade lasers have been investigated as sources of near-infrared radiation (specifically, at wavelengths of about 980 and 1,550 nm) for photonic communication systems. The Esaki tunnel junctions in these lasers have been used to connect adjacent cascade stages and to enable transport of charge carriers between them. Typically, large concentrations of both n (electron-donor) and p (electron-acceptor) dopants have been necessary to impart low electrical resistances to Esaki tunnel junctions. Unfortunately, high doping contributes free-carrier absorption, thereby contributing to optical loss and thereby, further, degrading laser performance. In accordance with the present innovation, quantum wells are incorporated into the Esaki tunnel junctions so that the effective heights of barriers to quantum tunneling are reduced (see figure).

Transition metal doping of GaSe implemented with low temperature liquid phase growth

NASA Astrophysics Data System (ADS)

Lei, Nuo; Sato, Youhei; Tanabe, Tadao; Maeda, Kensaku; Oyama, Yutaka

2017-02-01

Our group works on improving the conversion efficiencies of terahertz (THz) wave generation using GaSe crystals. The operating principle is based on difference frequency generation (DFG) which has the advantages such as high output power, a single tunable frequency, and room temperature operation. In this study, GaSe crystals were grown by the temperature difference method under controlled vapor pressure (TDM-CVP). It is a liquid phase growth method with temperature 300 °C lower than that of the Bridgman method. Using this method, the point defects concentration is decreased and the polytype can be controlled. The transition metal Ti was used to dope the GaSe in order to suppress free carrier absorption in the low frequency THz region. As a result, a deep acceptor level of 38 meV was confirmed as being formed in GaSe with 1.4 at% Ti doping. Compared with undoped GaSe, a decrease in carrier concentration ( 1014 cm-3) at room temperature was also confirmed. THz wave transmittance measurements reveal the tendency for the absorption coefficient to increase as the amount of dopant is increased. It is expected that there is an optimum amount of dopant.

Utilization of native oxygen in Eu(RE)-doped GaN for enabling device compatibility in optoelectronic applications

DOE PAGES

Mitchell, Brandon; Timmerman, D.; Poplawsky, Jonathan D.; ...

2016-01-04

The detrimental influence of oxygen on the performance and reliability of V/III nitride based devices is well known. However, the influence of oxygen on the nature of the incorporation of other co-dopants, such as rare earth ions, has been largely overlooked in GaN. Here, we report the first comprehensive study of the critical role that oxygen has on Eu in GaN, as well as atomic scale observation of diffusion and local concentration of both atoms in the crystal lattice. We find that oxygen plays an integral role in the location, stability, and local defect structure around the Eu ions thatmore » were doped into the GaN host. Although the availability of oxygen is essential for these properties, it renders the material incompatible with GaN-based devices. However, the utilization of the normally occurring oxygen in GaN is promoted through structural manipulation, reducing its concentration by 2 orders of magnitude, while maintaining both the material quality and the favorable optical properties of the Eu ions. Furthermore, these findings open the way for full integration of RE dopants for optoelectronic functionalities in the existing GaN platform.« less

Virus detection and quantification using electrical parameters

NASA Astrophysics Data System (ADS)

Ahmad, Mahmoud Al; Mustafa, Farah; Ali, Lizna M.; Rizvi, Tahir A.

2014-10-01

Here we identify and quantitate two similar viruses, human and feline immunodeficiency viruses (HIV and FIV), suspended in a liquid medium without labeling, using a semiconductor technique. The virus count was estimated by calculating the impurities inside a defined volume by observing the change in electrical parameters. Empirically, the virus count was similar to the absolute value of the ratio of the change of the virus suspension dopant concentration relative to the mock dopant over the change in virus suspension Debye volume relative to mock Debye volume. The virus type was identified by constructing a concentration-mobility relationship which is unique for each kind of virus, allowing for a fast (within minutes) and label-free virus quantification and identification. For validation, the HIV and FIV virus preparations were further quantified by a biochemical technique and the results obtained by both approaches corroborated well. We further demonstrate that the electrical technique could be applied to accurately measure and characterize silica nanoparticles that resemble the virus particles in size. Based on these results, we anticipate our present approach to be a starting point towards establishing the foundation for label-free electrical-based identification and quantification of an unlimited number of viruses and other nano-sized particles.

Graphene/Si solar cells employing triethylenetetramine dopant and polymethylmethacrylate antireflection layer

NASA Astrophysics Data System (ADS)

Shin, Dong Hee; Jang, Chan Wook; Lee, Ha Seung; Seo, Sang Woo; Kim, Sung; Choi, Suk-Ho

2018-03-01

We report the use of triethylenetetramine (TETA) as a dopant of graphene transparent conducting electrodes (TCEs) for Si heterojunction solar cells. The molar concentration (nD) of TETA is varied from 0.05 to 0.3 mM to optimize the graphene TCEs. The TETA-doped graphene/Si Schottky solar cells show a maximum power-conversion efficiency (PCE) of 4.32% at nD = 0.2 mM, resulting from the enhanced electrical and optical properties, as proved from the nD-dependent behaviors of sheet resistance, transmittance, reflectance, series resistance, and external quantum efficiency. In addition, polymethylmethacrylate is employed as an antireflection layer to enhance the light-trapping effect on graphene/Si solar cells, resulting in further enhancement of the maximum PCE from 4.32 to 5.48%. The loss of the PCE is only within 2% of its original value during 10 days in air.

Impact of random discrete dopant in extension induced fluctuation in gate-source/drain underlap FinFET

NASA Astrophysics Data System (ADS)

Wang, Yijiao; Huang, Peng; Xin, Zheng; Zeng, Lang; Liu, Xiaoyan; Du, Gang; Kang, Jinfeng

2014-01-01

In this work, three dimensional technology computer-aided design (TCAD) simulations are performed to investigate the impact of random discrete dopant (RDD) including extension induced fluctuation in 14 nm silicon-on-insulator (SOI) gate-source/drain (G-S/D) underlap fin field effect transistor (FinFET). To fully understand the RDD impact in extension, RDD effect is evaluated in channel and extension separately and together. The statistical variability of FinFET performance parameters including threshold voltage (Vth), subthreshold slope (SS), drain induced barrier lowering (DIBL), drive current (Ion), and leakage current (Ioff) are analyzed. The results indicate that RDD in extension can lead to substantial variability, especially for SS, DIBL, and Ion and should be taken into account together with that in channel to get an accurate estimation on RDF. Meanwhile, higher doping concentration of extension region is suggested from the perspective of overall variability control.

Doping of polysiloxane rubbers for the production of organic scintillators

NASA Astrophysics Data System (ADS)

Quaranta, A.; Carturan, S.; Marchi, T.; Cinausero, M.; Scian, C.; Kravchuk, V. L.; Degerlier, M.; Gramegna, F.; Poggi, M.; Maggioni, G.

2010-08-01

Polysiloxane rubbers have been produced with different concentrations of phenyl groups and of dye molecules in order to find the best synthesis conditions for reaching a high light yield. In particular, two different polymer compositions were examined, namely with 15% and 22% of phenyl units in the starting resin. 2,5-Diphenyl oxazole (PPO) as a primary dopant and Lumogen F Violet 570 as secondary dopant were dispersed in the polysiloxane. Ion beam induced luminescence (IBIL) technique was employed for studying radioluminescence and radiation hardness properties. The α and γ scintillation yields were analyzed by measuring the pulse height spectra from 241Am and 60Co radioactive sources. First tests on the suitability of these materials to the detection of fast neutrons were also performed with a TOF procedure. Preliminary results indicate that these materials exhibit a scintillation yield comparable with NE102 plastic scintillator.

Stark shift of impurity doped quantum dots: Role of noise

NASA Astrophysics Data System (ADS)

Arif, Sk. Md.; Bera, Aindrila; Ghosh, Anuja; Ghosh, Manas

2018-02-01

Present study makes a punctilious investigation of the profiles of Stark shift (SS) of doped GaAs quantum dot (QD) under the supervision of Gaussian white noise. A few physical parameters have been varied and the consequent variations in the SS profiles have been monitored. The said physical parameters comprise of magnetic field, confinement potential, dopant location, dopant potential, noise strength, aluminium concentration (only for AlxGa1-x As alloy QD), position-dependent effective mass (PDEM), position-dependent dielectric screening function (PDDSF), anisotropy, hydrostatic pressure (HP) and temperature. The SS profiles unfurl interesting features that heavily depend upon the particular physical quantity concerned, presence/absence of noise and the manner (additive/multiplicative) noise enters the system. The study highlights feasible means of maximizing SS of doped QD in presence of noise by suitable adjustment of several control parameters. The study deems importance in view of technological applications of QD devices where noise plays some prominent role.

