Electronic structure of graphene- and BN-supported phosphorene

NASA Astrophysics Data System (ADS)

Davletshin, Artur R.; Ustiuzhanina, Svetlana V.; Kistanov, Andrey A.; Saadatmand, Danial; Dmitriev, Sergey V.; Zhou, Kun; Korznikova, Elena A.

2018-04-01

By using first-principles calculations, the effects of graphene and boron nitride (BN) substrates on the electronic properties of phosphorene are studied. Graphene-supported phosphorene is found to be metallic, while the BN-supported phosphorene is a semiconductor with a moderate band gap of 1.02 eV. Furthermore, the effects of the van der Waals interactions between the phosphorene and graphene or BN layers by means of the interlayer distance change are investigated. It is shown that the interlayer distance change leads to significant band gap size modulations and direct-indirect band gap transitions in the phosphorene-BN heterostructure. The presented band gap engineering of phosphorene may be a powerful technique for the fabrication of high-performance phosphorene-based nanodevices.

Tailoring of optical band gap by varying Zn content in Cd{sub 1-x}Zn{sub x}S thin films prepared by spray pyrolysis method

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

Kumar, Vipin, E-mail: vipinkumar28@yahoo.co.in; Sharma, D. K.; Agrawal, Sonalika

Cd{sub 1-X}Zn{sub X}S thin films (X = 0.2, 0.4, 0.6, 0.8) have been grown on glass substrate by spray pyrolysis technique using equimolar concentration aqueous solution of cadmium chloride, zinc acetate and thiourea. Prepared thin films have been characterized by UV-VIS spectrophotometer. The optical band gap of the films has been studied by transmission spectra in wavelength range 325-600nm. It has been observed that optical band gap increases with increasing zinc concentration. The optical band gap of these thin films varies from 2.59 to 3.20eV with increasing Zn content.

Control of biaxial strain in single-layer molybdenite using local thermal expansion of the substrate

NASA Astrophysics Data System (ADS)

Plechinger, Gerd; Castellanos-Gomez, Andres; Buscema, Michele; van der Zant, Herre S. J.; Steele, Gary A.; Kuc, Agnieszka; Heine, Thomas; Schüller, Christian; Korn, Tobias

2015-03-01

Single-layer MoS2 is a direct-gap semiconductor whose electronic band structure strongly depends on the strain applied to its crystal lattice. While uniaxial strain can be easily applied in a controlled way, e.g., by bending of a flexible substrate with the atomically thin MoS2 layer on top, experimental realization of biaxial strain is more challenging. Here, we exploit the large mismatch between the thermal expansion coefficients of MoS2 and a silicone-based substrate to apply a controllable biaxial tensile strain by heating the substrate with a focused laser. The effect of this biaxial strain is directly observable in optical spectroscopy as a redshift of the MoS2 photoluminescence. We also demonstrate the potential of this method to engineer more complex strain patterns by employing highly absorptive features on the substrate to achieve non-uniform heat profiles. By comparison of the observed redshift to strain-dependent band structure calculations, we estimate the biaxial strain applied by the silicone-based substrate to be up to 0.2%, corresponding to a band gap modulation of 105 meV per percentage of biaxial tensile strain.

Reducing support loss in micromechanical ring resonators using phononic band-gap structures

NASA Astrophysics Data System (ADS)

Hsu, Feng-Chia; Hsu, Jin-Chen; Huang, Tsun-Che; Wang, Chin-Hung; Chang, Pin

2011-09-01

In micromechanical resonators, energy loss via supports into the substrates may lead to a low quality factor. To eliminate the support loss, in this paper a phononic band-gap structure is employed. We demonstrate a design of phononic-crystal (PC) strips used to support extensional wine-glass mode ring resonators to increase the quality factor. The PC strips are introduced to stop elastic-wave propagation by the band-gap and deaf-band effects. Analyses of resonant characteristics of the ring resonators and the dispersion relations, eigenmodes, and transmission properties of the PC strips are presented. With the proposed resonator architecture, the finite-element simulations show that the leaky power is effectively reduced and the stored energy inside the resonators is enhanced simultaneously as the operating frequencies of the resonators are within the band gap or deaf bands. Realization of a high quality factor micromechanical ring resonator with minimized support loss is expected.

Band gaps and Brekhovskikh attenuation of laser-generated surface acoustic waves in a patterned thin film structure on silicon

NASA Astrophysics Data System (ADS)

Maznev, A. A.

2008-10-01

Surface acoustic modes of a periodic array of copper and SiO2 lines on a silicon substrate are studied using a laser-induced transient grating technique. It is found that the band gap formed inside the Brillouin zone due to “avoided crossing” of Rayleigh and Sezawa modes is much greater than the band gap in the Rayleigh wave dispersion formed at the zone boundary. Another unexpected finding is that a very strong periodicity-induced attenuation is observed above the longitudinal threshold rather than above the transverse threshold.

Optically initiated silicon carbide high voltage switch

DOEpatents

Caporaso, George J [Livermore, CA; Sampayan, Stephen E [Manteca, CA; Sullivan, James S [Livermore, CA; Sanders,; David, M [Livermore, CA

2011-02-22

An improved photoconductive switch having a SiC or other wide band gap substrate material, such as GaAs and field-grading liners composed of preferably SiN formed on the substrate adjacent the electrode perimeters or adjacent the substrate perimeters for grading the electric fields.

Strain-induced optical band gap variation of SnO 2 films

DOE PAGES

Rus, Stefania Florina; Ward, Thomas Zac; Herklotz, Andreas

2016-06-29

In this paper, thickness dependent strain relaxation effects are utilized to study the impact of crystal anisotropy on the optical band gap of epitaxial SnO 2 films grown by pulsed laser deposition on (0001)-oriented sapphire substrates. An X-ray diffraction analysis reveals that all films are under tensile biaxial in-plane strain and that strain relaxation occurs with increasing thickness. Variable angle spectroscopic ellipsometry shows that the optical band gap of the SnO 2 films continuously increases with increasing film thickness. This increase in the band gap is linearly related to the strain state of the films, which indicates that the mainmore » origin of the band gap change is strain relaxation. The experimental observation is in excellent agreement with results from density functional theory for biaxial in-plane strain. Our research demonstrates that strain is an effective way to tune the band gap of SnO 2 films and suggests that strain engineering is an appealing route to tailor the optical properties of oxide semiconductors.« less

Measurement of locally resonant band gaps in a surface phononic crystal with inverted conical pillars

NASA Astrophysics Data System (ADS)

Hsu, Jin-Chen; Lin, Fan-Shun

2018-07-01

In this paper, we numerically and experimentally study locally resonant (LR) band gaps for surface acoustic waves (SAWs) in a honeycomb array of inverted conical pillars grown on the surface of a 128°YX lithium-niobate substrate. We show that the inverted conical pillars can be used to generate lower LR band gaps below the sound cone. This lowering effect is caused by the increase in the effective pillar mass without increasing the effective stiffness. We employ the finite-element method to calculate the LR band gaps and wideband slanted-finger interdigital transducers to measure the transmission of SAWs. Numerical results show that SAWs are prohibited from propagating through the structure in the lowered LR band gaps. Obvious LR band-gap lowering is observed in the experimental result of a surface phononic crystal with a honeycomb array of inverted conical pillars. The results enable enhanced control over the phononic metamaterial and surface structures, which may have applications in low-frequency waveguiding, acoustic isolation, acoustic absorbers, and acoustic filters.

Energy gap states and tunneling currents in semiconducting graphene

NASA Astrophysics Data System (ADS)

Szczesniak, Dominik; Hoehn, Ross; Kais, Sabre

It has been predicted that when graphene is supported on a substrate or doped with foreign atom species, the inherent linear electronic dispersion of its pristine form can be strongly altered. Worthy of special attention is the situation when the interactions between graphene and the substrate or dopants lead to an opening of the finite electronic gap in the fermionic spectrum of this nano-material, and strongly influence its transport and optical properties. Herein, the fundamental electronic transport properties of such perturbed graphene are discussed in the framework of the complex band structure analysis, which not only accounts for the propagating but also the evanescent electronic states. Various scenarios responsible for the band gap opening and manipulation of its characteristics are considered, these considerations may entirely account for the aforementioned perturbations to the pristine graphene. It is shown, that the these perturbations are responsible for inducing gap states which allow electrons to directly tunnel between the conduction and valence bands in perturbed graphene. The resulting tunneling states are analyzed in a comprehensive manner, suggesting their great importance for the transport processes across graphene-based semiconducting nanostructures.

Graphene-induced band gap renormalization in polythiophene: a many-body perturbation study

NASA Astrophysics Data System (ADS)

Marsusi, F.; Fedorov, I. A.; Gerivani, S.

2018-01-01

Density functional theory and many-body perturbation theory at the G0W0 level are employed to study the electronic properties of polythiophene (PT) adsorbed on the graphene surface. Analysis of the charge density difference shows that substrate-adsorbate interaction leads to a strong physisorption and interfacial electric dipole moment formation. The electrostatic potential displays a  -0.19 eV shift in the graphene work function from its initial value of 4.53 eV, as the result of the interaction. The LDA band gap of the polymer does not show any change. However, the band structure exhibits weak orbital hybridizations resulting from slight overlapping between the polymer and graphene states wave functions. The interfacial polarization effects on the band gap and levels alignment are investigated at the G0W0 level and show a notable reduction of PT band gap compared to that of the isolated chain.

(abstract) Transmission Electron Microscopy of Al(sub x)Ga(sub 1-x)N/SiC Multilayer Structures Grown on Sapphire Substrates

NASA Technical Reports Server (NTRS)

Pike, W. T.; George, T.; Khan, M. A.; Kuznia, J. N.

1994-01-01

The potential of wide-band-gap III-V nitrides as ultraviolet sensors and light emitters has prompted an increasing amount of work recently, including the fabrication of the first UV sensors from as-deposited single crystal GaN. We have used high resolution transmission electron microscopy (TEM) to study the microstructure of two novel developments of wide-band-gap III-V nitrides: the growth of ultra-short period GaN/AlN superlattices; and the incorporation of SiC layers into Al(sub x)Ga(sub 1-x)N structures. By varying the relative periods in a GaN/AlN superlattice, the band gap of the composite can be tailored to lie between the elemental values of 365 nm for GaN and 200 nm for AlN. The group IV semiconductor, SiC, has a wide band-gap and has a close lattice match (less than 3 %) to Al(sub x)Ga(sub 1-x)N for growth on the basal plane. Demonstration of epitaxial growth for Al(sub x)Ga(sub 1-x)N/SiC multilayers would introduce a wide band-gap analog to the already existing family of III-V and Si(sub 1-x)Ge(sub x) heteroepitaxial growth systems. Although good quality growth of GaN on SiC substrates has been demonstrated, Al(sub x)Ga(sub 1-x)N/SiC multilayer structures have never been grown and the interfacial structure is unknown.

Rapid Annealing Of Amorphous Hydrogenated Carbon

NASA Technical Reports Server (NTRS)

Alterovitz, Samuel A.; Pouch, John J.; Warner, Joseph D.

1989-01-01

Report describes experiments to determine effects of rapid annealing on films of amorphous hydrogenated carbon. Study represents first efforts to provide information for applications of a-C:H films where rapid thermal processing required. Major finding, annealing causes abrupt increase in absorption and concomitant decrease in optical band gap. Most of change occurs during first 20 s, continues during longer annealing times. Extend of change increases with annealing temperature. Researchers hypothesize abrupt initial change caused by loss of hydrogen, while gradual subsequent change due to polymerization of remaining carbon into crystallites or sheets of graphite. Optical band gaps of unannealed specimens on silicon substrates lower than those of specimens on quartz substrates.

Monolithic multi-color light emission/detection device

DOEpatents

Wanlass, Mark W.

1995-01-01

A single-crystal, monolithic, tandem, multi-color optical transceiver device is described, including (a) an InP substrate having upper and lower surfaces, (b) a first junction on the upper surface of the InP substrate, (c) a second junction on the first junction. The first junction is preferably GaInAsP of defined composition, and the second junction is preferably InP. The two junctions are lattice matched. The second junction has a larger energy band gap than the first junction. Additional junctions having successively larger energy band gaps may be included. The device is capable of simultaneous and distinct multi-color emission and detection over a single optical fiber.

Growth of Wide Band Gap II-VI Compound Semiconductors by Physical Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Sha, Yi-Gao

1995-01-01

The studies on the crystal growth and characterization of II-VI wide band gap compound semiconductors, such as ZnTe, CdS, ZnSe and ZnS, have been conducted over the past three decades. The research was not quite as extensive as that on Si, III-V, or even narrow band gap II-VI semiconductors because of the high melting temperatures as well as the specialized applications associated with these wide band gap semiconductors. In the past several years, major advances in the thin film technology such as Molecular Beam Epitaxy (MBE) and Metal Organic Chemical Vapor Deposition (MOCVD) have demonstrated the applications of these materials for the important devices such as light-emitting diode, laser and ultraviolet detectors and the tunability of energy band gap by employing ternary or even quaternary systems of these compounds. At the same time, the development in the crystal growth of bulk materials has not advanced far enough to provide low price, high quality substrates needed for the thin film growth technology.

Band gap engineering of N-alloyed Ga{sub 2}O{sub 3} thin films

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

Song, Dongyu; Li, Bingsheng, E-mail: libingsheng@hit.edu.cn, E-mail: ashen@ccny.cuny.edu; Sui, Yu

2016-06-15

The authors report the tuning of band gap of GaON ternary alloy in a wide range of 2.75 eV. The samples were prepared by a two-step nitridation method. First, the samples were deposited on 2-inch fused silica substrates by megnetron sputtering with NH{sub 3} and Ar gas for 60 minutes. Then they were annealed in NH{sub 3} ambience at different temperatures. The optical band gap energies are calculated from transmittance measurements. With the increase of nitridation temperature, the band gap gradually decreases from 4.8 eV to 2.05 eV. X-ray diffraction results indicate that as-deposited amorphous samples can crystallize into monoclinicmore » and hexagonal structures after they were annealed in oxygen or ammonia ambience, respectively. The narrowing of the band gap is attributed to the enhanced repulsion of N2p -Ga3d orbits and formation of hexagonal structure.« less

Enabling direct silicene integration in electronics: First principles study of silicene on NiSi 2(111)

DOE PAGES

Cheng, Jian -Yih; Chan, Maria K. Y.; Lilley, Carmen M.

2016-09-26

Silicene on metal silicides poses promise for direct integration of silicene into electronic devices. The details of the metal silicide-silicene interface, however, may have significant effects on the electronic properties. In this work, the electronic properties of silicene on NiSi 2(111) and hydrogenated NiSi 2(111) (H:NiSi 2) substrates, as well as hydrogenated silicene (H:silicene) on a NiSi 2(111) substrate, were simulated using first principles methods. The preferred Si surface termination of NiSi 2 was determined through surface energy calculations, and the band structure and density of states (DOS) were calculated for the two-dimensional silicene and H:silicene layers. Hydrogenating NiSi 2more » lowered the binding energy between silicene and the substrate and resulting in partial decoupling of the electronic properties. Relaxed silicene on H:NiSi 2 showed a small band gap opening of 0.14 eV. Silicene on H:NiSi 2 also had a calculated electron effective mass of 0.08m 0 and Fermi velocity of 0.39×10 6 m/s, which are similar to the values for freestanding silicene. H:silicene on NiSi 2 retained its band structure and DOS compared to freestanding H:silicene. The band gap of H:silciene on NiSi 2 was 1.97 eV and is similar to freestanding H:silicene band gap of 2 eV. As a result, this research showed that hydrogenation may be a viable method for decoupling a silicene layer from a NiSi 2(111) substrate to tune its electronic properties.« less

Band gap bowing in NixMg1−xO

PubMed Central

Niedermeier, Christian A.; Råsander, Mikael; Rhode, Sneha; Kachkanov, Vyacheslav; Zou, Bin; Alford, Neil; Moram, Michelle A.

2016-01-01

Epitaxial transparent oxide NixMg1−xO (0 ≤ x ≤ 1) thin films were grown on MgO(100) substrates by pulsed laser deposition. High-resolution synchrotron X-ray diffraction and high-resolution transmission electron microscopy analysis indicate that the thin films are compositionally and structurally homogeneous, forming a completely miscible solid solution. Nevertheless, the composition dependence of the NixMg1−xO optical band gap shows a strong non-parabolic bowing with a discontinuity at dilute NiO concentrations of x < 0.037. Density functional calculations of the NixMg1−xO band structure and the density of states demonstrate that deep Ni 3d levels are introduced into the MgO band gap, which significantly reduce the fundamental gap as confirmed by optical absorption spectra. These states broaden into a Ni 3d-derived conduction band for x > 0.074 and account for the anomalously large band gap narrowing in the NixMg1−xO solid solution system. PMID:27503808

Lateral epitaxy of atomically sharp WSe 2/WS 2 heterojunctions on silicon dioxide substrates

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

Chen, Jianyi; Zhou, Wu; Tang, Wei

Here, in recent years, 2-D transition-metal dichalcogenides (TMDCs) have received great interests because of the broader possibilities offered by their tunable band gaps, as opposed to gapless graphene which precludes application in digital electronics. TMDCs exhibit an indirect-to-direct band gap transition at the single atomic sheet state as well as optically accessible spin degree of freedom in valleytronics.

Lateral epitaxy of atomically sharp WSe 2/WS 2 heterojunctions on silicon dioxide substrates

DOE PAGES

Chen, Jianyi; Zhou, Wu; Tang, Wei; ...

2016-09-30

Here, in recent years, 2-D transition-metal dichalcogenides (TMDCs) have received great interests because of the broader possibilities offered by their tunable band gaps, as opposed to gapless graphene which precludes application in digital electronics. TMDCs exhibit an indirect-to-direct band gap transition at the single atomic sheet state as well as optically accessible spin degree of freedom in valleytronics.

Energy band gap and optical transition of metal ion modified double crossover DNA lattices.

PubMed

Dugasani, Sreekantha Reddy; Ha, Taewoo; Gnapareddy, Bramaramba; Choi, Kyujin; Lee, Junwye; Kim, Byeonghoon; Kim, Jae Hoon; Park, Sung Ha

2014-10-22

We report on the energy band gap and optical transition of a series of divalent metal ion (Cu(2+), Ni(2+), Zn(2+), and Co(2+)) modified DNA (M-DNA) double crossover (DX) lattices fabricated on fused silica by the substrate-assisted growth (SAG) method. We demonstrate how the degree of coverage of the DX lattices is influenced by the DX monomer concentration and also analyze the band gaps of the M-DNA lattices. The energy band gap of the M-DNA, between the lowest unoccupied molecular orbital (LUMO) and the highest occupied molecular orbital (HOMO), ranges from 4.67 to 4.98 eV as judged by optical transitions. Relative to the band gap of a pristine DNA molecule (4.69 eV), the band gap of the M-DNA lattices increases with metal ion doping up to a critical concentration and then decreases with further doping. Interestingly, except for the case of Ni(2+), the onset of the second absorption band shifts to a lower energy until a critical concentration and then shifts to a higher energy with further increasing the metal ion concentration, which is consistent with the evolution of electrical transport characteristics. Our results show that controllable metal ion doping is an effective method to tune the band gap energy of DNA-based nanostructures.

Monolayer Boron Nitride Substrate Interactions with Graphene Under In-Plane and Perpendicular Strains: A First-Principles Study

NASA Astrophysics Data System (ADS)

Behzad, Somayeh

2018-04-01

Effects of strain on the electronic and optical properties of graphene on monolayer boron nitride (BN) substrate are investigated using first-principle calculations based on density functional theory. Strain-free graphene/BN has a small band gap of 97 meV at the K point. The magnitude of band gap increases with in-plane biaxial strain while it decreases with the perpendicular uniaxial strain. The ɛ2 (ω ) spectrum of graphene/BN bilayer for parallel polarization shows red and blue shifts by applying the in-plane tensile and compressive strains, respectively. Also the positions of peaks in the ɛ2 (ω ) spectrum are not significantly changed under perpendicular strain. The calculated results indicate that graphene on the BN substrate has great potential in microelectronic and optoelectronic applications.

Infrared Emitters and Photodetectors with InAsSb Bulk Active Region

DTIC Science & Technology

2013-04-29

SLS) buffers on GaSb substrates [9]. By that time, 145 meV (A.= 8.6 J.lm) was reported to be the minimum energy gap for the bulk lnAsSb alloys at 77...substrate side (b) GaSb substrate thinned to 200iJm Figure 5. (a) The band diagram of the heterostructure with the undoped bulk InAsSb0.2 layer...shift of the EL energy peak compared to the PL peak at/, ... I 0 1-1m is explained by band filling under electrical injection. A sublinear

Monolithic multi-color light emission/detection device

DOEpatents

Wanlass, M.W.

1995-02-21

A single-crystal, monolithic, tandem, multi-color optical transceiver device is described, including (a) an InP substrate having upper and lower surfaces, (b) a first junction on the upper surface of the InP substrate, (c) a second junction on the first junction. The first junction is preferably GaInAsP of defined composition, and the second junction is preferably InP. The two junctions are lattice matched. The second junction has a larger energy band gap than the first junction. Additional junctions having successively larger energy band gaps may be included. The device is capable of simultaneous and distinct multi-color emission and detection over a single optical fiber. 5 figs.

Thermovoltaic semiconductor device including a plasma filter

DOEpatents

Baldasaro, Paul F.

1999-01-01

A thermovoltaic energy conversion device and related method for converting thermal energy into an electrical potential. An interference filter is provided on a semiconductor thermovoltaic cell to pre-filter black body radiation. The semiconductor thermovoltaic cell includes a P/N junction supported on a substrate which converts incident thermal energy below the semiconductor junction band gap into electrical potential. The semiconductor substrate is doped to provide a plasma filter which reflects back energy having a wavelength which is above the band gap and which is ineffectively filtered by the interference filter, through the P/N junction to the source of radiation thereby avoiding parasitic absorption of the unusable portion of the thermal radiation energy.

Fabrication of wide-band-gap Mg{sub x}Zn{sub 1-x}O quasi-ternary alloys by molecular-beam epitaxy

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

Tanaka, Hiroshi; Fujita, Shigeo; Fujita, Shizuo

2005-05-09

A series of wurtzite MgZnO quasi-ternary alloys, which consist of wurtzite MgO/ZnO superlattices, were grown by molecular-beam epitaxy on sapphire substrates. By changing the thicknesses of ZnO layers and/or of MgO layers of the superlattice, the band-gap energy was artificially tuned from 3.30 to 4.65 eV. The highest band gap, consequently realized by the quasi-ternary alloy, was larger than that of the single MgZnO layer, we have ever reported, keeping the wurtzite structure. The band gap of quasi-ternary alloys was well analyzed by the Kronig-Penny model supposing the effective masses of wurtzite MgO as 0.30m{sub 0} and (1-2)m{sub 0} formore » electrons and holes, respectively.« less

Thickness dependent band gap of Bi{sub 2-x}Sb{sub x}Te{sub 3} (x = 0, 0.05, 0.1) thin films

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

Patel, M. M.; Soni, P. H., E-mail: phsoni-msu@yahoo.com; Desai, C. F.

2016-05-23

Thin films of Bi{sub 2}Te{sub 3}(Sb) were prepared on alkali halide crystal substrates. Sb content and the film thickness were varied. Bi{sub 2}Te{sub 3} is a narrow gap semiconductor. Bi-Sb is a continuous solid solution of substitutional type and Sb therefore was used to test its effect on the band gap. The film thickness variation was also taken up. The infra-red absorption spectra were used in the wave number range 400 cm{sup −1} to 4000 cm{sup −1}. The band gap obtained from the absorption data was found to increase with decreasing thickness since the thickness range used was from 30more » nm to 170 nm. This is a range corresponding to nanostructures and hence quantum size effect was observed as expected. The band gap also exhibited Sb content dependence. The detail results are have been reported and explained.« less

A Rapid Method for Deposition of Sn-Doped GaN Thin Films on Glass and Polyethylene Terephthalate Substrates

NASA Astrophysics Data System (ADS)

Pat, Suat; Özen, Soner; Korkmaz, Şadan

2018-01-01

We report the influence of Sn doping on microstructure, surface, and optical properties of GaN thin films deposited on glass and polyethylene terephthalate (PET) substrate. Sn-doped GaN thin films have been deposited by thermionic vacuum arc (TVA) at low temperature. TVA is a rapid deposition technology for thin film growth. Surface and optical properties of the thin films were presented. Grain size, height distribution, roughness values were determined. Grain sizes were calculated as 20 nm and 13 nm for glass and PET substrates, respectively. Nano crystalline forms were shown by field emission scanning electron microscopy. Optical band gap values were determined by optical methods and photoluminescence measurement. The optical band gap values of Sn doped GaN on glass and PET were determined to be approximately ˜3.40 eV and ˜3.47 eV, respectively. As a result, TVA is a rapid and low temperature deposition technology for the Sn doped GaN deposited on glass and PET substrate.

Graphene-insulator-semiconductor capacitors as superior test structures for photoelectric determination of semiconductor devices band diagrams

NASA Astrophysics Data System (ADS)

Piskorski, K.; Passi, V.; Ruhkopf, J.; Lemme, M. C.; Przewlocki, H. M.

2018-05-01

We report on the advantages of using Graphene-Insulator-Semiconductor (GIS) instead of Metal-Insulator-Semiconductor (MIS) structures in reliable and precise photoelectric determination of the band alignment at the semiconductor-insulator interface and of the insulator band gap determination. Due to the high transparency to light of the graphene gate in GIS structures large photocurrents due to emission of both electrons and holes from the substrate and negligible photocurrents due to emission of carriers from the gate can be obtained, which allows reliable determination of barrier heights for both electrons, Ee and holes, Eh from the semiconductor substrate. Knowing the values of both Ee and Eh allows direct determination of the insulator band gap EG(I). Photoelectric measurements were made of a series of Graphene-SiO2-Si structures and an example is shown of the results obtained in sequential measurements of the same structure giving the following barrier height values: Ee = 4.34 ± 0.01 eV and Eh = 4.70 ± 0.03 eV. Based on this result and results obtained for other structures in the series we conservatively estimate the maximum uncertainty of both barrier heights estimations at ± 0.05 eV. This sets the SiO2 band gap estimation at EG(I) = 7.92 ± 0.1 eV. It is shown that widely different SiO2 band gap values were found by research groups using various determination methods. We hypothesize that these differences are due to different sensitivities of measurement methods used to the existence of the SiO2 valence band tail.

The shift of optical band gap in W-doped ZnO with oxygen pressure and doping level

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

Chu, J.; Chongqing Institute of Green and Intelligent Technology, Chinese Academy of Science, Chongqing 400714; Peng, X.Y.

2014-06-01

Highlights: • CVD–PLD co-deposition technique was used. • Better crystalline of the ZnO samples causes the redshift of the optical band gap. • Higher W concentration induces blueshift of the optical band gap. - Abstract: Tungsten-doped (W-doped) zinc oxide (ZnO) nanostructures were synthesized on quartz substrates by pulsed laser and hot filament chemical vapor co-deposition technique under different oxygen pressures and doping levels. We studied in detail the morphological, structural and optical properties of W-doped ZnO by SEM, XPS, Raman scattering, and optical transmission spectra. A close correlation among the oxygen pressure, morphology, W concentrations and the variation of bandmore » gaps were investigated. XPS and Raman measurements show that the sample grown under the oxygen pressure of 2.7 Pa has the maximum tungsten concentration and best crystalline structure, which induces the redshift of the optical band gap. The effect of W concentration on the change of morphology and shift of optical band gap was also studied for the samples grown under the fixed oxygen pressure of 2.7 Pa.« less

Surface acoustic waves in acoustic superlattice lithium niobate coated with a waveguide layer

NASA Astrophysics Data System (ADS)

Yang, G. Y.; Du, J. K.; Huang, B.; Jin, Y. A.; Xu, M. H.

2017-04-01

The effects of the waveguide layer on the band structure of Rayleigh waves are studied in this work based on a one-dimensional acoustic superlattice lithium niobate substrate coated with a waveguide layer. The present phononic structure is formed by the periodic domain-inverted single crystal that is the Z-cut lithium niobate substrate with a waveguide layer on the upper surface. The plane wave expansion method (PWE) is adopted to determine the band gap behavior of the phononic structure and validated by the finite element method (FEM). The FEM is also used to investigate the transmission of Rayleigh waves in the phononic structure with the interdigital transducers by means of the commercial package COMSOL. The results show that, although there is a homogeneous waveguide layer on the surface, the band gap of Rayleigh waves still exist. It is also found that increasing the thickness of the waveguide layer, the band width narrows and the band structure shifts to lower frequency. The present approach can be taken as an efficient tool in designing of phononic structures with waveguide layer.

Tailoring topological states in silicene using different halogen-passivated Si(111) substrates

NASA Astrophysics Data System (ADS)

Derakhshan, Vahid; Moghaddam, Ali G.; Ceresoli, Davide

2018-03-01

We investigate the band structure and topological phases of silicene embedded on halogenated Si(111) surface using density functional theory calculations. Our results show that the Dirac character of low-energy excitations in silicene is almost preserved in the presence of a silicon substrate passivated by various halogens. Nevertheless, the combined effects of symmetry breaking due to both direct and van der Waals interactions between silicene and the substrate, charge transfer from suspended silicene into the substrate, and, finally, the hybridization which leads to the charge redistribution result in a gap in the spectrum of the embedded silicene. We further take the spin-orbit interaction into account and obtain the resulting modification in the gap. The energy gaps with and without spin-orbit coupling vary significantly when different halogen atoms are used for the passivation of the Si surface, and for the case of iodine, they become on the order of 100 meV. To examine the topological properties, we calculate the projected band structure of silicene from which the Berry curvature and Z2 invariant based on the evolution of Wannier charge centers are obtained. As a key finding, it is shown that silicene on halogenated Si substrates has a topological insulating state which can survive even at room temperature for the substrates with iodine and bromine at the surface. Therefore, these results suggest that we can have a reliable, stable, and robust silicene-based two-dimensional topological insulator using the considered substrates.

Fabrication of photonic band gap materials

DOEpatents

Constant, Kristen; Subramania, Ganapathi S.; Biswas, Rana; Ho, Kai-Ming

2002-01-15

A method for forming a periodic dielectric structure exhibiting photonic band gap effects includes forming a slurry of a nano-crystalline ceramic dielectric or semiconductor material and monodisperse polymer microspheres, depositing a film of the slurry on a substrate, drying the film, and calcining the film to remove the polymer microspheres therefrom. The film may be cold-pressed after drying and prior to calcining. The ceramic dielectric or semiconductor material may be titania, and the polymer microspheres may be polystyrene microspheres.

New family of graphene-based organic semiconductors: An investigation of photon-induced electronic structure manipulation in half-fluorinated graphene

NASA Astrophysics Data System (ADS)

Walter, Andrew L.; Sahin, Hasan; Kang, Jun; Jeon, Ki-Joon; Bostwick, Aaron; Horzum, Seyda; Moreschini, Luca; Chang, Young Jun; Peeters, Francois M.; Horn, Karsten; Rotenberg, Eli

2016-02-01

The application of graphene to electronic and optoelectronic devices is limited by the absence of reliable semiconducting variants of this material. A promising candidate in this respect is graphene oxide, with a band gap on the order of ˜5 eV , however, this has a finite density of states at the Fermi level. Here, we examine the electronic structure of three variants of half -fluorinated carbon on Sic(0001), i.e., the (6 √{3 }×6 √{3 } ) R 30∘ C/SiC "buffer layer," graphene on this (6 √{3 }×6 √{3 } ) R 30∘ C/SiC buffer layer, and graphene decoupled from the SiC substrate by hydrogen intercalation. Using angle-resolved photoemission, core level photoemission, and x-ray absorption, we show that the electronic, chemical, and physical structure of all three variants is remarkably similar, exhibiting a large band gap and a vanishing density of states at the Fermi level. These results are explained in terms of first-principles calculations. This material thus appears very suitable for applications, even more so since it is prepared on a processing-friendly substrate. We also investigate two separate UV photon-induced modifications of the electronic structure that transform the insulating samples (6.2-eV band gap) into semiconducting (˜2.5 -eV band gap) and metallic regions, respectively.

The use of nanomaterials for mass spectrometry can be uplifting for analyte detection

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

Li, J.; Lipson, R. H.

2014-03-31

Surface-Assisted Laser Desorption Ionization (SALDI) involves desorbing and ionizing analyte molecules from a nanoporous substrate by laser irradiation for detection in a mass spectrometer. In this work experiments were designed to better understand the mechanisms governing desorption and ionization for Desorption Ionization On Silicon (DIOS), a variant of SALDI which uses porous silicon (pSi) as a substrate. Experiments are also reported for other nanoporous semiconducting materials (WO{sub 3}, TiO{sub 2}) which exhibit very similar behaviors; specifically, that both protonated analyte ions and analyte radical cations can be generated with relative intensities that depend on the position of the incident lasermore » focus relative to substrate surface. While thermal desorption appears to be important, preliminary evidence suggests that the ionization mechanism leading to protonated analytes involves in part electrons and holes formed when photoexciting the substrate above its electronic band gap, and the presence of defect states within the band gap. Radical cation formation appears to be driven in part by electron transfer due to the large electron affinity of each substrate used in this work.« less

Strain induced chemical potential difference between monolayer graphene sheets.

PubMed

Zhang, Yupeng; Luo, Chengzhi; Li, Weiping; Pan, Chunxu

2013-04-07

Monolayer graphene sheets were deposited on a transparent and flexible polydimethylsiloxane (PDMS) substrate, and a tensile strain was loaded by stretching the substrate in one direction. It was found that an electric potential difference between stretched and static monolayer graphene sheets reached 8 mV when the strain was 5%. Theoretical calculations for the band structure and total energy revealed an alternative way to experimentally tune the band gap of monolayer graphene, and induce the generation of electricity.

An investigation of the optical constants and band gap of chromium disilicide

NASA Technical Reports Server (NTRS)

Bost, M. C.; Mahan, John E.

1988-01-01

Optical properties of polycrystalline thin films of CrSi2 grown by the diffusion couple method on silicon substrates were investigated. An analysis of the energy dependence of the absorption coefficient indicates that the material is an indirect forbidden gap semiconductor with a band-gap value of slightly less than 0.35 eV. This result was confirmed by measurements of the temperature dependence of the intrinsic conductivity. The value of the bandgap corresponds well to an important window of transparency in the earth's atmosphere (3-5 microns), which makes the material of potential interest for IR detector applications.

Thickness dependence of optical properties of amorphous indium oxide thin films deposited by reactive evaporation

NASA Astrophysics Data System (ADS)

Uluta, K.; Deer, D.; Skarlatos, Y.

2006-08-01

The electrical conductivity and absorption coefficient of amorphous indium oxide thin films, thermally evaporated on glass substrates at room temperature, were evaluated. For direct transitions the variation of the optical band gap with thickness was determined and this variation was supposed to appear due to the variation of localized gap states, whereas the variation of conductivity with thickness was supposed to be due to the variation of carrier concentration. We attribute the variation of absorption coefficient with thickness to the variation of optical band gap energy rather than optical interference.