Enhanced visible light activity of nano-titanium dioxide doped with multiple ions: Effect of crystal defects

NASA Astrophysics Data System (ADS)

Jaimy, Kanakkanmavudi B.; Ghosh, Swapankumar; Gopakumar Warrier, Krishna

2012-12-01

Titanium dioxide photocatalysts co-doped with iron(III) and lanthanum(III) have been prepared through a modified sol-gel method. Doping with Fe3+ resulted in a relatively lower anatase to rutile phase transformation temperature, while La3+ addition reduced the crystal growth and thus retarded the phase transformation of titania nanoparticles. The presence of Fe3+ ions shifted the absorption profile of titania to the longer wavelength side of the spectrum and enhanced the visible light activity. On the other hand, La3+ addition improved the optical absorption of titania nanoparticles. Both the dopants improved the life time of excitons by proper transferring and trapping of photoexcited charges. In the present work, considerable enhancement in photocatalytic activity under visible light was achieved through synergistic effect of optimum concentrations of the two dopants and associated crystal defects.

Defects in codoped NiO with gigantic dielectric response

NASA Astrophysics Data System (ADS)

Wu, Ping; Ligatchev, Valeri; Yu, Zhi Gen; Zheng, Jianwei; Sullivan, Michael B.; Zeng, Yingzhi

2009-06-01

We combine first-principles, statistical, and phenomenological methods to investigate the electronic and dielectric properties of NiO and clarify the nature of the gigantic dielectric response in codoped NiO. Unlike previous models which are dependent on grain-boundary effects, our model based on small polaron hopping in homogeneous material predicts the dielectric permittivity (104-5) for heavily Li- and MD -codoped NiO (MD=Ti,Al,Si) . Furthermore, we reproduce the experimental trends in dielectric properties as a function of the dopants nature and their concentrations, as well as the reported activation energies for the relaxation in Li- and Ti-codoped NiO (0.308 eV or 0.153 eV depending on the Fermi-level position). In this study, we demonstrate that small polaron hopping on dopant levels is the dominant mechanism for the gigantic dielectric response in these codoped NiO.

Diode-pumped high power 2.7 μm Er:Y2O3 ceramic laser at room temperature

NASA Astrophysics Data System (ADS)

Wang, Li; Huang, Haitao; Shen, Deyuan; Zhang, Jian; Chen, Hao; Tang, Dingyuan

2017-09-01

Investigation of room temperature laser performance of the polycrystalline Er:Y2O3 ceramic at 2.7 μm with respect to dopant concentrations was conducted. With 7 at.% Er3+ concentration Er:Y2O3 ceramic as laser gain medium, over 2.05 W of CW output power at 2.7 μm was generated with a slope efficiency of 11.1% with respect to the absorbed LD pump power. The prospects for improvement in lasing efficiency and output power are considered.

Low-temperature thermal decomposition of heavy petroleum distillates: interconnection between the electrical properties and concentration of paramagnetic centres

NASA Astrophysics Data System (ADS)

Dolomatov, M.; Gafurov, M.; Rodionov, A.; Mamin, G.; González, L. Miquel; Vakhin, A.; Petrov, A.; Bakhtizin, R.; Khairudinov, I.; Orlinskii, S.

2018-05-01

Changes of paramagnetic centers (PC) concentration in petroleum dispersed systems (PDS) are studied in the process of low-temperature thermolysis. Complex investigation of physicochemical, rheological and electrophysical properties of high-boiling oil fractions is performed. Based on the analysis of the experimental results it can be concluded that the PDS under investigation can be regarded as amorphous broadband organic semiconductors for which PC plays a role of dopant. It shows the perspectives of the asphaltenes usage as a basis for the photovoltaic devices.

Stochastic analysis of experimentally determined physical parameters of HPMC:NiCl{sub 2} polymer composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thejas, Urs G.; Somashekar, R., E-mail: rs@physics.uni-mysore.ac.in; Sangappa, Y.

A stochastic approach to explain the variation of physical parameters in polymer composites is discussed in this study. We have given a statistical model to derive the characteristic variation of physical parameters as a function of dopant concentration. Results of X-ray diffraction study and conductivity have been taken to validate this function, which can be extended to any of the physical parameters and polymer composites. For this study we have considered a polymer composites of HPMC doped with various concentrations of Nickel Chloride.

Contribution of the graded region of a HgCdTe diode to its saturation current

NASA Technical Reports Server (NTRS)

Schacham, S. E.; Finkman, E.

1990-01-01

Experimental results show that the contribution of the graded region to the current of Hg(1-x)Cd(x)Te diodes is not negligible, as compared to that of the p type bulk. The theoretical analysis reveals the influence of the electric field present outside the depletion region on the current generated by the graded region. The analysis shows the importance of the lifetime profile in the graded region, which is a function of the specific recombination mechanism and its dependence on the local dopant concentration. The effect of parameters such as substrate concentration, surface concentration, and junction depth on this current is discussed.

Electron-donor dopant, method of improving conductivity of polymers by doping therewith, and a polymer so treated

DOEpatents

Liepins, R.; Aldissi, M.

1984-07-27

Polymers with conjugated backbones, both polyacetylene and polyaromatic heterocyclic types, are doped with electron-donor agents to increase their electrical conductivity. The electron-donor agents are either electride dopants made in the presence of lithium or dopants derived from alkalides made in the presence of lithium. The dopants also contain a metal such as cesium and a trapping agent such as a crown ether.

Electron-donor dopant, method of improving conductivity of polymers by doping therewith, and a polymer so treated

DOEpatents

Liepins, Raimond; Aldissi, Mahmoud

1988-01-01

Polymers with conjugated backbones, both polyacetylene and polyaromatic heterocyclic types, are doped with electron-donor agents to increase their electrical conductivity. The electron-donor agents are either electride dopants made in the presence of lithium or dopants derived from alkalides made in the presence of lithium. The dopants also contain a metal such as cesium and a trapping agent such as a crown ether.

Limits on passivating defects in semiconductors: the case of Si edge dislocations.

PubMed

Chan, Tzu-Liang; West, D; Zhang, S B

2011-07-15

By minimizing the free energy while constraining dopant density, we derive a universal curve that relates the formation energy (E(form)) of doping and the efficiency of defect passivation in terms of segregation of dopants at defect sites. The universal curve takes the simple form of a Fermi-Dirac distribution. Our imposed constraint defines a chemical potential that assumes the role of "Fermi energy," which sets the thermodynamic limit on the E(form) required to overcome the effect of entropy such that dopant segregation at defects in semiconductors can occur. Using Si edge dislocation as an example, we show by first-principles calculations how to map the experimentally measurable passivation efficiency to our calculated E(form) by using the universal curve for typical n- and p-type substitutional dopants. We show that n-type dopants are ineffective. Among p-type dopants, B can satisfy the thermodynamic limit while improving electronic properties.

Investigation of silicide-induced-dopant-activation for steep tunnel junction in tunnel field effect transistor (TFET)

NASA Astrophysics Data System (ADS)

Kim, Sihyun; Kwon, Dae Woong; Park, Euyhwan; Lee, Junil; Lee, Roongbin; Lee, Jong-Ho; Park, Byung-Gook

2018-02-01

Numerous researches for making steep tunnel junction within tunnel field-effect transistor (TFET) have been conducted. One of the ways to make an abrupt junction is source/drain silicidation, which uses the phenomenon often called silicide-induced-dopant-segregation. It is revealed that the silicide process not only helps dopants to pile up adjacent to the metal-silicon alloy, also induces the dopant activation, thereby making it possible to avoid additional high temperature process. In this report, the availability of dopant activation induced by metal silicide process was thoroughly investigated by diode measurement and device simulation. Metal-silicon (MS) diodes having p+ and n+ silicon formed on the p- substrate exhibit the characteristics of ohmic and pn diodes respectively, for both the samples with and without high temperature annealing. The device simulation for TFETs with dopant-segregated source was also conducted, which verified enhanced DC performance.

Capacitance reduction for pillar structured devices

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shao, Qinghui; Conway, Adam; Nikolic, Rebecca J.