Graphene symmetry-breaking with molecular adsorbates: modeling and experiment

NASA Astrophysics Data System (ADS)

Groce, M. A.; Hawkins, M. K.; Wang, Y. L.; Cullen, W. G.; Einstein, T. L.

2012-02-01

Graphene's structure and electronic properties provide a framework for understanding molecule-substrate interactions and developing techniques for band gap engineering. Controlled deposition of molecular adsorbates can create superlattices which break the degeneracy of graphene's two-atom unit cell, opening a band gap. We simulate scanning tunneling microscopy and spectroscopy measurements for a variety of organic molecule/graphene systems, including pyridine, trimesic acid, and isonicotinic acid, based on density functional theory calculations using VASP. We also compare our simulations to ultra-high vacuum STM and STS results.

Residual stress dependant anisotropic band gap of various (hkl) oriented BaI{sub 2} films

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

Kumar, Pradeep; Gulia, Vikash; Vedeshwar, Agnikumar G., E-mail: agni@physics.du.ac.in, E-mail: agvedeshwar@gmail.com

2013-11-21

The thermally evaporated layer structured BaI{sub 2} grows in various completely preferred (hkl) film orientations with different growth parameters like film thickness, deposition rate, substrate temperature, etc. which were characterized by structural, morphological, and optical absorption measurements. Structural analysis reveals the strain in the films and the optical absorption shows a direct type band gap. The varying band gaps of these films were found to scale linearly with their strain. The elastic moduli and other constants were also calculated using Density Functional Theory (DFT) formalism implemented in WIEN2K code for converting the strain into residual stress. Films of different sixmore » (hkl) orientations show stress free anisotropic band gaps (2.48–3.43 eV) and both positive and negative pressure coefficients. The negative and positive pressure coefficients of band gap are attributed to the strain in I-I (or Ba-Ba or both) and Ba-I distances along [hkl], respectively. The calculated band gaps are also compared with those experimentally determined. The average pressure coefficient of band gap of all six orientations (−0.071 eV/GPa) found to be significantly higher than that calculated (−0.047 eV/GPa) by volumetric pressure dependence. Various these issues have been discussed with consistent arguments. The electron effective mass m{sub e}{sup *}=0.66m{sub 0} and the hole effective mass m{sub h}{sup *}=0.53m{sub 0} have been determined from the calculated band structure.« less

Thermally Strained Band Gap Engineering of Transition-Metal Dichalcogenide Bilayers with Enhanced Light-Matter Interaction toward Excellent Photodetectors.

PubMed

Wang, Sheng-Wen; Medina, Henry; Hong, Kuo-Bin; Wu, Chun-Chia; Qu, Yindong; Manikandan, Arumugam; Su, Teng-Yu; Lee, Po-Tsung; Huang, Zhi-Quan; Wang, Zhiming; Chuang, Feng-Chuan; Kuo, Hao-Chung; Chueh, Yu-Lun

2017-09-26

Integration of strain engineering of two-dimensional (2D) materials in order to enhance device performance is still a challenge. Here, we successfully demonstrated the thermally strained band gap engineering of transition-metal dichalcogenide bilayers by different thermal expansion coefficients between 2D materials and patterned sapphire structures, where MoS 2 bilayers were chosen as the demonstrated materials. In particular, a blue shift in the band gap of the MoS 2 bilayers can be tunable, displaying an extraordinary capability to drive electrons toward the electrode under the smaller driven bias, and the results were confirmed by simulation. A model to explain the thermal strain in the MoS 2 bilayers during the synthesis was proposed, which enables us to precisely predict the band gap-shifted behaviors on patterned sapphire structures with different angles. Furthermore, photodetectors with enhancement of 286% and 897% based on the strained MoS 2 on cone- and pyramid-patterned sapphire substrates were demonstrated, respectively.

Spherical silicon-shell photonic band gap structures fabricated by laser-assisted chemical vapor deposition

NASA Astrophysics Data System (ADS)

Wang, H.; Yang, Z. Y.; Lu, Y. F.

2007-02-01

Laser-assisted chemical vapor deposition was applied in fabricating three-dimensional (3D) spherical-shell photonic band gap (PBG) structures by depositing silicon shells covering silica particles, which had been self-assembled into 3D colloidal crystals. The colloidal crystals of self-assembled silica particles were formed on silicon substrates using the isothermal heating evaporation approach. A continuous wave Nd:YAG laser (1064nm wavelength) was used to deposit silicon shells by thermally decomposing disilane gas. Periodic silicon-shell/silica-particle PBG structures were obtained. By removing the silica particles enclosed in the silicon shells using hydrofluoric acid, hollow spherical silicon-shell arrays were produced. This technique is capable of fabricating structures with complete photonic band gaps, which is predicted by simulations with the plane wave method. The techniques developed in this study have the potential to flexibly engineer the positions of the PBGs by varying both the silica particle size and the silicon-shell thickness. Ellipsometry was used to investigate the specific photonic band gaps for both structures.

Novel band structures in silicene on monolayer zinc sulfide substrate.

PubMed

Li, Sheng-shi; Zhang, Chang-wen; Yan, Shi-shen; Hu, Shu-jun; Ji, Wei-xiao; Wang, Pei-ji; Li, Ping

2014-10-01

Opening a sizable band gap in the zero-gap silicene without lowering the carrier mobility is a key issue for its application in nanoelectronics. Based on first-principles calculations, we find that the interaction energies are in the range of -0.09‒0.3 eV per Si atom, indicating a weak interaction between silicene and ZnS monolayer and the ABZn stacking is the most stable pattern. The band gap of silicene can be effectively tuned ranging from 0.025 to 1.05 eV in silicene and ZnS heterobilayer (Si/ZnS HBL). An unexpected indirect-direct band gap crossover is also observed in HBLs, dependent on the stacking pattern, interlayer spacing and external strain effects on silicene. Interestingly, the characteristics of Dirac cone with a nearly linear band dispersion relation of silicene can be preserved in the ABS pattern which is a metastable state, accompanied by a small electron effective mass and thus the carrier mobility is expected not to degrade much. These provide a possible way to design effective FETs out of silicene on a ZnS monolayer.

Structure and optical band gaps of (Ba,Sr)SnO{sub 3} films grown by molecular beam epitaxy

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

Schumann, Timo; Raghavan, Santosh; Ahadi, Kaveh

2016-09-15

Epitaxial growth of (Ba{sub x}Sr{sub 1−x})SnO{sub 3} films with 0 ≤ x ≤ 1 using molecular beam epitaxy is reported. It is shown that SrSnO{sub 3} films can be grown coherently strained on closely lattice and symmetry matched PrScO{sub 3} substrates. The evolution of the optical band gap as a function of composition is determined by spectroscopic ellipsometry. The direct band gap monotonously decreases with x from to 4.46 eV (x = 0) to 3.36 eV (x = 1). A large Burnstein-Moss shift is observed with La-doping of BaSnO{sub 3} films. The shift corresponds approximately to the increase in Fermi level and is consistent with the low conduction band mass.

Multi-junction, monolithic solar cell using low-band-gap materials lattice matched to GaAs or Ge

DOEpatents

Olson, Jerry M.; Kurtz, Sarah R.; Friedman, Daniel J.

2001-01-01

A multi-junction, monolithic, photovoltaic solar cell device is provided for converting solar radiation to photocurrent and photovoltage with improved efficiency. The solar cell device comprises a plurality of semiconductor cells, i.e., active p/n junctions, connected in tandem and deposited on a substrate fabricated from GaAs or Ge. To increase efficiency, each semiconductor cell is fabricated from a crystalline material with a lattice constant substantially equivalent to the lattice constant of the substrate material. Additionally, the semiconductor cells are selected with appropriate band gaps to efficiently create photovoltage from a larger portion of the solar spectrum. In this regard, one semiconductor cell in each embodiment of the solar cell device has a band gap between that of Ge and GaAs. To achieve desired band gaps and lattice constants, the semiconductor cells may be fabricated from a number of materials including Ge, GaInP, GaAs, GaInAsP, GaInAsN, GaAsGe, BGaInAs, (GaAs)Ge, CuInSSe, CuAsSSe, and GaInAsNP. To further increase efficiency, the thickness of each semiconductor cell is controlled to match the photocurrent generated in each cell. To facilitate photocurrent flow, a plurality of tunnel junctions of low-resistivity material are included between each adjacent semiconductor cell. The conductivity or direction of photocurrent in the solar cell device may be selected by controlling the specific p-type or n-type characteristics for each active junction.

Band gap tuning of epitaxial SrTiO{sub 3-δ}/Si(001) thin films through strain engineering

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

Cottier, Ryan J.; Steinle, Nathan A.; Currie, Daniel A.

2015-11-30

We investigate the effect of strain and oxygen vacancies (V{sub O}) on the crystal and optical properties of oxygen deficient, ultra-thin (4–30 nm) films of SrTiO{sub 3-δ} (STO) grown heteroepitaxially on p-Si(001) substrates by molecular beam epitaxy. We demonstrate that STO band gap tuning can be achieved through strain engineering and show that the energy shift of the direct energy gap transition of SrTiO{sub 3-δ}/Si films has a quantifiable dimensional and doping dependence that correlates well with the changes in crystal structure.

Investigation of light induced effect on density of states of Pb doped CdSe thin films

NASA Astrophysics Data System (ADS)

Kaur, Jagdish; Singh, Baljinder; Tripathi, S. K.

2016-05-01

Thin films of Pb doped CdSe are deposited on the glass substrates by thermal evaporation technique using inert gas condensation method. The prepared thin films are light soaked under vacuum of 2×10-3 mbar for two hour. The absorption coefficient in the sub-band gap region has been studied using Constant Photocurrent Method (CPM). The absorption coefficient in the sub-band gap region follows an exponential Urbach tail. The value of Urbach energy and number density of defect states have been calculated from the absorption coefficient in the sub-band gap region and found to increase after light soaking treatment. The energy distribution of the occupied density of states below Fermi level has been evaluated using derivative procedure of the absorption coefficient.

Effect of thermal annealing on structure and optical band gap of amorphous Se{sub 72}Te{sub 25}Sb{sub 3} thin films

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

Dwivedi, D. K., E-mail: dwivedidkphys@rediffmail.com; Pathak, H. P., E-mail: dwivedidkphys@rediffmail.com; Shukla, Nitesh

2014-04-24

Thin films of a−Se{sub 72}Te{sub 25}Sb{sub 3} were prepared by vacuum evaporation technique in a base pressure of 10{sup −6} Torr on to well cleaned glass substrate. a−Se{sub 72}Te{sub 25}Sb{sub 3} thin films were annealed at different temperatures below their crystallization temperatures for 2h. The structural analysis of the films has been investigated using X-ray diffraction technique. The optical band gap of as prepared and annealed films as a function of photon energy in the wavelength range 400–1100 nm has been studied. It has been found that the optical band gap decreases with increasing annealing temperatures in the present system.

Origin of band gaps in graphene on hexagonal boron nitride

PubMed Central

Jung, Jeil; DaSilva, Ashley M.; MacDonald, Allan H.; Adam, Shaffique

2015-01-01

Recent progress in preparing well-controlled two-dimensional van der Waals heterojunctions has opened up a new frontier in materials physics. Here we address the intriguing energy gaps that are sometimes observed when a graphene sheet is placed on a hexagonal boron nitride substrate, demonstrating that they are produced by an interesting interplay between structural and electronic properties, including electronic many-body exchange interactions. Our theory is able to explain the observed gap behaviour by accounting first for the structural relaxation of graphene’s carbon atoms when placed on a boron nitride substrate, and then for the influence of the substrate on low-energy π-electrons located at relaxed carbon atom sites. The methods we employ can be applied to many other van der Waals heterojunctions. PMID:25695638

Effect of Ti Substrate Ion Implantation on the Physical Properties of Anodic TiO2 Nanotubes

NASA Astrophysics Data System (ADS)

Jedi-Soltanabadi, Zahra; Ghoranneviss, Mahmood; Ghorannevis, Zohreh; Akbari, Hossein

2018-03-01

The influence of nitrogen-ion implantation on the titanium (Ti) surface is studied. The nontreated Ti and the Ti treated with ion implantation were anodized in an ethylene-glycol-based electrolyte solution containing 0.3 wt% ammonium fluoride (NH4F) and 3 vol% deionized (DI) water at a potential of 60 V for 1 h at room temperature. The current density during the growth of the TiO2 nanotubes was monitored in-situ. The surface roughnesses of the Ti substrates before and after the ion implantation were investigated with atomic force microscopy (AFM). The surface roughness was lower for the treated Ti substrate. The morphology of the anodic TiO2 nanotubes was studied by using field-emission scanning electron microscopy (FESEM). Clearly, the titanium nanotubes grown on the treated substrate were longer. In addition, some ribs were observed on their walls. The optical band gap of the anodic TiO2 nanotubes was characterized by using a diffuse reflection spectral (DRS) analysis. The anodic TiO2 nanotubes grown on the treated Ti substrate revealed a band gap energy of approximately 3.02 eV.

Nonreciprocity of spin waves in magnonic crystals created by surface acoustic waves in structures with yttrium iron garnet

NASA Astrophysics Data System (ADS)

Kryshtal, R. G.; Medved, A. V.

2015-12-01

Experimental results of investigations of nonreciprocity for surface magnetostatic spin waves (SMSW) in the magnonic crystal created by surface acoustic waves (SAW) in yttrium iron garnet films on a gallium gadolinium garnet substrate as without metallization and with aluminum films with different electrical conductivities (thicknesses) are presented. In structures without metallization, the frequency of magnonic gaps is dependent on mutual directions of propagation of the SAW and SMSW, showing nonreciprocal properties for SMSW in SAW - magnonic crystals even with the symmetrical dispersion characteristic. In metalized SAW - magnonic crystals the shift of the magnonic band gaps frequencies at the inversion of the biasing magnetic field was observed. The frequencies of magnonic band gaps as functions of SAW frequency are presented. Measured dependencies, showing the decrease of magnonic gaps frequency and the expansion of the magnonic band gap width with the decreasing of the metal film conductivity are given. Such nonreciprocal properties of the SAW - magnonic crystals are promising for signal processing in the GHz range.

Enhancement of gaps in thin graphitic films for heterostructure formation

NASA Astrophysics Data System (ADS)

Hague, J. P.

2014-04-01

There are a large number of atomically thin graphitic films with a structure similar to that of graphene. These films have a spread of band gaps relating to their ionicity and, also, to the substrate on which they are grown. Such films could have a range of applications in digital electronics, where graphene is difficult to use. I use the dynamical cluster approximation to show how electron-phonon coupling between film and substrate can enhance these gaps in a way that depends on the range and strength of the coupling. It is found that one of the driving factors in this effect is a charge density wave instability for electrons on a honeycomb lattice that can open a gap in monolayer graphene. The enhancement at intermediate coupling is sufficiently large that spatially varying substrates and superstrates could be used to create heterostructures in thin graphitic films with position-dependent electron-phonon coupling and gaps, leading to advanced electronic components.

A detailed analysis of the energy levels configuration existing in the band gap of supersaturated silicon with titanium for photovoltaic applications

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

Pérez, E.; Dueñas, S.; Castán, H.

2015-12-28

The energy levels created in supersaturated n-type silicon substrates with titanium implantation in the attempt to create an intermediate band in their band-gap are studied in detail. Two titanium ion implantation doses (10{sup 13 }cm{sup -2} and 10{sup 14 }cm{sup -2}) are studied in this work by conductance transient technique and admittance spectroscopy. Conductance transients have been measured at temperatures of around 100 K. The particular shape of these transients is due to the formation of energy barriers in the conduction band, as a consequence of the band-gap narrowing induced by the high titanium concentration. Moreover, stationary admittance spectroscopy results suggest the existencemore » of different energy level configuration, depending on the local titanium concentration. A continuum energy level band is formed when titanium concentration is over the Mott limit. On the other hand, when titanium concentration is lower than the Mott limit, but much higher than the donor impurity density, a quasi-continuum energy level distribution appears. Finally, a single deep center appears for low titanium concentration. At the n-type substrate, the experimental results obtained by means of thermal admittance spectroscopy at high reverse bias reveal the presence of single levels located at around E{sub c}-425 and E{sub c}-275 meV for implantation doses of 10{sup 13 }cm{sup −2} and 10{sup 14 }cm{sup −2}, respectively. At low reverse bias voltage, quasi-continuously distributed energy levels between the minimum of the conduction bands, E{sub c} and E{sub c}-450 meV, are obtained for both doses. Conductance transients detected at low temperatures reveal that the high impurity concentration induces a band gap narrowing which leads to the formation of a barrier in the conduction band. Besides, the relationship between the activation energy and the capture cross section values of all the energy levels fits very well to the Meyer-Neldel rule. As it is known, the Meyer-Neldel rule typically appears in processes involving multiple excitations, like carrier capture and emission in deep levels, and it is generally observed in disordered systems. The obtained Meyer-Neldel energy value, 15.19 meV, is very close to the value obtained in multicrystalline silicon samples contaminated with iron (13.65 meV), meaning that this energy value could be associated to the phonons energy in this kind of substrates.« less

Pre and post annealed low cost ZnO nanorods on seeded substrate

NASA Astrophysics Data System (ADS)

Nordin, M. N.; Kamil, Wan Maryam Wan Ahmad

2017-05-01

We wish to report the photonic band gap (where light is confined) in low cost ZnO nanorods created by two-step chemical bath deposition (CBD) method where the glass substrates were pre-treated with two different seeding thicknesses, 100 nm (sample a) and 150 nm (sample b), of ZnO using radio frequency magnetron sputtering. Then the samples were annealed at 600°C for 1 hour in air before and after immersed into the chemical solution for CBD process. To observe the presence of photonic band gap on the sample, UV-Visible-NIR spectrophotometer was utilized and showed that sample a and sample b both achieved wide band gap between 240 nm and 380 nm, within the UV range for typical ZnO, however sample b provided a better light confinement that may be attributed by the difference in average nanorods size. Field Emission Scanning Electron Microscope (FESEM) of the samples revealed better oriented nanorods uniformly scattered across the surface when substrates were coated with 100 nm of seeding layer whilst the 150 nm seeding sample showed a poor distribution of nanorods probably due to defects in the sample. Finally, the crystal structure of the ZnO crystallite is revealed by employing X-ray diffraction and both samples showed polycrystalline with hexagonal wurtzite structure that matched with JCPDS No. 36-1451. The 100 nm pre-seeded samples was recognized to have bigger average crystallite size, however sample b was suggested as having a higher crystalline quality. In conclusion, the sample b is recognized as a better candidate for future photonic applications due to its more apparent of photonic band gap and this may be contributed by more random distribution of the nanorods as observed in FESEM images as well as higher crystalline quality as suggested from XRD measurements.