2017-05-09

In one embodiment, an apparatus includes: a first layer including a n+ dopant or p+ dopant; an intrinsic layer formed above the first layer, the intrinsic layer including a planar portion and pillars extending above the planar portion, cavity regions being defined between the pillars; and a second layer deposited on a periphery of the pillars thereby forming coated pillars, the second layer being substantially absent on the planar portion of the intrinsic layer between the coated pillars. The second layer includes an n+ dopant when the first layer includes a p+ dopant. The second layer includes a p+ dopantmore » when the first layer includes an n+ dopant. The apparatus includes a neutron sensitive material deposited between the coated pillars and above the planar portion of the intrinsic layer. In additional embodiments, an upper portion of each of the pillars includes a same type of dopant as the second layer.« less

Comparison of Boron diffused emitters from BN, BSoD and H3BO3 dopants

NASA Astrophysics Data System (ADS)

Singha, Bandana; Singh Solanki, Chetan

2016-12-01

In this work, we are comparing different limited boron dopant sources for the emitter formation in n-type c-Si solar cells. High purity boric acid solution, commercially available boron spin on dopant and boron nitride solid source are used for comparison of emitter doping profiles for the same time and temperature conditions of diffusion. The characterizations done for the similar sheet resistance values for all the dopant sources show different surface morphologies and different device parameters. The measured emitter saturation current densities (Joe) are more than 20 fA cm-2 for all the dopant sources. The bulk carrier lifetimes measured for different diffusion conditions and different solar cell parameters for the similar sheet resistance values show the best result for boric acid diffusion and the least for BN solid source. So, different dopant sources result in different emitter and cell performances.

In situ biasing and off-axis electron holography of a ZnO nanowire

NASA Astrophysics Data System (ADS)

den Hertog, Martien; Donatini, Fabrice; McLeod, Robert; Monroy, Eva; Sartel, Corinne; Sallet, Vincent; Pernot, Julien

2018-01-01

Quantitative characterization of electrically active dopants and surface charges in nano-objects is challenging, since most characterization techniques using electrons [1-3], ions [4] or field ionization effects [5-7] study the chemical presence of dopants, which are not necessarily electrically active. We perform cathodoluminescence and voltage contrast experiments on a contacted and biased ZnO nanowire with a Schottky contact and measure the depletion length as a function of reverse bias. We compare these results with state-of-the-art off-axis electron holography in combination with electrical in situ biasing on the same nanowire. The extension of the depletion length under bias observed in scanning electron microscopy based techniques is unusual as it follows a linear rather than square root dependence, and is therefore difficult to model by bulk equations or finite element simulations. In contrast, the analysis of the axial depletion length observed by holography may be compared with three-dimensional simulations, which allows estimating an n-doping level of 1 × 1018 cm-3 and negative sidewall surface charge of 2.5 × 1012 cm-2 of the nanowire, resulting in a radial surface depletion to a depth of 36 nm. We found excellent agreement between the simulated diameter of the undepleted core and the active thickness observed in the experimental data. By combining TEM holography experiments and finite element simulation of the NW electrostatics, the bulk-like character of the nanowire core is revealed.

Synergetic Effect of Dy2O3 and Ca Co-Dopants towards Enhanced Coercivity of Rare Earth Abundant RE-Fe-B Magnets.

PubMed

Li, Yingfei; Tian, Na; Fan, Xiaodong; You, Caiyin; Pei, Wenli; Cheng, Zhenxiang

2017-12-13

Low coercivity is the main disadvantage of RE-Fe-B permanent magnets containing highly abundant rare earths (RE: La, Ce) from the application point of view, even though they exhibit many cost and resource advantages. In this work, an industrial mixed rare earth alloy (RE 100  = La 30.6 Ce 50.2 Pr 6.4 Nd 12.8 ) with a high amount of the more abundant elements was adopted to fabricate RE-Fe-B permanent magnets by means of mechanical alloying accompanied by post-annealing. A synergetic effect towards enhancing the coercivity was observed after co-doping with Dy 2 O 3 and Ca, with the coercivity increasing from 2.44 kOe to 11.43 kOe for co-dopant percentages of 7 wt.% Dy 2 O 3  + 2.3 wt.% Ca. Through analysis of the phase constituents and microstructure, it was determined that part of the Dy atoms entered the matrix of RE 2 Fe 14 B phase to enhance the magnetocrystalline anisotropy; due to the reductive effect of Ca on Dy 2 O 3 , nanocrystals of Dy-rich RE 2 Fe 14 B were present throughout the matrix, which could increase the resistance to domain wall movement. These are the dominant factors behind the improvement of the coercivity of the RE-Fe-B magnets with highly abundant RE elements.

Facile one-pot synthesis of hexagons of NaSrB5O9:Tb3+ phosphor for solid-state lighting

NASA Astrophysics Data System (ADS)

Ramesh, B.; Dillip, G. R.; Deva Prasad Raju, B.; Somasundaram, K.; Prasad Peddi, Siva; de Carvalho dos Anjos, Virgilio; Joo, S. W.

2017-04-01

NaSrB5O9:Tb3+ hexagons were synthesized by a facile solid-state reaction method. The synthesized powders were structurally examined by x-ray diffraction analysis (XRD), and Rietveld refinement was performed using the XRD data and Fullprof software. Hexagon-like morphology was observed using field emission scanning electron microscopy (FESEM) and transmission electron microscopy (TEM). The elemental composition of the phosphors was investigated qualitatively by energy dispersive x-ray analysis (EDS) and quantitatively by x-ray photoelectron spectroscopy (XPS). The phosphor has a strong green emission at 545 nm under excitation of 379 nm, which is due to the 5{{\\text{D}}4}{{\\to}7}{{\\text{F}}5} transition of the Tb3+ ion. A lifetime of 3.48 ms was obtained for the phosphor. The important parameters of the light source were determined, such as the thermal quenching, critical distance, the nature of the dopant ion interaction, color coordinates, and quantum yield values. Other reported properties include the site occupancy of the dopant, surface properties, morphological properties, and optical properties.

Dopant-induced ignition of helium nanoplasmas—a mechanistic study

NASA Astrophysics Data System (ADS)

Heidenreich, Andreas; Schomas, Dominik; Mudrich, Marcel

2017-12-01

Helium (He) nanodroplets irradiated by intense near-infrared laser pulses form a nanoplasma by avalanche-like electron impact ionizations (EIIs) even at lower laser intensities where He is not directly field ionized, provided that the droplets contain a few dopant atoms which provide seed electrons for the EII avalanche. In this theoretical paper on calcium and xenon doped He droplets we elucidate the mechanism which induces ionization avalanches, termed ignition. We find that the partial loss of seed electrons from the activated droplets starkly assists ignition, as the Coulomb barrier for ionization of helium is lowered by the electric field of the dopant cations, and this deshielding of the cation charges enhances their electric field. In addition, the dopant ions assist the acceleration of the seed electrons (slingshot effect) by the laser field, supporting EIIs of He and also causing electron loss by catapulting electrons away. The dopants’ ability to lower the Coulomb barriers at He as well as the slingshot effect decrease with the spatial expansion of the dopant, causing a dependence of the dopants’ ignition capability on the dopant mass. Here, we develop criteria (impact count functions) to assess the ignition capability of dopants, based on (i) the spatial overlap of the seed electron cloud with the He atoms and (ii) the overlap of their kinetic energy distribution with the distribution of Coulomb barrier heights at He. The relatively long time delays between the instants of dopant ionization and ignition (incubation times) for calcium doped droplets are determined to a large extent by the time it takes to deshield the dopant ions.

Robust determination of effective atomic numbers for electron interactions with TLD-100 and TLD-100H thermoluminescent dosimeters

NASA Astrophysics Data System (ADS)

Taylor, M. L.

2011-04-01

Lithium fluoride thermoluminescent dosimeters (TLD) are the most commonly implemented for clinical dosimetry. The small physical magnitude of TLDs makes them attractive for applications such as small field measurement, in vivo dosimetry and measurement of out-of-field doses to critical structures. The most broadly used TLD is TLD-100 (LiF:Mg,Ti) and, for applications requiring higher sensitivity to low-doses, TLD-100H (LiF:Mg,Cu,P) is frequently employed. The radiological properties of these TLDs are therefore of significant interest. For the first time, in this study effective atomic numbers for radiative, collisional and total electron interaction processes are calculated for TLD-100 and TLD-100H dosimeters over the energy range 1 keV-100 MeV. This is undertaken using a robust, energy-dependent method of calculation rather than typical power-law approximations. The influence of dopant concentrations and unwanted impurities is also investigated. The two TLDs exhibit similar effective atomic numbers, ranging from approximately 5.77-6.51. Differences arising from the different dopants are most pronounced in low-energy radiative effects. The TLDs have atomic numbers approximately 1.48-2.06 times that of water. The effective atomic number of TLD-100H is consistently higher than that of TLD-100 over a broad energy range, due to the greater influence of the higher- Z dopants on the electron interaction cross sections. Typical variation in dopant concentration does not significantly influence the effective atomic number. The influence on TLD-100H is comparatively more pronounced than that on TLD-100. Contrariwise, unwanted hydroxide impurities influence TLD-100 more than TLD-100H. The effective atomic number is a key parameter that influences the radiological properties and energy response of TLDs. Although many properties of these TLDs have been studied rigorously, as yet there has been no investigation of their effective atomic numbers for electron interactions. The discrepancy between the effective atomic numbers of the TLDs and water is significantly higher than would be indicated by comparing effective atomic numbers calculated via the common - but dubious - power-law method. The mean effective numbers over the full energy range are 6.06, 6.09, 3.34 and 3.37 for TLD-100, TLD-100H, soft tissue and water respectively.