Band gap and mobility of epitaxial perovskite BaSn1 -xHfxO3 thin films

NASA Astrophysics Data System (ADS)

Shin, Juyeon; Lim, Jinyoung; Ha, Taewoo; Kim, Young Mo; Park, Chulkwon; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

2018-02-01

A wide band-gap perovskite oxide BaSn O3 is attracting much attention due to its high electron mobility and oxygen stability. On the other hand, BaHf O3 was recently reported to be an effective high-k gate oxide. Here, we investigate the band gap and mobility of solid solutions of BaS n1 -xH fxO3 (x =0 -1 ) (BSHO) as a basis to build advanced perovskite oxide heterostructures. All the films were epitaxially grown on MgO substrates using pulsed laser deposition. Density functional theory calculations confirmed that Hf substitution does not create midgap states while increasing the band gap. From x-ray diffraction and optical transmittance measurements, the lattice constants and the band-gap values are significantly modified by Hf substitution. We also measured the transport properties of n -type La-doped BSHO films [(Ba ,La ) (Sn ,Hf ) O3 ] , investigating the feasibility of modulation doping in the BaSn O3/BSHO heterostructures. The Hall measurement data revealed that, as the Hf content increases, the activation rate of the La dopant decreases and the scattering rate of the electrons sharply increases. These properties of BSHO films may be useful for applications in various heterostructures based on the BaSn O3 system.

InGaAsBi alloys on InP for efficient near- and mid-infrared light emitting devices

NASA Astrophysics Data System (ADS)

Jin, Shirong; John Sweeney, Stephen

2013-12-01

We present the band parameters such as band gap, spin-orbit splitting energy, band offsets and strain of InGaAsBi on InP based on recent experimental data. It is shown that InGaAsBi is promising for near- and mid-infrared photonic devices operating from 0.3-0.8 eV (1.5-4 μm) on conventional InP substrates. We also show how bismuth may be used to form alloys whereby the spin-orbit splitting energy (ΔSO) is large and controllable and can, for example, be made larger than the band gap (Eg) thereby providing a means of suppressing non-radiative hot-hole producing Auger recombination and inter-valence band absorption both involving the spin-orbit band. This is expected to improve the high-temperature performance and thermal stability of light emitting devices.

Energy band-gap calculations of short-period (ZnTe)m(ZnSe)n and (ZnS)m(ZnSe)n strained-layer superlattices

NASA Astrophysics Data System (ADS)

Wu, Yi-hong; Fujita, Shizuo; Fujita, Shigeo

1990-01-01

We report on the calculations of energy band gaps based on the semiempirical tight-binding model for short-period (ZnTe)m(ZnSe)n and (ZnS)m(ZnSe)n strained-layer superlattices (SLSs). During the calculation, much attention has been paid to the modeling of strain effect. It is found that (ZnTe)m(ZnSe)n superlattices grown on InAs, InP, and GaAs substrates show very different electronic properties from each other, which is consistent with experimental results now available. Assuming that the emission observed for (ZnTe)m(ZnSe)n SLS originates from intrinsic luminescence, we obtain an unstrained valence-band offset of 1.136±0.1 eV for this superlattice. On the other hand, the band gap of (ZnS)m(ZnSe)n superlattice grown coherently on GaP is found to exhibit a much stronger structure dependence than that grown coherently on GaAs. The difference of energy gap between superlattice with equal monolayers (m=n) and the corresponding alloy with equal chalcogenide composition is also discussed.

Narrow energy band gap gallium arsenide nitride semi-conductors and an ion-cut-synthesis method for producing the same

DOEpatents

Weng, Xiaojun; Goldman, Rachel S.

2006-06-06

A method for forming a semi-conductor material is provided that comprises forming a donor substrate constructed of GaAs, providing a receiver substrate, implanting nitrogen into the donor substrate to form an implanted layer comprising GaAs and nitrogen. The implanted layer is bonded to the receiver substrate and annealed to form GaAsN and nitrogen micro-blisters in the implanted layer. The micro-blisters allow the implanted layer to be cleaved from the donor substrate.

Band-gap bowing and p-type doping of (Zn, Mg, Be)O wide-gap semiconductor alloys: a first-principles study

NASA Astrophysics Data System (ADS)

Shi, H.-L.; Duan, Y.

2008-12-01

Using a first-principles band-structure method and a special quasirandom structure (SQS) approach, we systematically calculate the band gap bowing parameters and p-type doping properties of (Zn, Mg, Be)O related random ternary and quaternary alloys. We show that the bowing parameters for ZnBeO and MgBeO alloys are large and dependent on composition. This is due to the size difference and chemical mismatch between Be and Zn(Mg) atoms. We also demonstrate that adding a small amount of Be into MgO reduces the band gap indicating that the bowing parameter is larger than the band-gap difference. We select an ideal N atom with lower p atomic energy level as dopant to perform p-type doping of ZnBeO and ZnMgBeO alloys. For N doped in ZnBeO alloy, we show that the acceptor transition energies become shallower as the number of the nearest neighbor Be atoms increases. This is thought to be because of the reduction of p- d repulsion. The NO acceptor transition energies are deep in the ZnMgBeO quaternary alloy lattice-matched to GaN substrate due to the lower valence band maximum. These decrease slightly as there are more nearest neighbor Mg atoms surrounding the N dopant. The important natural valence band alignment between ZnO, MgO, BeO, ZnBeO, and ZnMgBeO quaternary alloy is also investigated.

Design of band-notched antenna with DG-CEBG

NASA Astrophysics Data System (ADS)

Jaglan, Naveen; Kanaujia, Binod Kumar; Gupta, Samir Dev; Srivastava, Shweta

2018-01-01

Ultra-wideband (UWB) disc monopole antenna with crescent shaped slot for double band-notched features is presented. Planned antenna discards worldwide interoperability for microwave access (WiMAX) band (3.3-3.6 GHz) and wireless local area network (WLAN) band (5-6 GHz). Defected ground compact electromagnetic band gap (DG-CEBG) designs are used to accomplish band notches in WiMAX and WLAN bands. Defected ground planes are utilised to achieve compactness in electromagnetic band gap (EBG) structures. The proposed WiMAX and WLAN DG-CEBG designs show a compactness of around 46% and 50%, respectively, over mushroom EBG structures. Parametric analyses of DG-CEBG design factors are carried out to control the notched frequencies. Stepwise notch transition from upper to lower frequencies is presented with incremental inductance augmentation. The proposed antenna is made-up on low-cost FR-4 substrate of complete extents as (42 × 50 × 1.6) mm3.Fabricated sample antenna shows excellent consistency in simulated and measured outcomes.

Growth and Performance of GaInP/A1GaInP Visible Light Emitting Laser-Diodes,

DTIC Science & Technology

SEMICONDUCTOR LASERS, *EPITAXIAL GROWTH, ALLOYS, LAYERS, LOW PRESSURE, PRESSURE, QUALITY, ROOM TEMPERATURE, SUBSTRATES, GALLIUM PHOSPHIDES, INDIUM PHOSPHIDES, THERMAL PROPERTIES, ENERGY GAPS, ENERGY BANDS, VAPOR PHASES.

Lorelle Mansfield, Ph.D. | NREL

Science.gov Websites

)Se2 (CIGS) thin films for photovoltaic applications. In particular, she is developing rapid two-step content, and band gap grading. While at NREL, she has also deposited CIGS on novel substrates using low

Electroless plated maghemite for three-dimensional magneto photonic crystals

NASA Astrophysics Data System (ADS)

Mito, Shinichiro; Kawashima, Takuya; Kawaguchi, Takuma; Sasano, Junji; Takagi, Hiroyuki; Inoue, Mitsuteru

2017-05-01

Three-dimensional magneto photonic crystals (3D-MPCs) are promising material for manipulating light in 3D space. In this study, we fabricated 3D-MPC that is filling the air-gap of opal photonic crystal with magnetic material by electroless plating. The electroless plating is an attractive film-forming method which provides magnetic material films on various substrates in aqueous solution at 24-90 °C. As magnetic material for filling the air-gap, maghemite (γ-Fe2O3) film was plated in opal photonic crystal. The plated maghemite film showed a Faraday rotation of 0.6 deg./μm at 440 nm and significantly lower absorption than magnetite. The plated opal showed photonic band gap and magneto-optic response. Faraday rotation of the plated opal was enhanced at the band edge. The photonic band gap and the Faraday rotation spectra were changed as a function of incident angle of light. Electroless plating of maghemite could be promising technique for fabricating 3D-MPCs.

Determination of the band parameters of bulk 2H-MX2 (M = Mo, W; X = S, Se) by angle-resolved photoemission spectroscopy

PubMed Central

Kim, Beom Seo; Rhim, Jun-Won; Kim, Beomyoung; Kim, Changyoung; Park, Seung Ryong

2016-01-01

Monolayer MX2 (M = Mo, W; X = S, Se) has recently been drawn much attention due to their application possibility as well as the novel valley physics. On the other hand, it is also important to understand the electronic structures of bulk MX2 for material applications since it is very challenging to grow large size uniform and sustainable monolayer MX2. We performed angle-resolved photoemission spectroscopy and tight binding calculations to investigate the electronic structures of bulk 2H-MX2. We could extract all the important electronic band parameters for bulk 2H-MX2, including the band gap, direct band gap size at K (-K) point and spin splitting size. Upon comparing the parameters for bulk 2H-MX2 (our work) with mono- and multi-layer MX2 (published), we found that stacked layers, substrates for thin films, and carrier concentration significantly affect the parameters, especially the band gap size. The origin of such effect is discussed in terms of the screening effect. PMID:27805019

Raman spectra boron doped amorphous carbon thin film deposited by bias assisted-CVD

NASA Astrophysics Data System (ADS)

Ishak, A.; Fadzilah, A. N.; Dayana, K.; Saurdi, I.; Malek, M. F.; Nurbaya, Z.; Shafura, A. K.; Rusop, M.

2018-05-01

Boron doped amorphous carbon thin film carbon was deposited at 200°C-350°C by bias assisted-CVD using palm oil as a precursor material. The structural boron doped amorphous carbon films were discussed by Raman analysis through the evolution of D and G bands. The spectral evolution observed showed the increase of upward shift of D and G peaks as substrate deposition temperatures increased. These structural changes were further correlated with optical gap and the results obtained are discussed and compared. The estimated optical band gap is found to be 1.9 to 2.05 eV and conductivity is to be in the range of 10-5 Scm-1 to 10-4 Scm-1. The decrease of optical band gap is associated to conductivity increased which change the characteristic parameters of Raman spectra including the position of G peak, full width at half maximum of G peak, and ID/IG.

Many-body design of highly strained GaInNAs electroabsorption modulators on GaInAs ternary substrates

NASA Astrophysics Data System (ADS)

Fujisawa, Takeshi; Arai, Masakazu; Kano, Fumiyoshi

2010-05-01

Electroabsorption in highly strained GaInAs and GaInNAs quantum wells (QWs) grown on GaInAs or quasi-GaInAs substrates is investigated by using microscopic many-body theory. The effects of various parameters, such as strain, barrier height, substrate composition, and temperature are thoroughly examined. It is shown that the value of the absorption coefficient strongly depends on the depth of the QWs under large bias electric field due to the small overlap integral of wave functions between the conduction and valence bands. The use of GaInNAs QWs makes the strain in the well layer very small. Further, the effective quantum-well depth is increased in GaInNAs QWs due to the anticrossing interaction between the conduction and N-resonant bands, making it possible to obtain larger absorption coefficient under large bias electric fields without using wide-band gap materials for barriers.

Hole doping, hybridization gaps, and electronic correlation in graphene on a platinum substrate

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

Hwang, Jinwoong; Hwang, Hwihyeon; Kim, Min-Jeong

The interaction between graphene and substrates provides a viable route to enhance the functionality of both materials. Depending on the nature of electronic interaction at the interface, the electron band structure of graphene is strongly influenced, allowing us to make use of the intrinsic properties of graphene or to design additional functionalities in graphene. In this paper, we present an angle-resolved photoemission study on the interaction between graphene and a platinum substrate. The formation of an interface between graphene and platinum leads to a strong deviation in the electronic structure of graphene not only from its freestanding form but alsomore » from the behavior observed on typical metals. Finally, the combined study on the experimental and theoretical electron band structure unveils the unique electronic properties of graphene on a platinum substrate, which singles out graphene/platinum as a model system investigating graphene on a metallic substrate with strong interaction.« less

Hole doping, hybridization gaps, and electronic correlation in graphene on a platinum substrate

DOE PAGES

Hwang, Jinwoong; Hwang, Hwihyeon; Kim, Min-Jeong; ...

2017-08-02

The interaction between graphene and substrates provides a viable route to enhance the functionality of both materials. Depending on the nature of electronic interaction at the interface, the electron band structure of graphene is strongly influenced, allowing us to make use of the intrinsic properties of graphene or to design additional functionalities in graphene. In this paper, we present an angle-resolved photoemission study on the interaction between graphene and a platinum substrate. The formation of an interface between graphene and platinum leads to a strong deviation in the electronic structure of graphene not only from its freestanding form but alsomore » from the behavior observed on typical metals. Finally, the combined study on the experimental and theoretical electron band structure unveils the unique electronic properties of graphene on a platinum substrate, which singles out graphene/platinum as a model system investigating graphene on a metallic substrate with strong interaction.« less

Alternating gradient photodetector

NASA Technical Reports Server (NTRS)

Overhauser, Albert W. (Inventor); Maserjian, Joseph (Inventor)

1989-01-01

A far infrared (FIR) range responsive photodetector is disclosed. There is a substrate of degenerate germanium. A plurality of alternating impurity-band and high resistivity layers of germanium are disposed on the substrate. The impurity-band layers have a doping concentration therein sufficiently high to include donor bands which can release electrons upon impingement by FIR photons of energy hv greater than an energy gap epsilon. The high resistivity layers have a doping concentration therein sufficiently low as to not include conducting donor bands and are depleted of electrons. Metal contacts are provided for applying an electrical field across the substrate and the plurality of layers. In the preferred embodiment as shown, the substrate is degenerate n-type (N++) germanium; the impurity-band layers are n+ layers of germanium doped to approximately the low 10(exp 16)/cu cm range; and, the high resistivity layers are n-layers of germanium doped to a maximum of approximately 10(exp)/cu cm. Additionally, the impurity-band layers have a thickness less than a conduction-electron diffusion length in germanium and likely to be in the range of 0.1 to 1.0 micron, the plurality of impurity-bands is of a number such that the flux of FIR photons passing therethrough will be substantially totally absorbed therein, the thickness of the high resistivity layers is such compared to the voltage applied that the voltage drop in each the high resistivity layers controls the occurence of impact ionization in the impurity-band layers to a desired level.

Photocatalytic efficiency of CdS film synthesized by CBD method

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

Ishiyama, T.; Sato, Y.; Jeyadevan, B.

2006-05-15

Cadmium Sulfide semiconductor has comparatively small band gap and act as photocatalyst under irradiation of visible light. For practical use, it is convenient to fix the photocatalyst on a substrate as a thin film. In this study, we prepared CdS thin film on Ti substrate by Chemical Bath Deposition (CBD). To improve photocatalytic activity, CdS film was annealed and optimum thickness was investigated.

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

Deniz, O.; Sánchez-Sánchez, C.; Jaafar, R.

Electronic and thermal properties of chevron-type graphene nanoribbons can be widely tuned, making them interesting candidates for electronic and thermoelectric applications. In this paper, we use post-growth silicon intercalation to unambiguously access nanoribbons’ energy position of their electronic frontier states. These are otherwise obscured by substrate effects when investigated directly on the growth substrate. Finally, in agreement with first-principles calculations we find a band gap of 2.4 eV.

Effect of Thermal Annealing on the Band GAP and Optical Properties of Chemical Bath Deposited ZnSe Thin Films

NASA Astrophysics Data System (ADS)

Ezema, F. I.; Ekwealor, A. B. C.; Osuji, R. U.

2006-05-01

Zinc selenide (ZnSe) thin films were deposited on glass substrate using the chemical bath deposition method at room temperature from aqueous solutions of zinc sulphate and sodium selenosulfate in which sodium hydroxide was employed as complexing agents. The `as-deposited' ZnSe thin films are red in color and annealed in oven at 473 K for 1 hour and on a hot plate in open air at 333 K for 5 minutes, affecting the morphological and optical properties. Optical properties such as absorption coefficient a and extinction coefficient k, were determined using the absorbance and transmission measurement from Unico UV-2102 PC spectrophotometer, at normal incidence of light in the wavelength range of 200-1000 nm. The films have transmittance in VIS-NIR regions that range between 26 and 87%. From absorbance and transmittance spectra, the band gap energy determined ranged between 1.60 eV and 1.75 for the `as deposited' samples, and the annealed samples exhibited a band gap shift of 0.15 eV. The high transmittance of the films together with its large band gap made them good materials for selective coatings for solar cells.

Electrical, structural and optical properties of tellurium thin films on silicon substrate

NASA Astrophysics Data System (ADS)

Arora, Swati; Vijay, Y. K.

2018-05-01

Tellurium (Te) thin films of various thicknesses (200nm, 275nm, 350nm & 500nm) were prepared on Silicon (Si) using thermal evaporation at vacuum of 10-5 torr. It is observed that the resistivity decreases exponentially with the Increases Temperature. A direct band gap between 0.368 eV to 0.395 eV is obtained at different temperatures with Four Probe Method which shows that when we increase the thickness of material the band gap will exponentially decreases. Samples were analysed through X-ray diffraction and atomic force microscopy to attain complete and reliable micro structural in order.

Effect of thermal annealing on structure and optical band gap of Se{sub 66}Te{sub 25}In{sub 9} thin films

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

Dwivedi, D. K.; Pathak, H. P.; Shukla, Nitesh

2015-05-15

Thin films of a-Se{sub 66}Te{sub 25}In{sub 9} have been deposited onto a chemically cleaned glass substrate by thermal evaporation technique under vacuum. Glassy nature of the films has been ascertained by X-ray diffraction pattern. The analysis of absorption spectra, measured at normal incidence, in the spectral range 400-1100 nm has been used for the optical characterization of thin films under investigation. The effect of thermal annealing on structure and optical band gap (E{sub g}) of a-Se{sub 66}Te{sub 25}In{sub 9} have been studied.

Nonreciprocal Surface Acoustic Waves in Multilayers with Magnetoelastic and Interfacial Dzyaloshinskii-Moriya Interactions

NASA Astrophysics Data System (ADS)

Verba, Roman; Lisenkov, Ivan; Krivorotov, Ilya; Tiberkevich, Vasil; Slavin, Andrei

2018-06-01

Surface acoustic waves (SAWs) propagating in a piezoelectric substrate covered with a thin ferromagnetic-heavy-metal bilayer are found to exhibit a substantial degree of nonreciprocity, i.e., the frequencies of these waves are nondegenerate with respect to the inversion of the SAW propagation direction. The simultaneous action of the magnetoelastic interaction in the ferromagnetic layer and the interfacial Dzyaloshinskii-Moriya interaction in the ferromagnetic-heavy-metal interface results in the openings of magnetoelastic band gaps in the SAW spectrum, and the frequency position of these band gaps is different for opposite SAW propagation directions. The band-gap widths and the frequency separation between them can be controlled by a proper selection of the magnetization angle and the thickness of the ferromagnetic layer. Using numerical simulations, we demonstrate that the isolation between SAWs propagating in opposite directions in such a system can exceed the direct SAW propagation losses by more than 1 order of magnitude.

Remarkable optical red shift and extremely high optical absorption coefficient of V-Ga co-doped TiO2

NASA Astrophysics Data System (ADS)

Deng, Quanrong; Han, Xiaoping; Gao, Yun; Shao, Guosheng

2012-07-01

A first attempt has been made to study the effect of codoping of transition metal and sp metal on the electronic structure and associated optical properties of TiO2, through V-Ga codoped thin films. V-Ga codoped rutile TiO2 films were fabricated on fused quartz substrates using pulsed laser ablation, followed by heat treatment at high temperatures. Gigantic redshift in the optical absorption edge was observed in V-Ga co-doped TiO2 materials, from UV to infrared region with high absorption coefficient. Through combined structural characterization and theoretical modeling, this is attributed to the p-d hybridization between the two metals. This leads to additional energy bands to overlap with the minimum of the conduction band, leading to remarkably narrowed band gap free of mid-gap states. The direct-gap of the co-doped phase is key to the remarkably high optical absorption coefficient of the coped titania.

Formation of Ideal Rashba States on Layered Semiconductor Surfaces Steered by Strain Engineering

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

Ming, Wenmei; Wang, Z. F.; Zhou, Miao

2015-12-10

Spin splitting of Rashba states in two-dimensional electron system provides a mechanism of spin manipulation for spintronics applications. However, Rashba states realized experimentally to date are often outnumbered by spin-degenerated substrate states at the same energy range, hindering their practical applications. Here, by density functional theory calculation, we show that Au one monolayer film deposition on a layered semiconductor surface β-InSe(0001) can possess “ideal” Rashba states with large spin splitting, which are completely situated inside the large band gap of the substrate. The position of the Rashba bands can be tuned over a wide range with respect to the substratemore » band edges by experimentally accessible strain. Furthermore, our nonequilibrium Green’s function transport calculation shows that this system may give rise to the long-sought strong current modulation when made into a device of Datta-Das transistor. Similar systems may be identified with other metal ultrathin films and layered semiconductor substrates to realize ideal Rashba states.« less

Effects of oxygen partial pressure, deposition temperature, and annealing on the optical response of CdS:O thin films as studied by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Junda, Maxwell M.; Grice, Corey R.; Subedi, Indra; Yan, Yanfa; Podraza, Nikolas J.

2016-07-01

Ex-situ spectroscopic ellipsometry measurements are made on radio frequency magnetron sputtered oxygenated cadmium sulfide (CdS:O) thin films. Films are deposited onto glass substrates at room temperature and at 270 °C with varying oxygen to total gas flow ratios in the sputtering ambient. Ellipsometric spectra from 0.74 to 5.89 eV are collected before and after annealing at 607 °C to simulate the thermal processes during close-space sublimation of overlying cadmium telluride in that solar cell configuration. Complex dielectric function (ɛ = ɛ1 + iɛ2) spectra are extracted for films as a function of oxygen gas flow ratio, deposition temperature, and post-deposition annealing using a parametric model accounting for critical point transitions and an Urbach tail for sub-band gap absorption. The results suggest an inverse relationship between degree of crystallinity and oxygen gas flow ratio, whereas annealing is shown to increase crystallinity in all samples. Direct band gap energies are determined from the parametric modeling of ɛ and linear extrapolations of the square of the absorption coefficient. As-deposited samples feature a range of band gap energies whereas annealing is shown to result in gap energies ranging only from 2.40 to 2.45 eV, which is close to typical band gaps for pure cadmium sulfide.

The growth of low band-gap InAs on (111)B GaAs substrates

NASA Technical Reports Server (NTRS)

Welser, R. E.; Guido, L. J.

1995-01-01

The use of low band-gap materials is of interest for a number of photovoltaic and optoelectronic applications, such as bottom cells of optimized multijunction solar cell designs, long wavelength light sources, detectors, and thermophotovoltaics. However, low band-gap materials are generally mismatched with respect to lattice constant, thermal expansion coefficient, and chemical bonding to the most appropriate commercially available substrates (Si, Ge, and GaAs). For the specific case of III-V semiconductor heteroepitaxy, one must contend with the strain induced by both lattice constant mismatch at the growth temperature and differences in the rates of mechanical deformation during the cool down cycle. Several experimental techniques have been developed to minimize the impact of these phenomena (i.e., compositional grading, strained layer superlattices, and high-temperature annealing). However, in highly strained systems such as InAs-on-GaAs, three-dimensional island formation and large defect densities (greater than or equal to 10(exp 8)/ cm(exp -2)) tend to limit their applicability. In these particular cases, the surface morphology and defect density must be controlled during the initial stages of nucleation and growth. At the last SPRAT conference, we reported on a study of the evolution of InAs islands on (100) and (111)B GaAs substrates. Growth on the (111)B orientation exhibits a number of advantageous properties as compared to the (100) during these early stages of strained-layer epitaxy. In accordance with a developing model of nucleation and growth, we have deposited thin (60 A - 2500 A), fully relaxed InAs films on (111)B GaAs substrates. Although thicker InAs films are subject to the formation of twin defects common to epitaxy on the (111)B orientation, appropriate control of the growth parameters can greatly minimize their density. Using this knowledge base, InAs films up to 2 microns in thickness with improved morphology and structural quality have been grown on (111)B GaAs substrates, thereby enabling the measurement of electronic and optical properties.

Growth and characterization of single crystalline Zn0.8-xMg0.2AlxO films with UV band gap on GaN/Al2O3 template by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Kim, Min-Sung; Lee, Byung-Teak

2013-02-01

Single crystalline Zn0.8-xMg0.2AlxO thin films were grown on a GaN/Al2O3 template. As the Al content is increased from 0 to 0.06, the optical band gap increased from 3.6 eV to 4.0 eV, growth rate decreased from 6 nm/min to 3 nm/min, and the surface roughness decreased from 17 nm to 0.8 nm. It was observed that interfacial layers were formed between the thin films and the substrates, identified as cubic MgAl2O4 in the case of ZnMgAlO/GaN and cubic MgO in the case of ZnMgO/GaN. It was proposed that the MgAl2O4 layer, with low lattice mismatch of ˜7% against the GaN substrate, acted as the buffer layer to correlate the film and the substrate, resulting in growth of the single crystalline thin films in the case of the ZnMgAlO/GaN system.

Predicted Growth of Two-Dimensional Topological Insulator Thin Films of III-V Compounds on Si(111) Substrate

DOE PAGES

Yao, Liang-Zi; Crisostomo, Christian P.; Yeh, Chun-Chen; ...

2015-11-05

We have carried out systematic first-principles electronic structure computations of growth of ultrathin films of compounds of group III (B, Al, In, Ga, and Tl) with group V (N, P, As, Sb, and Bi) elements on Si(111) substrate, including effects of hydrogenation. Two bilayers (BLs) of AlBi, InBi, GaBi, TlAs, and TlSb are found to support a topological phase over a wide range of strains, in addition to BBi, TlN, and TlBi which can be driven into the nontrivial phase via strain. A large band gap of 134 meV is identified in hydrogenated 2 BL film of InBi. One andmore » two BL films of GaBi and 2 BL films of InBi and TlAs on Si(111) surface possess nontrivial phases with a band gap as large as 121 meV in the case of 2 BL film of GaBi. Persistence of the nontrivial phase upon hydrogenations in the III-V thin films suggests that these films are suitable for growing on various substrates.« less

Large-roll growth of 25-inch hexagonal BN monolayer film for self-release buffer layer of free-standing GaN wafer

NASA Astrophysics Data System (ADS)

Wu, Chenping; Soomro, Abdul Majid; Sun, Feipeng; Wang, Huachun; Huang, Youyang; Wu, Jiejun; Liu, Chuan; Yang, Xiaodong; Gao, Na; Chen, Xiaohong; Kang, Junyong; Cai, Duanjun

2016-10-01

Hexagonal boron nitride (h-BN) is known as promising 2D material with a wide band-gap (~6 eV). However, the growth size of h-BN film is strongly limited by the size of reaction chamber. Here, we demonstrate the large-roll synthesis of monolayer and controllable sub-monolayer h-BN film on wound Cu foil by low pressure chemical vapor deposition (LPCVD) method. By winding the Cu foil substrate into mainspring shape supported by a multi-prong quartz fork, the reactor size limit could be overcome by extending the substrate area to a continuous 2D curl of plane inward. An extremely large-size monolayer h-BN film has been achieved over 25 inches in a 1.2” tube. The optical band gap of h-BN monolayer was determined to be 6.0 eV. The h-BN film was uniformly transferred onto 2” GaN or 4” Si wafer surfaces as a release buffer layer. By HVPE method, overgrowth of thick GaN wafer over 200 μm has been achieved free of residual strain, which could provide high quality homo-epitaxial substrate.

(QC Themes) Type-Two Quantum Computing in PBG-Based Cavities for Efficient Simulation of Lattice Gas Dynamics

DTIC Science & Technology

2008-04-26

substrate Si3N4 Diameter : 540 nm Pitch : 760 nm Diamond Holes in Diamond (HID) Pillars of Diamond (POD) POD with Electrooptic Polymer at Center 3D ...Diamond film : 2 um Si- substrate Al : 0.2 um PMMA : 0.5um 1. Deposit UNCD film 2. Deposit Al metal 3. Deposit PMMA on Al 4. E-beam Lithography 5...band-gap (PBG) based cavities. The cavities are etched directly on to the diamond substrate . The set of coupled qubits in each spot represents an

Photoactive lead oxide thin films by spray pyrolysis

NASA Astrophysics Data System (ADS)

Bhagat, Dharini; Waldiya, Manmohansingh; Mukhopadhyay, Indrajit

2018-05-01

We report the synthesis of photoactive lead monoxide thin films on fluorine doped tin oxide substrate by cost effective spray pyrolysis technique using aqueous solution of lead acetate trihydrate. Influence of substrate temperature on the structural and optical properties of thin films was studied. Polymorph of lead monoxide, litharge (α-PbO), was obtained when the substrate temperature was kept constant at 360 °C. XRD analysis revealed that the deposits were tetragonal structured with preferred orientation along 002 plane. Band gap value was found to be 1.93ev from diffuse reflectance spectra.

Electronic characterization of silicon intercalated chevron graphene nanoribbons on Au(111).

PubMed

Deniz, O; Sánchez-Sánchez, C; Jaafar, R; Kharche, N; Liang, L; Meunier, V; Feng, X; Müllen, K; Fasel, R; Ruffieux, P

2018-02-08

Electronic and thermal properties of chevron-type graphene nanoribbons can be widely tuned, making them interesting candidates for electronic and thermoelectric applications. Here, we use post-growth silicon intercalation to unambiguously access nanoribbons' energy position of their electronic frontier states. These are otherwise obscured by substrate effects when investigated directly on the growth substrate. In agreement with first-principles calculations we find a band gap of 2.4 eV.

Ultrathin high band gap solar cells with improved efficiencies from the world's oldest photovoltaic material.

PubMed

Todorov, Teodor K; Singh, Saurabh; Bishop, Douglas M; Gunawan, Oki; Lee, Yun Seog; Gershon, Talia S; Brew, Kevin W; Antunez, Priscilla D; Haight, Richard

2017-09-25

Selenium was used in the first solid state solar cell in 1883 and gave early insights into the photoelectric effect that inspired Einstein's Nobel Prize work; however, the latest efficiency milestone of 5.0% was more than 30 years ago. The recent surge of interest towards high-band gap absorbers for tandem applications led us to reconsider this attractive 1.95 eV material. Here, we show completely redesigned selenium devices with improved back and front interfaces optimized through combinatorial studies and demonstrate record open-circuit voltage (V OC ) of 970 mV and efficiency of 6.5% under 1 Sun. In addition, Se devices are air-stable, non-toxic, and extremely simple to fabricate. The absorber layer is only 100 nm thick, and can be processed at 200 ˚C, allowing temperature compatibility with most bottom substrates or sub-cells. We analyze device limitations and find significant potential for further improvement making selenium an attractive high-band-gap absorber for multi-junction device applications.Wide band gap semiconductors are important for the development of tandem photovoltaics. By introducing buffer layers at the front and rear side of solar cells based on selenium; Todorov et al., reduce interface recombination losses to achieve photoconversion efficiencies of 6.5%.

Stabilization of Fermi level via electronic excitation in Sn doped CdO thin films

NASA Astrophysics Data System (ADS)

Das, Arkaprava; Singh, Fouran

2018-04-01

Pure and Sn doped CdO sol-gel derived thin films were deposited on corning glass substrate and further irradiated by swift heavy ion (SHI) (Ag and O) with fluence upto 3×1013 ions/cm2. The observed tensile stress from X-ray diffraction pattern at higher fluence for Ag ions can be corroborated to the imbrications of cylindrical tracks due to multiple impacts. The anomalous band gap enhancement after irradiation may be attributed to the consolidated effect of Burstein-Moss shift (BMS) and impurity induced virtual gap states (ViGs). At higher excitation density as Fermi stabilization level (EFS) tends to coincide with charge neutrality level (CNL), band gap enhancement saturates as further creation of additional defects inside the lattice becomes unsustainable. Raman spectroscopy divulges an intensity enhancement of 478 cm-1 LO phonon mode with Sn doping and irradiation induces further asymmetric peak broadening due to damage and disordering inside the lattice. However for 3% Sn doped thin film irradiated with Ag ions having 3×1013 fluence shows a drastic change in structural properties and reduction in band gap which might be attributed to the generation of localized energy levels between conduction and valance band due to high density of defects.

Chemically modulated graphene quantum dot for tuning the photoluminescence as novel sensory probe

NASA Astrophysics Data System (ADS)

Hwang, Eunhee; Hwang, Hee Min; Shin, Yonghun; Yoon, Yeoheung; Lee, Hanleem; Yang, Junghee; Bak, Sora; Lee, Hyoyoung

2016-12-01

A band gap tuning of environmental-friendly graphene quantum dot (GQD) becomes a keen interest for novel applications such as photoluminescence (PL) sensor. Here, for tuning the band gap of GQD, a hexafluorohydroxypropanyl benzene (HFHPB) group acted as a receptor of a chemical warfare agent was chemically attached on the GQD via the diazonium coupling reaction of HFHPB diazonium salt, providing new HFHPB-GQD material. With a help of the electron withdrawing HFHPB group, the energy band gap of the HFHPB-GQD was widened and its PL decay life time decreased. As designed, after addition of dimethyl methyl phosphonate (DMMP), the PL intensity of HFHPB-GQD sensor sharply increased up to approximately 200% through a hydrogen bond with DMMP. The fast response and short recovery time was proven by quartz crystal microbalance (QCM) analysis. This HFHPB-GQD sensor shows highly sensitive to DMMP in comparison with GQD sensor without HFHPB and graphene. In addition, the HFHPB-GQD sensor showed high selectivity only to the phosphonate functional group among many other analytes and also stable enough for real device applications. Thus, the tuning of the band gap of the photoluminescent GQDs may open up new promising strategies for the molecular detection of target substrates.