Three-dimensional atomic arrangement around active/inactive dopant sites in boron-doped diamond

NASA Astrophysics Data System (ADS)

Kato, Yukako; Tsujikawa, Daichi; Hashimoto, Yusuke; Yoshida, Taisuke; Fukami, Shun; Matsuda, Hiroyuki; Taguchi, Munetaka; Matsushita, Tomohiro; Daimon, Hiroshi

2018-06-01

Boron-doped diamond has received significant attention as an advanced material for power devices owing to its high breakdown characteristics. To control the characteristics of diamond related to band conduction, it is essential to determine the atomic structure around dopants and to develop a method of controlling the atomic arrangement around dopants. We measured the photoelectron diffraction of a boron-doped diamond using a display-type ellipsoidal mesh analyzer to examine the dopant sites in heavily boron-doped diamond. The B 1s photoelectron spectrum shows two peaks for different chemical bonding sites. These two dopant sites were identified as the substitutional and interstitial sites in diamond.

Random Dopant Induced Threshold Voltage Lowering and Fluctuations in Sub-0.1 (micron)meter MOSFET's: A 3-D 'Atomistic' Simulation Study

NASA Technical Reports Server (NTRS)

Asenov, Asen

1998-01-01

A three-dimensional (3-D) "atomistic" simulation study of random dopant induced threshold voltage lowering and fluctuations in sub-0.1 microns MOSFET's is presented. For the first time a systematic analysis of random dopant effects down to an individual dopant level was carried out in 3-D on a scale sufficient to provide quantitative statistical predictions. Efficient algorithms based on a single multigrid solution of the Poisson equation followed by the solution of a simplified current continuity equation are used in the simulations. The effects of various MOSFET design parameters, including the channel length and width, oxide thickness and channel doping, on the threshold voltage lowering and fluctuations are studied using typical samples of 200 atomistically different MOSFET's. The atomistic results for the threshold voltage fluctuations were compared with two analytical models based on dopant number fluctuations. Although the analytical models predict the general trends in the threshold voltage fluctuations, they fail to describe quantitatively the magnitude of the fluctuations. The distribution of the atomistically calculated threshold voltage and its correlation with the number of dopants in the channel of the MOSFET's was analyzed based on a sample of 2500 microscopically different devices. The detailed analysis shows that the threshold voltage fluctuations are determined not only by the fluctuation in the dopant number, but also in the dopant position.

INTERNATIONAL CONFERENCE ON SEMICONDUCTOR INJECTION LASERS SELCO-87: Dependence of the photoluminescence density on surface preparation and properties of n-type InP

NASA Astrophysics Data System (ADS)

Knauer, A.; Gramlich, S.; Staske, R.

1988-11-01

Comprehensive studies were made of the relationship between the photoluminescence intensity and the effective carrier lifetime, on the one hand, and the quality of the surface treatment of wafers (damage, oxide layer thickness) and the initial properties of a material (surface and bulk defects, inhomogeneity of the dopant concentration), on the other.

SiO2 and ZnO dopants in three-dimensionally printed tricalcium phosphate bone tissue engineering scaffolds enhance osteogenesis and angiogenesis in vivo.

PubMed

Fielding, Gary; Bose, Susmita

2013-11-01

Calcium phosphate (CaP) scaffolds with three-dimensionally-interconnected pores play an important role in mechanical interlocking and biological fixation in bone implant applications. CaPs alone, however, are only osteoconductive (able to guide bone growth). Much attention has been given to the incorporation of biologics and pharmacologics to add osteoinductive (able to cause new bone growth) properties to CaP materials. Because biologics and pharmacologics are generally delicate compounds and also subject to increased regulatory scrutiny, there is a need to investigate alternative methods to introduce osteoinductivity to CaP materials. In this study silica (SiO2) and zinc oxide (ZnO) have been incorporated into three-dimensional printed β-tricalcium phosphate (β-TCP) scaffolds to investigate their potential to trigger osteoinduction in vivo. Silicon and zinc are trace elements that are common in bone and have also been shown to have many beneficial properties, from increased bone regeneration to angiogenesis. Implants were placed in bicortical femur defects introduced to a murine model for up to 16 weeks. The addition of dopants into TCP increased the capacity for new early bone formation by modulating collagen I production and osteocalcin production. Neovascularization was found to be up to three times more than the pure TCP control group. The findings from this study indicate that the combination of SiO2 and ZnO dopants in TCP may be a viable alternative to introducing osteoinductive properties to CaPs. Copyright © 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Investigation of the influence of vanadium, iron and nickel dopants on the morphology, and crystal structure and photocatalytic properties of titanium dioxide based nanopowders.

PubMed

Shao, Godlisten N; Jeon, Sun-Jeong; Haider, M Salman; Abbass, Nadir; Kim, Hee Taik

2016-07-15

Photoactive V, Fe and Ni doped TiO2 (M-TiO2) nanopowders were synthesized by a modified two-step sol-gel process in the absence of additives. Titanium oxychloride, which is a rarely-used TiO2 precursor was used to yield M-TiO2 photocatalysts with preferential photochemical performance in the presence of natural solar irradiation. The obtained samples were calcined at different calcination temperatures ranging from 450 to 800°C to evaluate the influence of the sintering on the physicochemical properties. The properties of the obtained samples were examined by XRF, XRD, Raman spectroscopy, UV-visible DRS, XPS, nitrogen gas physisorption studies, SEM-EDAX and HRTEM analyses. Structural characterization of the samples revealed the incorporation of these transition metal element into TiO2. It was also depicted that the morphology, crystal structure, optical and photochemical properties of the obtained samples were largely dependent on the calcination temperature and the type of dopant used during the preparation process. The photochemical performance of the samples was investigated in the photodegradation of methylene blue in the presence of natural sunlight. The experimental results indicated that the VT600 sample possessed the highest activity due to its superior properties. This study provides a systematic preparation and selection of the precursor, dopant and calcination temperature that are suitable for the formation of TiO2-based heterogeneous photocatalysts with appealing morphology, crystal structure, optical and photochemical properties for myriad of applications. Copyright © 2016 Elsevier Inc. All rights reserved.

Tuning near-gap electronic structure, interface charge transfer and visible light response of hybrid doped graphene and Ag3PO4 composite: Dopant effects

PubMed Central

He, Chao-Ni; Huang, Wei-Qing; Xu, Liang; Yang, Yin-Cai; Zhou, Bing-Xin; Huang, Gui-Fang; Peng, P.; Liu, Wu-Ming

2016-01-01

The enhanced photocatalytic performance of doped graphene (GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the dopant effects, we investigate the electronic structures and optical properties of doped GR/Ag3PO4 nanocomposites using the first-principles calculations, demonstrating that the band gap, near-gap electronic structure and interface charge transfer of the doped GR/Ag3PO4(100) composite can be tuned by the dopants. Interestingly, the doping atom and C atoms bonded to dopant become active sites for photocatalysis because they are positively or negatively charged due to the charge redistribution caused by interaction. The dopants can enhance the visible light absorption and photoinduced electron transfer. We propose that the N atom may be one of the most appropriate dopants for the GR/Ag3PO4 photocatalyst. This work can rationalize the available experimental results about N-doped GR-semiconductor composites, and enriches our understanding on the dopant effects in the doped GR-based composites for developing high-performance photocatalysts. PMID:26923338

Density functional theory and experimental study of the electronic structure and transport properties of La, V, Nb, and Ta doped SrTiO3

NASA Astrophysics Data System (ADS)

Baniecki, J. D.; Ishii, M.; Aso, H.; Kurihara, K.; Ricinschi, Dan

2013-01-01

The electronic structure and transport properties of donor doped SrTiO3 are studied using density functional theory with spin-orbit coupling and conductivity, Hall, and Seebeck effect measurements over a wide temperature range (100 K to 600 K). Split-off energies ΔSO are tunable through the dopant SO interaction strength and concentration varying from 28.1 meV for pure STO to 70.93 meV for SrTi0.5Nb0.5O3. At lower carrier concentrations and temperatures, SO coupling has a marked effect on both the filling dependence of the density-of-states mass as well as the temperature dependence of the Seebeck coefficient, with quantitative theoretical predictions based on DFT calculations that include the SO interaction in closer agreement to the experimental data. Moreover, the results suggest that the predictive power of the current theory is not unlimited, with less accuracy for the calculated S predicting the magnitude of the experimental S data at lower dopant concentrations than for degenerately doped systems. A concentration dependent mass enhancement of ˜2-5, relative to the density-of-states mass in the local density approximation, possibly due to the influence of electronic screening of the electron-phonon interaction, would bring the theoretical S in accord with the experimental S data. This additional carrier-dependent enhancement mechanism for S may give an additional degree of freedom in terms of designing new higher efficiency thermoelectric energy materials.