Chemically modulated graphene quantum dot for tuning the photoluminescence as novel sensory probe

PubMed Central

Hwang, Eunhee; Hwang, Hee Min; Shin, Yonghun; Yoon, Yeoheung; Lee, Hanleem; Yang, Junghee; Bak, Sora; Lee, Hyoyoung

2016-01-01

A band gap tuning of environmental-friendly graphene quantum dot (GQD) becomes a keen interest for novel applications such as photoluminescence (PL) sensor. Here, for tuning the band gap of GQD, a hexafluorohydroxypropanyl benzene (HFHPB) group acted as a receptor of a chemical warfare agent was chemically attached on the GQD via the diazonium coupling reaction of HFHPB diazonium salt, providing new HFHPB-GQD material. With a help of the electron withdrawing HFHPB group, the energy band gap of the HFHPB-GQD was widened and its PL decay life time decreased. As designed, after addition of dimethyl methyl phosphonate (DMMP), the PL intensity of HFHPB-GQD sensor sharply increased up to approximately 200% through a hydrogen bond with DMMP. The fast response and short recovery time was proven by quartz crystal microbalance (QCM) analysis. This HFHPB-GQD sensor shows highly sensitive to DMMP in comparison with GQD sensor without HFHPB and graphene. In addition, the HFHPB-GQD sensor showed high selectivity only to the phosphonate functional group among many other analytes and also stable enough for real device applications. Thus, the tuning of the band gap of the photoluminescent GQDs may open up new promising strategies for the molecular detection of target substrates. PMID:27991584

Structural and optical properties of ITO and Cu doped ITO thin films

NASA Astrophysics Data System (ADS)

Chakraborty, Deepannita; Kaleemulla, S.; Rao, N. Madhusudhana; Subbaravamma, K.; Rao, G. Venugopal

2018-04-01

(In0.95Sn0.05)2O3 and (In0.90Cu0.05Sn0.05)2O3 thin films were coated onto glass substrate by electron beam evaporation technique. The structural and optical properties of ITO and Cu doped ITO thin films have been studied by X-ray diffractometer (XRD) and UV-Vis-NIR spectrophotometer. The crystallite size obtained for ITO and Cu doped ITO thin films was in the range of 24 nm to 22 nm. The optical band gap of 4 eV for ITO thin film sample has been observed. The optical band gap decreases to 3.85 eV by doping Cu in ITO.

Disentangling nonradiative recombination processes in Ge micro-crystals on Si substrates

NASA Astrophysics Data System (ADS)

Pezzoli, Fabio; Giorgioni, Anna; Gallacher, Kevin; Isa, Fabio; Biagioni, Paolo; Millar, Ross W.; Gatti, Eleonora; Grilli, Emanuele; Bonera, Emiliano; Isella, Giovanni; Paul, Douglas J.; Miglio, Leo

2016-06-01

We address nonradiative recombination pathways by leveraging surface passivation and dislocation management in μm-scale arrays of Ge crystals grown on deeply patterned Si substrates. The time decay photoluminescence (PL) at cryogenic temperatures discloses carrier lifetimes approaching 45 ns in band-gap engineered Ge micro-crystals. This investigation provides compelling information about the competitive interplay between the radiative band-edge transitions and the trapping of carriers by dislocations and free surfaces. Furthermore, an in-depth analysis of the temperature dependence of the PL, combined with capacitance data and finite difference time domain modeling, demonstrates the effectiveness of GeO2 in passivating the surface of Ge and thus in enhancing the room temperature PL emission.

Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator

PubMed Central

Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Sheng-shi; Yan, Shi-shen; Li, Ping; Wang, Pei-ji

2016-01-01

Group III-V films are of great importance for their potential application in spintronics and quantum computing. Search for two-dimensional III-V films with a nontrivial large-gap are quite crucial for the realization of dissipationless transport edge channels using quantum spin Hall (QSH) effects. Here we use first-principles calculations to predict a class of large-gap QSH insulators in functionalized TlSb monolayers (TlSbX2; (X = H, F, Cl, Br, I)), with sizable bulk gaps as large as 0.22 ~ 0.40 eV. The QSH state is identified by Z2 topological invariant together with helical edge states induced by spin-orbit coupling (SOC). Noticeably, the inverted band gap in the nontrivial states can be effectively tuned by the electric field and strain. Additionally, these films on BN substrate also maintain a nontrivial QSH state, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of QSH insulators based on two-dimensional honeycomb lattices in spintronics. PMID:26882865

Functionalized Thallium Antimony Films as Excellent Candidates for Large-Gap Quantum Spin Hall Insulator.

PubMed

Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Sheng-shi; Yan, Shi-shen; Li, Ping; Wang, Pei-ji

2016-02-17

Group III-V films are of great importance for their potential application in spintronics and quantum computing. Search for two-dimensional III-V films with a nontrivial large-gap are quite crucial for the realization of dissipationless transport edge channels using quantum spin Hall (QSH) effects. Here we use first-principles calculations to predict a class of large-gap QSH insulators in functionalized TlSb monolayers (TlSbX2; (X = H, F, Cl, Br, I)), with sizable bulk gaps as large as 0.22~0.40 eV. The QSH state is identified by Z2 topological invariant together with helical edge states induced by spin-orbit coupling (SOC). Noticeably, the inverted band gap in the nontrivial states can be effectively tuned by the electric field and strain. Additionally, these films on BN substrate also maintain a nontrivial QSH state, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of QSH insulators based on two-dimensional honeycomb lattices in spintronics.

Indium selenide monolayer: strain-enhanced optoelectronic response and dielectric environment-tunable 2D exciton features

NASA Astrophysics Data System (ADS)

Ben Amara, Imen; Hichri, Aida; Jaziri, Sihem

2017-12-01

Electronic and optical performances of the β-InSe monolayer (ML) are considerably boosted by tuning the corresponding band energies through lattice in-plane compressive strain engineering. First principles calculations show an indirect-direct gap transition with a large bandgap size. The crossover is due to different responses of the near-gap state energies with respect to strain. This is explained by the variation of In-Se bond length, the bond nature of near-band-edge electronic orbital and of the momentum angular contribution versus in-plane compressive strain. The effective masses of charge carriers are also found to be highly modulated and significantly light at the indirect-direct-gap transition. The tuned optical response of the resulting direct-gap ML β-InSe is evaluated versus applied energy to infer the allowed optical transitions, dielectric constants, semiconductor-metal behavior and refractive index. The environmental dielectric engineering of exciton behavior of the resulting direct-gap ML β-InSe is handled within the effective mass Wannier-Mott model and is expected to be important. Our results highlight the increase of binding energy and red-shifted exciton energy with decreasing screening substrates, resulting in a stable exciton at room temperature. The intensity and energy of the ground-state exciton emission are expected to be strongly influenced under substrate screening effect. According to our findings, the direct-gap ML β-InSe assures tremendous 2D optoelectronic and nanoelectronic merits that could overcome several limitations of unstrained ML β-InSe.

Electronic characterization of silicon intercalated chevron graphene nanoribbons on Au(111)

DOE PAGES

Deniz, O.; Sánchez-Sánchez, C.; Jaafar, R.; ...

2018-01-08

Electronic and thermal properties of chevron-type graphene nanoribbons can be widely tuned, making them interesting candidates for electronic and thermoelectric applications. In this paper, we use post-growth silicon intercalation to unambiguously access nanoribbons’ energy position of their electronic frontier states. These are otherwise obscured by substrate effects when investigated directly on the growth substrate. Finally, in agreement with first-principles calculations we find a band gap of 2.4 eV.

Energy gap opening by crossing drop cast single-layer graphene nanoribbons.

PubMed

Yamada, Toyo Kazu; Fukuda, Hideto; Fujiwara, Taizo; Liu, Polin; Nakamura, Kohji; Kasai, Seiya; Vazquez de Parga, Amadeo L; Tanaka, Hirofumi

2018-08-03

Band gap opening of a single-layer graphene nanoribbon (sGNR) sitting on another sGNR, fabricated by drop casting GNR solution on Au(111) substrate in air, was studied by means of scanning tunneling microscopy and spectroscopy in an ultra-high vacuum at 78 K and 300 K. GNRs with a width of ∼45 nm were prepared by unzipping double-walled carbon nanotubes (diameter ∼15 nm) using the ultrasonic method. In contrast to atomically-flat GNRs fabricated via the bottom-up process, the drop cast sGNRs were buckled on Au(111), i.e., some local points of the sGNR are in contact with the substrate (d ∼ 0.5 nm), but other parts float (d ∼ 1-3 nm), where d denotes the measured distance between the sGNR and the substrate. In spite of the fact that the nanoribbons were buckled, dI/dV maps confirmed that each buckled sGNR had a metallic character (∼3.5 G o ) with considerable uniform local density of states, comparable to a flat sGNR. However, when two sGNRs crossed each other, the crossed areas showed a band gap between -50 and +200 meV around the Fermi energy, i.e., the only upper sGNR electronic property changed from metallic to p-type semiconducting, which was not due to the bending, but the electronic interactions between the up and down sGNRs.

Optically-initiated silicon carbide high voltage switch with contoured-profile electrode interfaces

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

Sullivan, James S.; Hawkins, Steven A.

An improved photoconductive switch having a SiC or other wide band gap substrate material with opposing contoured profile cavities which have a contoured profile selected from one of Rogowski, Bruce, Chang, Harrison, and Ernst profiles, and two electrodes with matching contoured-profile convex interface surfaces.

Effect of Sb in thick InGaAsSbN layers grown by liquid phase epitaxy

NASA Astrophysics Data System (ADS)

Donchev, V.; Milanova, M.; Asenova, I.; Shtinkov, N.; Alonso-Álvarez, D.; Mellor, A.; Karmakov, Y.; Georgiev, S.; Ekins-Daukes, N.

2018-02-01

Dilute nitride InGaAsSbN layers grown by low-temperature liquid phase epitaxy are studied in comparison with quaternary InGaAsN layers grown at the same growth conditions to understand the effect of Sb in the alloy. The lattice mismatch to the GaAs substrate is found to be slightly larger for the InGaAsSbN layers, which is explained by the large atomic radius of Sb. A reduction of the band gap energy with respect to InGaAsN is demonstrated by means of photoluminescence (PL), surface photovoltage (SPV) spectroscopy and tight-binding calculations. The band-gap energies determined from PL and ellipsometry measurements are in good agreement, while the SPV spectroscopy and the tight-binding calculations provide lower values. Possible reasons for these discrepancies are discussed. The PL spectra reveal localized electronic states in the band gap near the conduction band edge, which is confirmed by SPV spectroscopy. The analysis of the power dependence of the integrated PL has allowed determining the dominant radiative recombination mechanisms in the layers. The values of the refraction index in a wide spectral region are found to be higher for the Sb containing layers.

Zinc oxide wide band gap semiconductor for optoelectronic devices

NASA Astrophysics Data System (ADS)

Choopun, Supab

The main objective of this dissertation is to study the key aspects of ZnO-based materials for fabrication of wide band gap optoelectronic devices. ZnO has received attention due to its direct band gap, alloying and doping capabilities. It has similar properties to that of GaN, a material system that has become very important for the fabrication of blue light emitting diodes, laser diodes, detectors, etc. In this study, ZnO and related materials were grown in thin film form on c-plane sapphire substrates by pulsed laser deposition and then, these films were mainly studied in terms of their structural, optical and electrical properties. The studied key aspects include growth and optimization of device quality ZnO films, band gap tailoring of ZnO films by alloying, fabrication of quantum well structures, and impurity doping for n-type and p-type ZnO films. The growth and optimization of ZnO films have been studied as a function of substrate temperature and oxygen background pressure. By tuning the growth temperature and oxygen pressure during the initial and final stages of growth, it was possible to control desirable surface, interface chemistry structure, crystalline quality, and optoelectronic properties of the films while maintaining high quality epitaxy. Band gap tailoring has been studied by alloying of ZnO with MgO. MgZnO alloy films exhibit two phases, hexagonal and cubic, depending on the Mg concentration in the MgZnO lattice. The band gap energy of MgZnO alloys can be varied in a wide range from 3.3 eV to 4.0 eV for hexagonal structured films and 4.0 to 7.6 eV for cubic structured films. Studies both n-type as well as p-type doping and activation in ZnO films are reported. It was found that In-doped ZnO films with high optical transparency and high electrical conductivity can be grown at temperature below 300°C. P-type ZnO films have been studied by using a cationic-codoping method. Weak p-type conductivity in ZnO films was obtained from Cu and Al codoping. A hole concentration of 1.4 x 1015 cm-3 in all-cationic codoped ZnO film was realized for the first time. In addition, some novel technological applications of ZnO films have also been realized. ZnO film was used as a buffer layer for the growth of III--V nitrides. Moreover, the wider band gap of MgZnO alloy film was used to fabricate single quantum well heterostructures of MgZnO/ZnO/MgZnO. We have also studied the optical lasing effect in ZnO films. Finally, possible future studies and applications on ZnO and related alloys are discussed.

Electronic structure and quantum transport properties of metallic and semiconducting nanowires

NASA Astrophysics Data System (ADS)

Simbeck, Adam J.

The future of the semiconductor industry hinges upon new developments to combat the scaling issues that currently afflict two main chip components: transistors and interconnects. For transistors this means investigating suitable materials to replace silicon for both the insulating gate and the semiconducting channel in order to maintain device performance with decreasing size. For interconnects this equates to overcoming the challenges associated with copper when the wire dimensions approach the confinement limit, as well as continuing to develop low-k dielectric materials that can assure minimal cross-talk between lines. In addition, such challenges make it increasingly clear that device design must move from a top-down to a bottom-up approach in which the desired electronic characteristics are tailored from first-principles. It is with such fundamental hurdles in mind that ab initio calculations on the electronic and quantum transport properties of nanoscale metallic and semiconducting wires have been performed. More specifically, this study seeks to elaborate on the role played by confinement, contacts, dielectric environment, edge decoration, and defects in altering the electronic and transport characteristics of such systems. As experiments continue to achieve better control over the synthesis and design of nanowires, these results are expected to become increasingly more important for not only the interpretation of electronic and transport trends, but also in engineering the electronic structure of nanowires for the needs of the devices of the future. For the metallic atomic wires, the quantum transport properties are first investigated by considering finite, single-atom chains of aluminum, copper, gold, and silver sandwiched between gold contacts. Non-equilibrium Green's function based transport calculations reveal that even in the presence of the contact the conductivity of atomic-scale aluminum is greater than that of the other metals considered. This is in opposition to the situation in the bulk where the conductivity of aluminum is well known to be the lowest amongst these four metals. The better performance of aluminum is attributed to its higher density of states near the Fermi energy, which is the determining factor in the ballistic limit. The results from the finite systems are corroborated by the study of the electronic structure of truly one-dimensional atomic wires where it is confirmed that aluminum is more conductive than copper, gold, or silver. The one-dimensional results are attributed to the higher number of eigenchannels available in aluminum wires, which is the determining factor in the periodic structure. For the semiconducting wires, ultra-thin and fully hydrogen-passivated silicon and germanium systems oriented along the [110] direction are considered in an attempt to understand the role of the substrate in modulating the band structure of the wire. The electronic structures of free-standing and graphene supported SiH2 and GeH2 atomic wires are investigated using a combination of first-principles density functional theory and many-body perturbation theory. The band gaps predicted from density functional theory are essentially unaffected by the presence of the graphene substrate, whereas the quasiparticle gaps computed under the GW approximation are substantially reduced. The quasiparticle band gaps of the SiH2 and GeH2 wires decrease by ˜1.1 eV when supported by graphene. This decrease is attributed to a substrate-induced polarization effect which is more effective at screening the Coulomb interaction. These results extend the substrate-induced quasiparticle band gap renormalization to semiconducting wires composed of silicon and germanium, and shows that besides size and orientation, the substrate can also be used to engineer the band gap of semiconducting wires. Finally, for both metallic and semiconducting nanowires, the role of oxygen edge functionalization in armchair graphene nanoribbons is investigated. Although the benefits of carbon-based nanomaterials have been well documented, their unique electronic properties have yet to be realized in a practical device. The results demonstrate that the introduction of oxygen results in a rich geometrical environment, which in turn determines the electronic and magnetic properties of the ribbon. If the geometry of the ribbon is forced to remain planar then a degenerate, magnetic ground state is predicted whose electronic structure depends upon the magnetic coupling between nanoribbon edges. Allowing the nanoribbon to adopt a non-planar geometry though drastically reduces the energy of the system and the magnetic coupling reported in the planar case is lost. The more energetically favorable non-planar geometry is attributed to a steric interaction resulting from the level of oxygen concentration. The electronic structures of the non-planar ribbons display three band gap families whose gaps generally decrease with increasing ribbon width. The band gap trends as a function of width for the 3p and 3p + 2 families are promising for larger width nanoribbons with sizable band gaps.

Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study.

PubMed

Yang, Li-Juan; Weng, Ya-Kui; Zhang, Hui-Min; Dong, Shuai

2014-11-26

The compressive strain effect on the magnetic ground state and electronic structure of strained GdTiO3 has been studied using the first-principles method. Unlike the cases of congeneric YTiO3 and LaTiO3, both of which become the A-type antiferromagnetism on the (0 0 1) LaAlO3 substrate despite their contrastive magnetism, the ground state of strained GdTiO3 on the LaAlO3 substrate changes from the original ferromagnetism to a G-type antiferromagnetim, instead of the A-type one although Gd(3+) is between Y(3+) and La(3+). It is only when the in-plane compressive strain is large enough, e.g. on the (0 0 1) YAlO3 substrate, that the ground state finally becomes the A-type. The band structure calculation shows that the compressive strained GdTiO3 remains insulating, although the band gap changes a little in the strained GdTiO3.

Room temperature direct band gap emission characteristics of surfactant mediated grown compressively strained Ge films

NASA Astrophysics Data System (ADS)

Katiyar, Ajit K.; Grimm, Andreas; Bar, R.; Schmidt, Jan; Wietler, Tobias; Joerg Osten, H.; Ray, Samit K.

2016-10-01

Compressively strained Ge films have been grown on relaxed Si0.45Ge0.55 virtual substrates using molecular beam epitaxy in the presence of Sb as a surfactant. Structural characterization has shown that films grown in the presence of surfactant exhibit very smooth surfaces with a relatively higher strain value in comparison to those grown without any surfactant. The variation of strain with increasing Ge layer thickness was analyzed using Raman spectroscopy. The strain is found to be reduced with increasing film thickness due to the onset of island nucleation following Stranski-Krastanov growth mechanism. No phonon assisted direct band gap photoluminescence from compressively strained Ge films grown on relaxed Si0.45Ge0.55 has been achieved up to room temperature. Excitation power and temperature dependent photoluminescence have been studied in details to investigate the origin of different emission sub-bands.

Intrinsic defect oriented visible region absorption in zinc oxide films

NASA Astrophysics Data System (ADS)

Rakhesh, V.; Shankar, Balakrishnan

2018-05-01

Zinc Oxide films were deposited on the glass substrate using vacuum arc sputtering technology. Films were prepared in oxygen ambience for 10mA and 15 mA deposition current separately. The UV-Visible spectroscopy of the samples showed that both samples possess sharp absorption near 3.5eV which is the characteristic band gap absorption energy of ZnO films. The absorption coefficient were calculated for the samples and the (αℎϑ)2 vs energy plot is drawn. The plot suggested that in addition to the sharp band edge absorption, the sample prepared at 10mA deposition current showed sharp absorption edge near 1.51eV and that at 15 mA showed absorption edge near 1.47eV. This refers to the presence of an intrinsic defect level which is likely to be deep in the band gap.

Optical evidence of strong coupling between valence-band holes and d -localized spins in Zn1-xMnxO

NASA Astrophysics Data System (ADS)

Sokolov, V. I.; Druzhinin, A. V.; Gruzdev, N. B.; Dejneka, A.; Churpita, O.; Hubicka, Z.; Jastrabik, L.; Trepakov, V.

2010-04-01

We report on optical-absorption study of Zn1-xMnxO (x=0-0.06) films on fused silica substrates taking special attention to the spectral range of the fundamental absorption edge (3.1-4 eV). Well-pronounced excitonic lines observed in the region 3.40-3.45 eV were found to shift to higher energies with increasing Mn concentration. The optical band-gap energy increases with x too, reliably evidencing strong coupling between oxygen holes and localized spins of manganese ions. In the 3.1-3.3 eV region the optical-absorption curve in the manganese-contained films was found to shift to lower energies with respect to that for undoped ZnO. The additional absorption observed in this range is interpreted as a result of splitting of a localized Zhang-Rice-type state into the band gap.

Deep-Ultraviolet Luminescence of Rocksalt-Structured Mg x Zn1-x O (x > 0.5) Films on MgO Substrates

NASA Astrophysics Data System (ADS)

Kaneko, Kentaro; Tsumura, Keiichi; Ishii, Kyohei; Onuma, Takayoshi; Honda, Tohru; Fujita, Shizuo

2018-04-01

Rocksalt-structured Mg x Zn1-x O films with Mg composition x of 0.47, 0.57, and 0.64 were grown on (100)-oriented MgO substrates using mist chemical vapor deposition. Cathodoluminescence measurements showed deep ultraviolet (DUV) emission peaking at 4.88 eV (254 nm), 5.15 eV (241 nm), and 5.21 eV (238 nm), respectively, at 12 K. The peak energies were lower than the band gap energies by ca. 1 eV, suggesting that the deep ultraviolet (DUV) emission may be recognized as near band edge luminescence but is associated with impurities, defects, or band fluctuations. The use of carbon-free precursors in the growth is suggested to eliminate carbon impurities and to improve the optical properties of Mg x Zn1-x O.

Quasi one-dimensional band dispersion and surface metallization in long-range ordered polymeric wires

DOE PAGES

Vasseur, Guillaume; Fagot-Revurat, Yannick; Sicot, Muriel; ...

2016-01-04

We study the electronic structure of an ordered array of poly(para-phenylene) chains produced by surface-catalyzed dehalogenative polymerization of 1,4-dibromobenzene on copper (110). The quantization of unoccupied molecular states is measured as a function of oligomer length by scanning tunnelling spectroscopy, with Fermi level crossings observed for chains longer than ten phenyl rings. Angle-resolved photoelectron spectroscopy reveals a quasi-one-dimensional valence band as well as a direct gap of 1.15 eV, as the conduction band is partially filled through adsorption on the surface. Tight-binding modelling and ab initio density functional theory calculations lead to a full description of the organic band-structure, includingmore » the k-dispersion, the gap size and electron charge transfer mechanisms, highlighting a strong substrate-molecule interaction that drives the system into a metallic behaviour. In summary, we have fully characterized the band structure of a carbon-based conducting wire. This model system may be considered as a fingerprint of -conjugation of surface organic frameworks.« less

Effect of visible light on the optical properties of a-(Ge2Sb2Te5)90Ag10 thin film

NASA Astrophysics Data System (ADS)

Singh, Palwinder; Thakur, Anup

2018-05-01

(Ge2Sb2Te5)90Ag10 (GST-Ag) bulk alloy was prepared using melt quenching technique. GST-Ag thin film was deposited on glass substrate using thermal evaporation method. The prepared thin films were exposed to visible light (intensity of 105 Lux for 2, 8, 20 and 30 hours) using 25W LED lamp. Transmission spectra were taken using UV-vis-NIR spectrophotometer in the wavelength range 800-3200 nm. Optical band gap of as-deposited and light exposed thin films was determined using Tauc's plot. Optical band gap was found to be decreasing on light exposure upto 8 hours and after that no significant change was observed.

Synthesis and characterisation of co-evaporated tin sulphide thin films

NASA Astrophysics Data System (ADS)

Koteeswara Reddy, N.; Ramesh, K.; Ganesan, R.; Ramakrishna Reddy, K. T.; Gunasekhar, K. R.; Gopal, E. S. R.

2006-04-01

Tin sulphide films were grown at different substrate temperatures by a thermal co-evaporation technique. The crystallinity of the films was evaluated from X-ray diffraction studies. Single-phase SnS films showed a strong (040) orientation with an orthorhombic crystal structure and a grain size of 0.12 μm. The films showed an electrical resistivity of 6.1 Ω cm with an activation energy of 0.26 eV. These films exhibited an optical band gap of 1.37 eV and had a high optical absorption coefficient (>104 cm-1) above the band-gap energy. The results obtained were analysed to evaluate the potentiality of the co-evaporated SnS films as an absorber layer in solar photovoltaic devices.

Photoreflectance measurements of unintentional impurity concentrations in undoped GaAs

NASA Astrophysics Data System (ADS)

Sydor, Michael; Angelo, James; Mitchel, William; Haas, T. W.; Yen, Ming-Yuan

1989-07-01

Modulated photoreflectance is used to measure the unintentional impurity concentrations in undoped epitaxial GaAs. A photoreflectance signal above the band gap spreads with the unintentional impurity concentrations and shows well-defined Franz-Keldysh peaks whose separation provide a good measure of the current carrier concentrations. In samples less than 3-micron thick, a photoreflectance signal at the band edge contains a substrate-epilayer interface effect which precludes the analysis of the data by using the customary third derivative functional fits for low electric fields.

RFID antenna design for circular polarization in UHF band

NASA Astrophysics Data System (ADS)

Shahid, Hamza; Khan, Muhammad Talal Ali; Tayyab, Umais; Irshad, Usama Bin; Alkhazraji, Emad; Javaid, Muhammad Sharjeel

2017-05-01

A miniature half cross dipole antenna for defense and aerospace RFID applications in UHF band is presented. The dipole printed line arms are half crossed shape on top of dielectric substrate backed by reactive impedance surface. The antenna fed by a coaxial cable at the gap separating the dipole arms. Our design is intended to work at 2.42 GHz for RFID readers. The radiation pattern obtained has HPBW of 112, return loss of 22.24 dB and 90 MHz bandwidth.

Studies on nickel-tungsten oxide thin films

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

Usha, K. S.; Sivakumar, R., E-mail: krsivakumar1979@yahoo.com; Sanjeeviraja, C.

2014-10-15

Nickel-Tungsten oxide (95:5) thin films were prepared by rf sputtering at 200W rf power with various substrate temperatures. X-ray diffraction study reveals the amorphous nature of films. The substrate temperature induced decrease in energy band gap with a maximum transmittance of 71%1 was observed. The Micro-Raman study shows broad peaks at 560 cm{sup −1} and 1100 cm{sup −1} correspond to Ni-O vibration and the peak at 860 cm{sup −1} can be assigned to the vibration of W-O-W bond. Photoluminescence spectra show two peaks centered on 420 nm and 485 nm corresponding to the band edge emission and vacancies created duemore » to the addition of tungsten, respectively.« less

Improvement of Ion/Ioff for h-BN encapsulated bilayer graphene by graphite local back gate electrode

NASA Astrophysics Data System (ADS)

Uwanno, Teerayut; Taniguchi, Takashi; Watanabe, Kenji; Nagashio, Kosuke

The critical issue for bilayer graphene (BLG) devices is low Ion/Ioff even at the band gap of 0.3eV. Band gap in BLG can be formed by creating potential difference between the two layers of BLG. This can be done by applying external electric field perpendicularly to BLG to induce different carrier densities in the two layers. Due to such origin, the spatial uniformity of band gap in the channel is quite sensitive to charge inhomogeneity in BLG. In order to apply electric field of 3V/nm to open the maximum band gap of 0.3eV, high- k gate stack has been utilized so far. However, oxide dielectrics usually have large charge inhomogeneity causing in-plane potential fluctuation in BLG channel. Due to surface flatness and small charge inhomogeneity, h-BN has been used as dielectrics to achieve high quality graphene devices, however, Ion/Iofffor BLG/ h-BN heterostuctures has not been reported yet. In this study, we used graphite as local back gate electrode to BLG encapsulated with h-BN. This resulted in much higher Ion/Ioff, indicating the importance of screening of charge inhomogeneity from SiO2 substrate surface by local graphite back gate electrode. This research was partly supported by JSPS Core-to-Core Program, A. Advanced Research Networks.

Effect of annealing temperature on the photoluminescence and scintillation properties of ZnO nanorods

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

Kurudirek, Sinem V.; Menkara, H.; Klein, Benjamin D. B.

2018-01-01

The effect of the annealing to enhance the photoluminescence (PL) and scintillation properties, as determined by pulse height distribution of alpha particle irradiation, has been investigated for solution grown ZnO nanorods For this investigation the ZnO nanorod arrays were grown on glass for 22 h at 95 ◦ C as a substrate using a solution based hydrothermal technique. The samples were first annealed for different times (30, 60, 90 and 120 min) at 300 ◦ C and then at different temperatures (100 ◦ C–600 ◦ C) in order to determine the optimum annealing time and temperature, respectively. Before annealing, themore » ZnO nanorod arrays showed a broad yellow–orange visible and near-band gap UV emission peaks. After annealing in a forming gas atmosphere, the intensity of the sub-band gap PL was significantly reduced and the near-band gap PL emission intensity correspondingly increased (especially at temperatures higher than 100 ◦ C). Based on the ratio of the peak intensity ratio before and after annealing, it was concluded that samples at 350 ◦ C for 90 min resulted in the best near-band gap PL emission. Similarly, the analysis of the pulse height spectrum resulting from alpha particles revealed that ZnO nanorod arrays similarly annealed at 350 ◦ C for 90 min exhibited the highest scintillation response.« less

Strain tuning of electronic structure in Bi 4Ti 3O 12-LaCoO 3 epitaxial thin films

DOE PAGES

Choi, Woo Seok; Lee, Ho Nyung

2015-05-08

In this study, we investigated the crystal and electronic structures of ferroelectric Bi 4Ti 3O 12 single-crystalline thin films site-specifically substituted with LaCoO 3 (LCO). The epitaxial films were grown by pulsed laser epitaxy on NdGaO 3 and SrTiO 3 substrates to vary the degree of strain. With increasing the LCO substitution, we observed a systematic increase in the c-axis lattice constant of the Aurivillius phase related with the modification of pseudo-orthorhombic unit cells. These compositional and structural changes resulted in a systematic decrease in the band gap, i.e., the optical transition energy between the oxygen 2p and transition-metal 3dmore » states, based on a spectroscopic ellipsometry study. In particular, the Co 3d state seems to largely overlap with the Ti t 2g state, decreasing the band gap. Interestingly, the applied tensile strain facilitates the band-gap narrowing, demonstrating that epitaxial strain is a useful tool to tune the electronic structure of ferroelectric transition-metal oxides.« less

Temperature dependence of the band gap of GaAsSb epilayers

NASA Astrophysics Data System (ADS)

Lukic-Zrnic, R.; Gorman, B. P.; Cottier, R. J.; Golding, T. D.; Littler, C. L.; Norman, A. G.

2002-12-01

We have optically characterized a series of GaAs1-xSbx epilayers (0.19

Carbonaceous film coating

DOEpatents

Maya, L.

1988-04-27

A method of making a carbonaceous film comprising heating tris(1,3,2-benzodiazaborolo)borazine or dodecahydro tris(1,3,2)diazaborine(1,2-a:1'2'-c:1''2''-e)borazine in an inert atmosphere in the presence of a substrate to a temperature at which the borazine compound decomposes, and the decomposition products deposit onto the substrate to form a thin, tenacious, highly reflective conductive coating having a narrow band gap which is susceptible of modification and a relatively low coefficient of friction.

Carbonaceous film coating

DOEpatents

Maya, Leon

1989-01-01

A method of making a carbonaceous film comprising heating tris(1,3,2-benzodiazaborolo)borazine or dodecahydro tris[1,3,2]diazaborine[1,2-a:1'2'-c:1"2"-e]borazine in an inert atmosphere in the presence of a substrate to a temperature at which the borazine compound decomposes, and the decomposition products deposit onto the substrate to form a thin, tenacious, highly reflective conductive coating having a narrow band gap which is susceptible of modification and a relatively low coefficient of friction.

Controlling the Electronic Structure of Graphene Using Surface-Adsorbate Interactions

DTIC Science & Technology

2015-07-21

after adsorption of Na the propensity of graphene bonding to Ni is much lower due to reduced overlap of atomic orbitals, which results from n- doping of...subse- quent intercalation of the Na underneath graphene. The ability to partially decouple graphene from a Ni substrate via n- doping (with or without...interactions with the substrate or adsorbates, which can modify the energy of the Dirac cone through doping , or cause a band gap to open at the K

Plasmon Excitations of Multi-layer Graphene on a Conducting Substrate

PubMed Central

Gumbs, Godfrey; Iurov, Andrii; Wu, Jhao-Ying; Lin, M. F.; Fekete, Paula

2016-01-01

We predict the existence of low-frequency nonlocal plasmons at the vacuum-surface interface of a superlattice of N graphene layers interacting with conducting substrate. We derive a dispersion function that incorporates the polarization function of both the graphene monolayers and the semi-infinite electron liquid at whose surface the electrons scatter specularly. We find a surface plasmon-polariton that is not damped by particle-hole excitations or the bulk modes and which separates below the continuum mini-band of bulk plasmon modes. The surface plasmon frequency of the hybrid structure always lies below , the surface plasmon frequency of the conducting substrate. The intensity of this mode depends on the distance of the graphene layers from the conductor’s surface, the energy band gap between valence and conduction bands of graphene monolayer and, most importantly, on the number of two-dimensional layers. For a sufficiently large number of layers the hybrid structure has no surface plasmon. The existence of plasmons with different dispersion relations indicates that quasiparticles with different group velocity may coexist for various ranges of wavelengths determined by the number of layers in the superlattice. PMID:26883086

Effect of vacuum annealing and substrate temperature on structural and optical properties of ZnIn2Se4 thin films

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Attia, A. A.; Salem, G. F.; Ali, H. A. M.; Ismail, M. I.

2013-09-01

Zinc indium selenide (ZnIn2Se4) thin films were prepared by the thermal evaporation technique with high deposition rate. The effect of thermal annealing in vacuum on the crystallinity of the as-deposited films was studied at different temperatures (523, 573 and 623 K). The effect of substrate temperature (623 K) for different thickness values (173, 250, 335 and 346 nm) on the optical parameters of ZnIn2Se4 was also studied. The structural studies showed nanocrystalline nature of the room temperature (300 K) deposited films with crystallite size of about a few nanometers. The crystallite size increased up to 31 nm with increasing the annealing temperature in vacuum. From the reflection and transmission data, the refractive index n and the extinction coefficient k were estimated for ZnIn2Se4 thin films and they were found to be independent of film thickness. Analysis of the absorption coefficient data of the as-deposited films revealed the existence of allowed direct and indirect transitions with optical energy gaps of 2.21 eV and 1.71 eV, respectively. These values decreased with increasing annealing temperature. At substrate temperature of 623 K, the direct band gap increased to 2.41 eV whereas the value of indirect band gap remained nearly unchanged. The dispersion analysis showed that the values of the oscillator energy Eo, dispersion energy Ed, dielectric constant at infinite frequency ε∞, and lattice dielectric constant εL were changed appreciably under the effect of annealing and substrate temperature. The covalent nature of structure was studied as a function of the annealing and substrate temperature using an empirical relation for the dispersion energy Ed. Generalized Miller's rule and linear refractive index were used to estimate the nonlinear susceptibility and nonlinear refractive index of the thin films.