Carrier Injection and Transport in Blue Phosphorescent Organic Light-Emitting Device with Oxadiazole Host

PubMed Central

Chiu, Tien-Lung; Lee, Pei-Yu

2012-01-01

In this paper, we investigate the carrier injection and transport characteristics in iridium(III)bis[4,6-(di-fluorophenyl)-pyridinato-N,C2′]picolinate (FIrpic) doped phosphorescent organic light-emitting devices (OLEDs) with oxadiazole (OXD) as the bipolar host material of the emitting layer (EML). When doping Firpic inside the OXD, the driving voltage of OLEDs greatly decreases because FIrpic dopants facilitate electron injection and electron transport from the electron-transporting layer (ETL) into the EML. With increasing dopant concentration, the recombination zone shifts toward the anode side, analyzed with electroluminescence (EL) spectra. Besides, EL redshifts were also observed with increasing driving voltage, which means the electron mobility is more sensitive to the electric field than the hole mobility. To further investigate carrier injection and transport characteristics, FIrpic was intentionally undoped at different positions inside the EML. When FIrpic was undoped close to the ETL, driving voltage increased significantly which proves the dopant-assisted-electron-injection characteristic in this OLED. When the undoped layer is near the electron blocking layer, the driving voltage is only slightly increased, but the current efficiency is greatly reduced because the main recombination zone was undoped. However, non-negligible FIrpic emission is still observed which means the recombination zone penetrates inside the EML due to certain hole-transporting characteristics of the OXD. PMID:22837713

Rapid thermal anneal in InP, GaAs and GaAs/GaAlAs

NASA Astrophysics Data System (ADS)

Descouts, B.; Duhamel, N.; Godefroy, S.; Krauz, P.

Ion implantation in semiconductors provides a doping technique with several advantages over more conventional doping methods and is now extensively used for device applications, e.g. field effect transistors (MESFET GaAs, MIS (InP), GaAs/GaAlAs heterojunction bipolar transistors (HBT). Because of the lattice disorder produced by the implantation, the dopant must be made electrically active by a postimplant anneal. As the device performances are very dependent on its electrical characteristics, the anneal is a very important stage of the process. Rapid anneal is known to provide less exodiffusion and less induffusion of impurities compared to conventional furnace anneal, so this technique has been used in this work to activate an n-type dopant (Si) in InP and a p-type dopant (Mg) in GaAs and GaAs/GaAIAs. These two ions have been chosen to realize implanted MIS InP and the base contacts for GaAs/GaAlAs HBTs. The experimental conditions to obtain the maximum electrical activity in these two cases will be detailed. For example, although we have not been able to obtain a flat profile in Mg + implanted GaAs/GaAlAs heterostructure by conventional thermal anneal, rapid thermal anneal gives a flat hole profile over a depth of 0.5 μm with a concentration of 1 x 10 19 cm -3.

Apparatus and method for determining the optical power passing through an optical fiber

DOEpatents

Toeppen, John S.

1995-01-01

An apparatus and method for determining the optical power transmitted through an optical fiber. The invention is based on measuring the intensity of the fluorescence produced by a doped segment of an optical fiber. The dopant is selected so that it emits light at a different wavelength than that responsible for producing the fluorescence. The doped segment is of sufficient length and dopant concentration to provide a detectable signal, but short enough to prevent the doped segment from serving as a gain medium, resulting in amplified spontaneous emission and excess fluorescence traveling along the optical fiber. The dopant material is excited by the optical signal carried by the fiber, causing a fluorescence. In the preferred embodiment the intensity of the fluorescence is proportional to the intensity of the propagating light. The signal power is then determined from the intensity of the fluorescence. The intensity of the fluorescent signal is measured by a photodetector placed so as to detect the light emitted through the side of the doped segment. The detector may wrap around the circumference of the fiber, or be placed to one side and used in conjunction with a reflector placed on the opposing side of the fiber. Filters may be used to shield the detector from other light sources and assist with accurately determining the optical power of the signal propagating within the fiber.

Apparatus and method for determining the optical power passing through an optical fiber

DOEpatents

Toeppen, John S.

1995-04-04

An apparatus and method for determining the optical power transmitted through an optical fiber. The invention is based on measuring the intensity of the fluorescence produced by a doped segment of an optical fiber. The dopant is selected so that it emits light at a different wavelength than that responsible for producing the fluorescence. The doped segment is of sufficient length and dopant concentration to provide a detectable signal, but short enough to prevent the doped segment from serving as a gain medium, resulting in amplified spontaneous emission and excess fluorescence traveling along the optical fiber. The dopant material is excited by the optical signal carried by the fiber, causing a fluorescence. In the preferred embodiment the intensity of the fluorescence is proportional to the intensity of the propagating light. The signal power is then determined from the intensity of the fluorescence. The intensity of the fluorescent signal is measured by a photodetector placed so as to detect the light emitted through the side of the doped segment. The detector may wrap around the circumference of the fiber, or be placed to one side and used in conjunction with a reflector placed on the opposing side of the fiber. Filters may be used to shield the detector from other light sources and assist with accurately determining the optical power of the signal propagating within the fiber.

Materials properties of hafnium and zirconium silicates: Metal interdiffusion and dopant penetration studies

NASA Astrophysics Data System (ADS)

Quevedo Lopez, Manuel Angel

Hafnium and Zirconium based gate dielectrics are considered potential candidates to replace SiO2 or SiON as the gate dielectric in CMOS processing. Furthermore, the addition of nitrogen into this pseudo-binary alloy has been shown to improve their thermal stability, electrical properties, and reduce dopant penetration. Because CMOS processing requires high temperature anneals (up to 1050°C), it is important to understand the diffusion properties of any metal associated with the gate dielectric in silicon at these temperatures. In addition, dopant penetration from the doped polysilicon gate into the Si channel at these temperatures must also be studied. Impurity outdiffusion (Hf, Zr) from the dielectric, or dopant (B, As, P) penetration through the dielectric into the channel region would likely result in deleterious effects upon the carrier mobility. In this dissertation extensive thermal stability studies of alternate gate dielectric candidates ZrSixOy and HfSixO y are presented. Dopant penetration studies from doped-polysilicon through HfSixOy and HfSixOyNz are also presented. Rutherford Backscattering Spectroscopy (RBS), Heavy Ion RBS (HI-RBS), X-ray Photoelectron Spectroscopy (XPS), High Resolution Transmission Electron Microscopy (HR-TEM), and Time of Flight and Dynamic Secondary Ion Mass Spectroscopy (ToF-SIMS, D-SIMS) methods were used to characterize these materials. The dopant diffusivity is calculated by modeling of the dopant profiles in the Si substrate. In this disseration is reported that Hf silicate films are more stable than Zr silicate films, from the metal interdiffusion point of view. On the other hand, dopant (B, As, and P) penetration is observed for HfSixO y films. However, the addition of nitrogen to the Hf - Si - O systems improves the dopant penetration properties of the resulting HfSi xOyNz films.

STEM and APT characterization of scale formation on a La,Hf,Ti-doped NiCrAl model alloy.

PubMed

Unocic, Kinga A; Chen, Yimeng; Shin, Dongwon; Pint, Bruce A; Marquis, Emmanuelle A

2018-06-01

A thermally grown scale formed on a cast NiCrAl model alloy doped with lanthanum, hafnium, and titanium was examined after isothermal exposure at 1100 °C for 100 h in dry flowing O 2 to understand the dopant segregation along scale grain boundaries. The complex scale formed on the alloy surface was composed of two types of substrates: phase-dependent, thin (<250 nm) outer layers and a columnar-grained ∼3.5 μm inner alumina layer. Two types of oxides formed between the inner and outer scale layers: small (3-15 nm) La 2 O 3 and larger (≤50 nm) HfO 2 oxide precipitates. Nonuniform distributions of the hafnium, lanthanum, and titanium dopants were observed along the inner scale grain boundaries, with hafnium dominating in most of the grain boundaries of α-Al 2 O 3. The concentration of reactive elements (RE) seemed to strongly depend on the grain boundary structure. The level of titanium grain boundary segregation in the inner scale decreased toward the model alloy (substrate), confirming the fast outward diffusion of titanium. Hafnium was also observed at the metal-scale interface and in the γ' (Ni 3 Al) phase of the alloy. High-resolution scanning transmission electron microscopy (STEM) confirmed the substitution of REs for aluminum atoms at the scale grain boundaries, consistent with both the semiconducting band structure and the site-blocking models. Both STEM and atom probe tomography allowed quantification of REs along the scale grain boundaries across the scale thickness. Analysis of the scale morphology after isothermal exposure in flowing oxygen revealed a myriad of new precipitate phases, RE segregation dependence on grain boundary type, and atomic arrangement along scale grain boundaries, which is expected to influence the scale growth rate, stability, and mechanical properties. Copyright © 2018 Elsevier Ltd. All rights reserved.

Nanoscale Nitrogen Doping in Silicon by Self-Assembled Monolayers

NASA Astrophysics Data System (ADS)

Guan, Bin; Siampour, Hamidreza; Fan, Zhao; Wang, Shun; Kong, Xiang Yang; Mesli, Abdelmadjid; Zhang, Jian; Dan, Yaping

2015-07-01

This Report presents a nitrogen-doping method by chemically forming self-assembled monolayers on silicon. Van der Pauw technique, secondary-ion mass spectroscopy and low temperature Hall effect measurements are employed to characterize the nitrogen dopants. The experimental data show that the diffusion coefficient of nitrogen dopants is 3.66 × 10-15 cm2 s-1, 2 orders magnitude lower than that of phosphorus dopants in silicon. It is found that less than 1% of nitrogen dopants exhibit electrical activity. The analysis of Hall effect data at low temperatures indicates that the donor energy level for nitrogen dopants is located at 189 meV below the conduction band, consistent with the literature value.

Microdistribution of oxygen in silicon

NASA Technical Reports Server (NTRS)

Murgai, A.; Chi, J. Y.; Gatos, H. C.

1980-01-01

The microdistribution of oxygen in Czochralskii-grown, p-type silicon crystals was determined by using the SEM in the EBIC mode in conjunction with spreading resistance measurements. When the conductivity remained p-type, bands of contrast were observed in the EBIC image which corresponded to maxima in resistivity. When at the oxygen concentration maxima the oxygen donor concentration exceeded the p-type dopant concentration, an inversion of the conductivity occurred. It resulted in the formation of p-n junctions in a striated configuration and the local inversion of the EBIC image contrast. By heat-treating silicon at 1000 C prior to the activation of oxygen donors, some silicon-oxygen micro-precipitates were observed in the EBIC image within the striated oxygen concentration maxima.

Improved lithium iodide neutron scintillator with Eu 2+ activation: The elimination of Suzuki-Phase precipitates

DOE PAGES

Boatner, Lynn A.; Comer, Eleanor P.; Wright, Gomez W.; ...

2017-02-21

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu 2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalentmore » Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above ~0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu 2+ at concentrations up to and in excess of 3 wt.%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. Furthermore, the resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.« less

Improved lithium iodide neutron scintillator with Eu2+ activation: The elimination of Suzuki-Phase precipitates

NASA Astrophysics Data System (ADS)

Boatner, L. A.; Comer, E. P.; Wright, G. W.; Ramey, J. O.; Riedel, R. A.; Jellison, G. E.; Kolopus, J. A.

2017-05-01

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalent Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above 0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu2+ at concentrations up to and in excess of 3 wt%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. The resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boatner, Lynn A.; Comer, Eleanor P.; Wright, Gomez W.

Monovalent alkali halides such as NaI, CsI, and LiI are widely used as inorganic scintillators for radiation detection due to their light yield, the capability for the growth of large single crystals, relatively low cost, and other favorable characteristics. These materials are frequently activated through the addition of small amounts (e.g., a few hundred ppm) of elements such as thallium - or sodium in the case of CsI. The monovalent alkali halide scintillators can also be activated with low concentrations of Eu 2+, however Eu activation has previously not been widely employed due to the non-uniform segregation of the divalentmore » Eu dopant that leads to the formation of unwanted phases during Bridgman or other solidification crystal-growth methods. Specifically, for Eu concentrations near and above ~0.5%, Suzuki Phase precipitates form in the course of the melt-growth process, and these Suzuki Phase particles scatter the scintillation light. This adversely affects the scintillator performance via reduction in the optical transmission of the material, and depending on the crystal thickness and precipitated-particle concentration, this reduction can occur up to the point of opacity. Here we describe a post-growth process for the removal of Suzuki Phase precipitates from single crystals of the neutron scintillator LiI activated with Eu 2+ at concentrations up to and in excess of 3 wt.%, and we correlate the resulting neutron-detection performance with the thermal processing methods used to remove the Suzuki Phase particles. Furthermore, the resulting improved scintillator properties using increased Eu activator levels are applicable to neutron imaging and active interrogation systems, and pulse-height gamma-ray spectroscopy rather than pulse-shape discrimination can be used to discriminate between gamma ray and neutron interaction events.« less

Superconducting microcircuitry by the microlithographic patterning of superconducting compounds and related materials

DOEpatents

Coppa, N.V.

1993-08-24

A method is described of producing superconducting microcircuits comprising the steps of: depositing a thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x](O < x < 1) onto a substrate; depositing a thin film of a dopant onto said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x]; depositing a photoresist onto said thin film of a dopant; shining light through a mask containing a pattern for a desired circuit configuration and onto said photoresist; developing said photoresist to remove portions of said photoresist shined by the light and to selectively expose said dopant film; etching said selectively exposed dopant film from said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x] to form a pattern of dopant; and heating said substrate at a temperature and for a period of time sufficient to diffuse and react said pattern of dopant with said thin film of Ba[sub 2]Cu[sub 3]O[sub 5+x].

Effect of heat transfer of melt/solid interface shape and solute segregation in Edge-Defined Film-Fed growth - Finite element analysis

NASA Technical Reports Server (NTRS)

Ettouney, H. M.; Brown, R. A.

1982-01-01

The effects of the heat transfer environment in Edge-Defined Film-Fed Growth on melt-solid interface shape and lateral dopant segregation are studied by finite-element analysis of two-dimensional models for heat and mass transfer. Heat transfer configurations are studied that correspond to the uniform surroundings assumed in previous models and to lowand high-speed growth systems. The maximum growth rate for a silicon sheet is calculated and the range of validity of one-dimensional heat transfer models is established. The lateral segregation that results from curvature of the solidification interface is calculated for two solutes, boron and aluminum. In this way, heat transfer is linked directly to the uniformity of the product crystal.

Bimetallic cages

NASA Astrophysics Data System (ADS)

Fournier, René; Afzal-Hussain, Sabeen

2013-02-01

We report the results of density functional theory for 39 clusters AxBy (x + y = 10 or 12) where A and B are metals from group 1, 2, 11, 12, 13, or 14 of the periodic table. The chemical compositions were chosen to satisfy an electronic shell closing criterion. We performed an unbiased search for the global minimum (GM) by taboo search in descriptor space in each case. Eight of the 39 putative GM are cages even though none of the clusters contains gold, a metal with a well known propensity to form cages. These cages are large enough to accommodate a dopant atom with an atomic radius varying between 0.7 Å and 1.2 Å. The chemical compositions most likely to produce cages have an element of group 11 alloyed with an element of group 2, 12, or 13.

Contrasting the Role of Mg and Ba Doping on the Microstructure and Thermoelectric Properties of p-Type AgSbSe2.

PubMed

Liu, Zihang; Shuai, Jing; Geng, Huiyuan; Mao, Jun; Feng, Yan; Zhao, Xu; Meng, Xianfu; He, Ran; Cai, Wei; Sui, Jiehe

2015-10-21

Microstructure has a critical influence on the mechanical and functional properties. For thermoelectric materials, deep understanding of the relationship of microstructure and thermoelectric properties will enable the rational optimization of the ZT value and efficiency. Herein, taking AgSbSe2 as an example, we first report a different role of alkaline-earth metal ions (Mg(2+) and Ba(2+)) doping in the microstructure and thermoelectric properties of p-type AgSbSe2. For Mg doping, it monotonously increases the carrier concentration and then reduces the electrical resistivity, leading to a substantially enhanced power factor in comparison to those of other dopant elements (Bi(3+), Pb(2+), Zn(2+), Na(+), and Cd(2+)) in the AgSbSe2 system. Meanwhile, the lattice thermal conductivity is gradually suppressed by point defects scattering. In contrast, the electrical resistivity first decreases and then slightly rises with the increased Ba-doping concentrations due to the presence of BaSe3 nanoprecipitates, exhibiting a different variation tendency compared with the corresponding Mg-doped samples. More significantly, the total thermal conductivity is obviously reduced with the increased Ba-doping concentrations partially because of the strong scattering of medium and long wavelength phonons via the nanoprecipitates, consistent with the theoretical calculation and analysis. Collectively, ZT value ∼1 at 673 K and calculated leg efficiency ∼8.5% with Tc = 300 K and Th = 673 K are obtained for both AgSb0.98Mg0.02Se2 and AgSb0.98Ba0.02Se2 samples.

Structural and electrical properties of In-implanted Ge

DOE PAGES

Feng, R.; Kremer, F.; Sprouster, D. J.; ...

2015-10-22

Here, we report on the effects of dopant concentration on the structural and electrical properties of In-implanted Ge. For In concentrations of ≤ 0.2 at. %, extended x-ray absorption fine structure and x-ray absorption near-edge structure measurements demonstrate that all In atoms occupy a substitutional lattice site while metallic In precipitates are apparent in transmission electron micrographs for In concentrations ≥0.6 at. %. Evidence of the formation of In-vacancy complexes deduced from extended x-ray absorption fine structure measurements is complimented by density functional theory simulations. Hall effect measurements of the conductivity, carrier density, and carrier mobility are then correlated withmore » the substitutional In fraction.« less

Identification of ultradilute dopants in ceramics.

PubMed

Tanaka, Isao; Mizoguchi, Teruyasu; Matsui, Masafumi; Yoshioka, Satoru; Adachi, Hirohiko; Yamamoto, Tomoyuki; Okajima, Toshihiro; Umesaki, Masanori; Ching, Wai Yim; Inoue, Yoshiyuki; Mizuno, Masataka; Araki, Hideki; Shirai, Yasuharu

2003-08-01

The properties of ceramic materials are strongly influenced by the presence of ultradilute impurities (dopants). Near-edge X-ray absorption fine structure (NEXAFS) measurements using third-generation synchotron sources can be used to identify ultradilute dopants, provided that a good theoretical tool is available to interpret the spectra. Here, we use NEXAFS analysis and first-principles calculations to study the local environments of Ga dopants at levels of 10 p.p.m in otherwise high-purity MgO. This analysis suggests that the extra charge associated with substitutional Ga on a Mg site is compensated by the formation of a Mg vacancy. This defect model is then confirmed by positron lifetime measurements and plane-wave pseudopotential calculations. This powerful combination of techniques should provide a general method of identifying the defect states of ultradilute dopants in ceramics.

Isolated molecular dopants in pentacene observed by scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Ha, Sieu D.; Kahn, Antoine

2009-11-01

Doping is essential to the control of electronic structure and conductivity of semiconductor materials. Whereas doping of inorganic semiconductors is well established, doping of organic molecular semiconductors is still relatively poorly understood. Using scanning tunneling microscopy, we investigate, at the molecular scale, surface and subsurface tetrafluoro-tetracyanoquinodimethane p -dopants in the prototypical molecular semiconductor pentacene. Surface dopants diffuse to pentacene vacancies and appear as negatively charged centers, consistent with the standard picture of an ionized acceptor. Subsurface dopants, however, have the effect of a positive charge, evidence that the donated hole is localized by the parent acceptor counterion, in contrast to the model of doping in inorganic semiconductors. Scanning tunneling spectroscopy shows that the electron potential energy is locally lowered near a subsurface dopant feature, in agreement with the localized hole model.

Using Pt Dopant and Sol Gel Technology for Sensitivity Enhancement of TiO2/SnO2Humidity Sensors.

PubMed

Chang, Wen-Yang; Ke, Wen-Wang; Hsieh, Yu-Sheng; Kuo, Nai-Hao; Lin, Yu-Cheng

2005-01-01

The sensitivity of the humidity sensor based on hybrid thin films of nanostructure TiO2/SnO2with Pt dopant was successfully increased. The humidity-sensitive materials, TiO2/SnO3, were prepared by sol gel technology. The microstructure of the sensing film after calcination was investigated by the Field Emission gun Scanning Electron Microscopy (FESEM) and revealed that the metal oxide hybrid had about 10 nm grain size. For studying the effect of Pt dopant on the humidity-sensitive responses, 1 ml to 10 ml of Pt standard solution was added into the colloidal solution. To compare the humidity sensor of Pt dopant with that of no Pt dopant, operational frequencies and electrode spacing were set under the relative humidity from 30 % to 95 % at the ambient temperature of 22 °C. We demonstrated that adding Pt dopant remarkably enhanced the sensitivity of TiO2/SnO2humidity sensor, and further decreased the TiO2/SnO2 resistance, which was 3.3 times lower than that without Pt dopant at the high humidity.

Dehydriding properties of Ti or/and Zr-doped sodium aluminum hydride prepared by ball-milling

NASA Astrophysics Data System (ADS)

Xiao, Xue-Zhang; Chen, Li-Xin; Wang, Xin-Hua; Li, Shou-Quan; Hang, Zhou-Ming; Chen, Chang-Pin; Wang, Qi-Dong

2007-12-01

The NaAlH4 complex is attracting great attention for its potential applications in hydrogen-powered fuel-cell vehicles due to its high hydrogen storage capacity and suitable thermodynamic properties. However, its practicable hydrogen storage capacity presently obtained is less than the theoretical capacity (5.6 wt.%). To improve the hydrogen capacity, we chose metallic Ti or/and Zr powder as catalyst dopants, and prepared the sodium aluminum hydride by hydrogenation of ball-milled NaH/Al mixture containing 10 mol% dopants with different proportions of Ti and Zr, and then investigated the effects on their hydrogen storage (dehydriding) properties. The results showed that different catalyst dopants affected the dehydriding properties greatly. The catalysis of metal Ti as a catalyst dopant alone on dehydriding kinetics for the entire dehydrogenation process of ball-milled (NaH/Al) composite was higher than that of adopting Zr alone. The synergistic catalytic effect of Ti and Zr together as co-dopants on the dehydrogenation process of (NaH/Al) composite was higher than that using only Ti or Zr as dopant individually. The composite doped with proper proportion of Ti and Zr together (8 mol% Ti+ 2 mol% Zr) as co-dopants exhibited the highest dehydriding kinetic property and desorption capacity.

Effect of Cr3+ concentration on structural and optical properties of TiO2:Cr3+ anatase and rutile phases

NASA Astrophysics Data System (ADS)

Loan, Trinh Thi; Bang, Ngac An; Huong, Vu Hoang; Long, Nguyen Ngoc

2017-07-01

TiO2 powders doped with different amounts of Cr3+ions (from 0 to 10 mol%) have been prepared by hydrothermal technique. TiO2:Cr3+ powders were characterized by X-ray diffraction, Raman spectroscopy, transmission electron microscopy, diffuse reflection, absorption, photoluminescence and photoluminescence excitation spectra. The results showed that the Cr3+ dopant concentrations did not affect on the lattice constants of TiO2 crystal, but affected on shift and broadening of the Raman modes for both anatase and rutile phases. The band gap of both the anatase and rutile TiO2 host lattice was strongly decreased with increasing Cr3+ dopant concentration. The photoluminescence spectra of TiO2:Cr3+ anatase phase exhibited a weak narrow peak (the so-called R-line) at 698 nm, meanwhile those of TiO2:Cr3+ rutile phase consisted of a very intense narrow zero-phonon R-line at 695 nm assigned to the 2E(2G) → 4A2(4F) transition of Cr3+ ions in strong octahedral field and its phonon-sidebands. In particular, in the PL spectrum of TiO2:Cr3+ rutile phase is also observed an abroad emission band centered at 813 nm assigned to the 4T2(4F) → 4A2(4F) transition of ions Cr3+ in weak octahedral field.

Structure and Stoichiometry in Supervalent Doped Li 7La 3 Zr 2O 12

DOE PAGES

Mukhopadhyay, Saikat; Thompson, Travis; Sakamoto, Jeff; ...

2015-04-20

The oxide garnet material Li 7La 3 Zr 2O 12 shows remarkably high ionic conductivity when doped with supervalent ions that are charge compensated by Li vacancies and is currently one of the best candidates for development of a technologically relevant solid electrolyte. Determination of optimal dopant concentration, however, has remained a persistent problem due to the extreme difficulty of establishing the actual (as compared to nominal) stoichiometry of intentionally doped materials and by the fact that it is still not entirely clear what level of lattice expansion/contraction best promotes. ionic diffusion. By combining careful synthesis, neutron diffraction, high-resolution X-raymore » diffraction (XRD), Raman measurements, and density functional theory calculations, we show that structure and stoichiometry are intimately related such that the former can in many cases be used as a gauge of the latter. We show that different Li-vacancy creating supervalent ions (Al 3+ vs Ta 5+) affect the structure very differently, both in terms of the lattice constant, which is easily measurable, and hi terms of the local structure, which can be difficult or impossible to access experimentally but may have important ramifications for conduction. We carefully correlate the lattice constant to dopant type/concentration via Vegard's law and then further correlate these quantities to relevant local structural parameters. In conclusion, our work opens the possibility of developing a codopant scheme that optimizes the Li vacancy concentration and the lattice size simultaneously.« less

Understanding of sub-band gap absorption of femtosecond-laser sulfur hyperdoped silicon using synchrotron-based techniques

PubMed Central

Limaye, Mukta V.; Chen, S. C.; Lee, C. Y.; Chen, L. Y.; Singh, Shashi B.; Shao, Y. C.; Wang, Y. F.; Hsieh, S. H.; Hsueh, H. C.; Chiou, J. W.; Chen, C. H.; Jang, L. Y.; Cheng, C. L.; Pong, W. F.; Hu, Y. F.

2015-01-01

The correlation between sub-band gap absorption and the chemical states and electronic and atomic structures of S-hyperdoped Si have been extensively studied, using synchrotron-based x-ray photoelectron spectroscopy (XPS), x-ray absorption near-edge spectroscopy (XANES), extended x-ray absorption fine structure (EXAFS), valence-band photoemission spectroscopy (VB-PES) and first-principles calculation. S 2p XPS spectra reveal that the S-hyperdoped Si with the greatest (~87%) sub-band gap absorption contains the highest concentration of S2− (monosulfide) species. Annealing S-hyperdoped Si reduces the sub-band gap absorptance and the concentration of S2− species, but significantly increases the concentration of larger S clusters [polysulfides (Sn2−, n > 2)]. The Si K-edge XANES spectra show that S hyperdoping in Si increases (decreased) the occupied (unoccupied) electronic density of states at/above the conduction-band-minimum. VB-PES spectra evidently reveal that the S-dopants not only form an impurity band deep within the band gap, giving rise to the sub-band gap absorption, but also cause the insulator-to-metal transition in S-hyperdoped Si samples. Based on the experimental results and the calculations by density functional theory, the chemical state of the S species and the formation of the S-dopant states in the band gap of Si are critical in determining the sub-band gap absorptance of hyperdoped Si samples. PMID:26098075

Electronic and magnetic properties of TiO2 (co)-doped with (V, Mn)

NASA Astrophysics Data System (ADS)

Rami, R.; Rkhioui, N.; Ahl Laamara, R.; Drissi, L. B.

2017-12-01

The effect of dopage and co-dopage with vanadium and manganese on the structural, the electronic and the magnetic properties of TiO2 is studied using ab initio calculations. The calculations are based on the Korringa-Kohn-Rostoker method combined with the coherent potential approach, employing the local density approximation (LDA). The density of states are plotted in the energy diagram for different concentrations of dopants. The magnetic moments and half-metallic character of the doped compounds are investigated and the mechanism of exchange interaction is determined. In addition, the Curie temperature is given for different concentrations.

Evolution of dielectric function of Al-doped ZnO thin films with thermal annealing: effect of band gap expansion and free-electron absorption.

PubMed

Li, X D; Chen, T P; Liu, Y; Leong, K C

2014-09-22

Evolution of dielectric function of Al-doped ZnO (AZO) thin films with annealing temperature is observed. It is shown that the evolution is due to the changes in both the band gap and the free-electron absorption as a result of the change of free-electron concentration of the AZO thin films. The change of the electron concentration could be attributed to the activation of Al dopant and the creation/annihilation of the donor-like defects like oxygen vacancy in the thin films caused by annealing.

Advances in highly doped upconversion nanoparticles.

PubMed

Wen, Shihui; Zhou, Jiajia; Zheng, Kezhi; Bednarkiewicz, Artur; Liu, Xiaogang; Jin, Dayong

2018-06-20

Lanthanide-doped upconversion nanoparticles (UCNPs) are capable of converting near-infra-red excitation into visible and ultraviolet emission. Their unique optical properties have advanced a broad range of applications, such as fluorescent microscopy, deep-tissue bioimaging, nanomedicine, optogenetics, security labelling and volumetric display. However, the constraint of concentration quenching on upconversion luminescence has hampered the nanoscience community to develop bright UCNPs with a large number of dopants. This review surveys recent advances in developing highly doped UCNPs, highlights the strategies that bypass the concentration quenching effect, and discusses new optical properties as well as emerging applications enabled by these nanoparticles.

Amplitudes of doping striations: comparison of numerical calculations and analytical approaches

NASA Astrophysics Data System (ADS)

Jung, T.; Müller, G.

1997-02-01

Transient, axisymmetric numerical calculations of the heat and species transport including convection were performed for a simplified vertical gradient freeze (Bridgman) process with bottom seeding for GaAs. Periodical oscillations were superimposed onto the transient heater temperature profile. The amplitudes of the resulting oscillations of the growth rate and the dopant concentration (striations) in the growing crystals are compared with the predictions of analytical models.

Very low Schottky barrier height at carbon nanotube and silicon carbide interface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Inaba, Masafumi, E-mail: inaba-ma@ruri.waseda.jp; Suzuki, Kazuma; Shibuya, Megumi

2015-03-23

Electrical contacts to silicon carbide with low contact resistivity and high current durability are crucial for future SiC power devices, especially miniaturized vertical-type devices. A carbon nanotube (CNT) forest formed by silicon carbide (SiC) decomposition is a densely packed forest, and is ideal for use as a heat-dissipative ohmic contact in SiC power transistors. The contact resistivity and Schottky barrier height in a Ti/CNT/SiC system with various SiC dopant concentrations were evaluated in this study. Contact resistivity was evaluated in relation to contact area. The Schottky barrier height was calculated from the contact resistivity. As a result, the Ti/CNT/SiC contactmore » resistivity at a dopant concentration of 3 × 10{sup 18 }cm{sup −3} was estimated to be ∼1.3 × 10{sup −4} Ω cm{sup 2} and the Schottky barrier height of the CNT/SiC contact was in the range of 0.40–0.45 eV. The resistivity is relatively low for SiC contacts, showing that CNTs have the potential to be a good ohmic contact material for SiC power electronic devices.« less

Influence of annealing temperature on optical properties of Al doped ZnO nanoparticles via sol-gel methods

NASA Astrophysics Data System (ADS)

Rashid, Affa Rozana Abd; Hazwani, Tuan Nur; Mukhtar, Wan Maisarah; Taib, Nur Athirah Mohd

2018-06-01

Zinc oxide (ZnO) thin films have become technologically important materials due to their wide range of electrical and optical properties. The characteristics can be further adjusted by adequate doping processes. The effect of dopant concentration of Al, heating treatment and annealing in reducing atmosphere on the optical properties of the thin films is discussed. Undoped and aluminum-doped zinc oxide (AZO) thin films are prepared by the sol-gel method. Zinc acetate dihydrate, 2-methoxyethanol and monoethanolamine are used as precursor, solvent and stabilizer. In the case of AZO, aluminum nitrate nanohydrate is added to the precursor solution with an atomic percentage equal to 0 %, 1 %, 2 % and 3 % of Al. The multi thin layers are transformed into ZnO upon annealing at 450 °C and 500 °C. The optical properties such as transmittance, absorbance, band gap and refractive index of the thin films have been investigated by using UV-Visible Spectroscopy (UV-Vis). The results show that the effect of aluminium dopant concentration on the optical properties is depend on the post-heat treatment of the films. By doping with Al, the transmittance spectra in visible range increased and widen the band gap of ZnO which might due to Burstein-moss effects.