Study of the morphology of ZnS thin films deposited on different substrates via chemical bath deposition.

PubMed

Gómez-Gutiérrez, Claudia M; Luque, P A; Castro-Beltran, A; Vilchis-Nestor, A R; Lugo-Medina, Eder; Carrillo-Castillo, A; Quevedo-Lopez, M A; Olivas, A

2015-01-01

In this work, the influence of substrate on the morphology of ZnS thin films by chemical bath deposition is studied. The materials used were zinc acetate, tri-sodium citrate, thiourea, and ammonium hydroxide/ammonium chloride solution. The growth of ZnS thin films on different substrates showed a large variation on the surface, presenting a poor growth on SiO2 and HfO2 substrates. The thin films on ITO substrate presented a uniform and compact growth without pinholes. The optical properties showed a transmittance of about 85% in the visible range of 300-800 nm with band gap of 3.7 eV. © Wiley Periodicals, Inc.

Atomic-scale defects and electronic properties of a transferred synthesized MoS2 monolayer

NASA Astrophysics Data System (ADS)

Delač Marion, Ida; Čapeta, Davor; Pielić, Borna; Faraguna, Fabio; Gallardo, Aurelio; Pou, Pablo; Biel, Blanca; Vujičić, Nataša; Kralj, Marko

2018-07-01

MoS2 monolayer samples were synthesized on a SiO2/Si wafer and transferred to Ir(111) for nano-scale characterization. The samples were extensively characterized during every step of the transfer process, and MoS2 on the final substrate was examined down to the atomic level by scanning tunneling microscopy (STM). The procedures conducted yielded high-quality monolayer MoS2 of milimeter-scale size with an average defect density of 2 × 1013 cm–2. The lift-off from the growth substrate was followed by a release of the tensile strain, visible in a widening of the optical band gap measured by photoluminescence. Subsequent transfer to the Ir(111) surface led to a strong drop of this optical signal but without further shifts of characteristic peaks. The electronic band gap was measured by scanning tunneling spectroscopy (STS), revealing n-doping and lateral nano-scale variations. The combined use of STM imaging and density functional theory (DFT) calculations allows us to identify the most recurring point-like defects as S vacancies.

Atomic-scale defects and electronic properties of a transferred synthesized MoS2 monolayer.

PubMed

Delač Marion, Ida; Čapeta, Davor; Pielić, Borna; Faraguna, Fabio; Gallardo, Aurelio; Pou, Pablo; Biel, Blanca; Vujičić, Nataša; Kralj, Marko

2018-07-27

MoS 2 monolayer samples were synthesized on a SiO 2 /Si wafer and transferred to Ir(111) for nano-scale characterization. The samples were extensively characterized during every step of the transfer process, and MoS 2 on the final substrate was examined down to the atomic level by scanning tunneling microscopy (STM). The procedures conducted yielded high-quality monolayer MoS 2 of milimeter-scale size with an average defect density of 2 × 10 13 cm -2 . The lift-off from the growth substrate was followed by a release of the tensile strain, visible in a widening of the optical band gap measured by photoluminescence. Subsequent transfer to the Ir(111) surface led to a strong drop of this optical signal but without further shifts of characteristic peaks. The electronic band gap was measured by scanning tunneling spectroscopy (STS), revealing n-doping and lateral nano-scale variations. The combined use of STM imaging and density functional theory (DFT) calculations allows us to identify the most recurring point-like defects as S vacancies.

Lattice matched semiconductor growth on crystalline metallic substrates

DOEpatents

Norman, Andrew G; Ptak, Aaron J; McMahon, William E

2013-11-05

Methods of fabricating a semiconductor layer or device and said devices are disclosed. The methods include but are not limited to providing a metal or metal alloy substrate having a crystalline surface with a known lattice parameter (a). The methods further include growing a crystalline semiconductor alloy layer on the crystalline substrate surface by coincident site lattice matched epitaxy. The semiconductor layer may be grown without any buffer layer between the alloy and the crystalline surface of the substrate. The semiconductor alloy may be prepared to have a lattice parameter (a') that is related to the lattice parameter (a). The semiconductor alloy may further be prepared to have a selected band gap.

Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling

DOE PAGES

Zhou, Miao; Ming, Wenmei; Liu, Zheng; ...

2014-11-19

For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a unique approach to create the large-gap 2D TI state on a semiconductor surface, based on first-principles calculations and effective Hamiltonian analysis. We show that when heavy elements with strong spin orbit coupling (SOC) such as Bi and Pb atoms are deposited on a patterned H-Si(111) surface into a hexagonal lattice, they exhibit a 2D TI state with a large energy gap of ≥0.5more » eV. The TI state arises from an intriguing substrate orbital filtering effect that selects a suitable orbital composition around the Fermi level, so that the system can be matched onto a four-band effective model Hamiltonian. Furthermore, it is found that within this model, the SOC gap does not increase monotonically with the increasing strength of SOC. These interesting results may shed new light in future design and fabrication of large-gap topological quantum states.« less

Formation of quantum spin Hall state on Si surface and energy gap scaling with strength of spin orbit coupling.

PubMed

Zhou, Miao; Ming, Wenmei; Liu, Zheng; Wang, Zhengfei; Yao, Yugui; Liu, Feng

2014-11-19

For potential applications in spintronics and quantum computing, it is desirable to place a quantum spin Hall insulator [i.e., a 2D topological insulator (TI)] on a substrate while maintaining a large energy gap. Here, we demonstrate a unique approach to create the large-gap 2D TI state on a semiconductor surface, based on first-principles calculations and effective Hamiltonian analysis. We show that when heavy elements with strong spin orbit coupling (SOC) such as Bi and Pb atoms are deposited on a patterned H-Si(111) surface into a hexagonal lattice, they exhibit a 2D TI state with a large energy gap of ≥ 0.5 eV. The TI state arises from an intriguing substrate orbital filtering effect that selects a suitable orbital composition around the Fermi level, so that the system can be matched onto a four-band effective model Hamiltonian. Furthermore, it is found that within this model, the SOC gap does not increase monotonically with the increasing strength of SOC. These interesting results may shed new light in future design and fabrication of large-gap topological quantum states.

Near infrared group IV optoelectronics and novel pre-cursors for CVD epitaxy

NASA Astrophysics Data System (ADS)

Hazbun, Ramsey Michael

Near infrared and mid infrared optoelectronic devices have become increasingly important for the telecommunications, security, and medical imaging industries. The addition of nitrogen to III-V alloys has been widely studied as a method of modifying the band gap for mid infrared (IR) applications. In xGa1-xSb1-y Ny/InAs strained-layer superlattices with type-II (staggered) energy offsets on GaSb substrates, were modeled using eight-band k˙p simulations to analyze the superlattice miniband energies. Three different zero-stress strain balance conditions are reported: fixed superlattice period thickness, fixed InAs well thickness, and fixed InxGa1-xSb 1-yNy barrier thickness. Optoelectronics have traditionally been the realm of III-V semiconductors due to their direct band gap, while integrated circuit chips have been the realm of Group IV semiconductors such as silicon because of its relative abundance and ease of use. Recently the alloying of Sn with Ge and Si has been shown to allow direct band-gap light emission. This presents the exciting prospect of integrating optoelectronics into current Group IV chip fabrication facilities. However, new approaches for low temperature growth are needed to realize these new SiGeSn alloys. Silicon-germanium epitaxy via ultra-high vacuum chemical vapor deposition has the advantage of allowing low process temperatures. Deposition processes are sensitive to substrate surface preparation and the time delay between oxide removal and epitaxial growth. A new monitoring process utilizing doped substrates and defect decoration etching is demonstrated to have controllable and unique sensitivity to interfacial contaminants. Doped substrates were prepared and subjected to various loading conditions prior to the growth of typical Si/SiGe bilayers. The defect densities were correlated to the concentration of interfacial oxygen suggesting this monitoring process may be an effective complement to monitoring via secondary ion mass spectrometry measurements. The deposition of silicon using tetrasilane as a vapor pre-cursor is described for an ultra-high vacuum chemical vapor deposition tool. The growth rates and morphology of the Si epitaxial layers over a range of temperatures and pressures are presented. In order to understand the suitability of tetrasilane for the growth of SiGe and SiGeSn alloys, the layers were characterized using transmission electron microscopy, x-ray diffraction, spectroscopic ellipsometry, atomic force microscopy, and secondary ion mass spectrometry. To date no n-type doping has been demonstrated in GeSn alloys grown via MBE. A GaP decomposition source was used to grow n-type phosphorus doped GeSn layers on p- Ge substrates. Doping concentrations were calibrated using SIMS measurements. GeSn/Ge heterojunction diodes were grown and fabricated into mesa devices. Diode parameters were extracted from current-voltage measurements. The effects of P and Sn concentrations, metallization, and mesa geometry on device performance are all discussed.

Interface Engineering of Monolayer MoS2/GaN Hybrid Heterostructure: Modified Band Alignment for Photocatalytic Water Splitting Application by Nitridation Treatment.

PubMed

Zhang, Zhaofu; Qian, Qingkai; Li, Baikui; Chen, Kevin J

2018-05-23

Interface engineering is a key strategy to deal with the two-dimensional (2D)/three-dimensional (3D) hybrid heterostructure, since the properties of this atomic-layer-thick 2D material can easily be impacted by the substrate environment. In this work, the structural, electronic, and optical properties of the 2D/3D heterostructure of monolayer MoS 2 on wurtzite GaN surface without and with nitridation interfacial layer are systematically investigated by first-principles calculation and experimental analysis. The nitridation interfacial layer can be introduced into the 2D/3D heterostructure by remote N 2 plasma treatment to GaN sample surface prior to stacking monolayer MoS 2 on top. The calculation results reveal that the 2D/3D integrated heterostructure is energetically favorable with a negative formation energy. Both interfaces demonstrate indirect band gap, which is a benefit for longer lifetime of the photoexcited carriers. Meanwhile, the conduction band edge and valence band edge of the MoS 2 side increases after nitridation treatment. The modification to band alignment is then verified by X-ray photoelectron spectroscopy measurement on MoS 2 /GaN heterostructures constructed by a modified wet-transfer technique, which indicates that the MoS 2 /GaN heterostructure without nitridation shows a type-II alignment with a conduction band offset (CBO) of only 0.07 eV. However, by the deployment of interface nitridation, the band edges of MoS 2 move upward for ∼0.5 eV as a result of the nitridized substrate property. The significantly increased CBO could lead to better electron accumulation capability at the GaN side. The nitridized 2D/3D heterostructure with effective interface treatment exhibits a clean band gap and substantial optical absorption ability and could be potentially used as practical photocatalyst for hydrogen generation by water splitting using solar energy.

Interfacial band alignment and structural properties of nanoscale TiO2 thin films for integration with epitaxial crystallographic oriented germanium

NASA Astrophysics Data System (ADS)

Jain, N.; Zhu, Y.; Maurya, D.; Varghese, R.; Priya, S.; Hudait, M. K.

2014-01-01

We have investigated the structural and band alignment properties of nanoscale titanium dioxide (TiO2) thin films deposited on epitaxial crystallographic oriented Ge layers grown on (100), (110), and (111)A GaAs substrates by molecular beam epitaxy. The TiO2 thin films deposited at low temperature by physical vapor deposition were found to be amorphous in nature, and high-resolution transmission electron microscopy confirmed a sharp heterointerface between the TiO2 thin film and the epitaxially grown Ge with no traceable interfacial layer. A comprehensive assessment on the effect of substrate orientation on the band alignment at the TiO2/Ge heterointerface is presented by utilizing x-ray photoelectron spectroscopy and spectroscopic ellipsometry. A band-gap of 3.33 ± 0.02 eV was determined for the amorphous TiO2 thin film from the Tauc plot. Irrespective of the crystallographic orientation of the epitaxial Ge layer, a sufficient valence band-offset of greater than 2 eV was obtained at the TiO2/Ge heterointerface while the corresponding conduction band-offsets for the aforementioned TiO2/Ge system were found to be smaller than 1 eV. A comparative assessment on the effect of Ge substrate orientation revealed a valence band-offset relation of ΔEV(100) > ΔEV(111) > ΔEV(110) and a conduction band-offset relation of ΔEC(110) > ΔEC(111) > ΔEC(100). These band-offset parameters are of critical importance and will provide key insight for the design and performance analysis of TiO2 for potential high-κ dielectric integration and for future metal-insulator-semiconductor contact applications with next generation of Ge based metal-oxide field-effect transistors.

Growth features and spectroscopic structure investigations of nanoprofiled AlN films formed on misoriented GaAs substrates

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

Seredin, P. V., E-mail: paul@phys.vsu.ru; Goloshchapov, D. L.; Lenshin, A. S.

Nanostructured aluminum-nitride films are formed by reactive ion-plasma sputtering onto GaAs substrates with different orientations. The properties of the films are studied via structural analysis, atomic force microscopy, and infrared and visible–ultraviolet spectroscopy. The aluminum-nitride films can have a refractive index in the range of 1.6–4.0 at a wavelength of ~250 nm and an optical band gap of ~5 eV. It is shown that the morphology, surface composition, and optical characteristics of AlN/GaAs heterophase systems can be controlled using misoriented GaAs substrates.

Structural and optical properties of electron beam evaporated yttria stabilized zirconia thin films

NASA Astrophysics Data System (ADS)

Kirubaharan, A. Kamalan; Kuppusami, P.; Singh, Akash; Dharini, T.; Ramachandran, D.; Mohandas, E.

2015-06-01

Yttria stabilized zirconia (10 mole % Y2O3) thin films were deposited on quartz substrates using electron beam physical vapor deposition at the substrate temperatures in the range 300 - 973 K. XRD analysis showed cubic crystalline phase of YSZ films with preferred orientation along (111). The surface roughness was found to increase with the increase of deposition temperatures. The optical band gap of ˜5.7 eV was calculated from transmittance curves. The variation in the optical properties is correlated with the changes in the microstructural features of the films prepared as a function of substrate temperature.

Study the Effect of Substrate Temperature on Structural and Electrical Properties of Electron Beam Evaporated In{sub 1−x}Sb{sub x} Thin Films

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

Rahul, E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com; Vishwakarma, S. R., E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com; Verma, Aneet Kumar, E-mail: rhl.jaunpur@gmail, E-mail: srvfzb@rediffmail.com

2011-10-20

Indium Antimonide (InSb) is a promising materials for mid and long wavelength infrared and high speed devices applications because of its small band gap. The Indium Antimonide (InSb) thin films have been deposited onto well cleaned glass substrate at different substrate temperatures (300 K, 323 K, 373 K) by electron beam evaporation technique in the high vacuum chamber at vacuum pressure ∼10{sup −5} torr using prepared non‐stoichiometric InSb powder using formula In{sub 1−x}Sb{sub x}(0.2

Sol-gel synthesis and optical properties of titanium dioxide thin film

NASA Astrophysics Data System (ADS)

Ullah, Irfan; Khattak, Shaukat Ali; Ahmad, Tanveer; Saman; Ludhi, Nayab Ali

2018-03-01

The titanium dioxide (TiO2) is synthesized by sol-gel method using titanium-tetra-iso-propoxide (TTIP) as a starting material, and deposited on the pre-cleaned glass substrate using spin coating technique at optimized parameters. Energy dispersive X-ray (EDX) spectroscopy confirms successful TiO2 growth. The optical properties concerning the transmission and absorption spectra show 85% transparency and 3.28 eV wide optical band gap for indirect transition, calculated from absorbance. The exponential behavior of absorption edge is observed and attributed to the localized states electronic transitions, curtailed in the indirect band gap of the thin film. The film reveals decreasing refractive index with increasing wavelength. The photoluminescence (PL) study ascertains that luminescent properties are due to the surface defects.

Resonant electronic Raman scattering of below-gap states in molecular-beam epitaxy grown and liquid-encapsulated Czochralski grown GaAs

NASA Astrophysics Data System (ADS)

Fluegel, B.; Rice, A. D.; Mascarenhas, A.

2018-05-01

Resonant electronic Raman (ER) scattering is used to compare the below-gap excitations in molecular-beam epitaxially grown GaAs and in undoped semi-insulating GaAs substrates. The measurement geometry was designed to eliminate common measurement artifacts caused by the high optical transmission below the fundamental absorption edge. In epitaxial GaAs, ER is a clear Raman signal from the two-electron transitions of donors, eliminating an ambiguity encountered in previous results. In semi-insulating GaAs, ER occurs in a much broader dispersive band well below the bound exciton energies. The difference in the two materials may be due to the occupation of the substrate acceptor states in the presence of the midgap state EL2.

Multilayer graphene growth on polar dielectric substrates using chemical vapour deposition

NASA Astrophysics Data System (ADS)

Karamat, S.; Çelik, K.; Shah Zaman, S.; Oral, A.

2018-06-01

High quality of graphene is necessary for its applications at industrial scale production. The most convenient way is its direct growth on dielectrics which avoid the transfer route of graphene from metal to dielectric substrate usually followed by graphene community. The choice of a suitable dielectric for the gate material which can replace silicon dioxide (SiO2) is in high demand. Various properties like permittivity, thermodynamic stability, film morphology, interface quality, bandgap and band alignment of other dielectrics with graphene needs more exploration. A potential dielectric material is required which could be used to grow graphene with all these qualities. Direct growth of graphene on magnesium oxide (MgO) substrates is an interesting idea and will be a new addition in the library of 2D materials. The present work is about the direct growth of graphene on MgO substrates by an ambient pressure chemical vapour deposition (CVD) method. We address the surface instability issue of the polar oxides which is the most challenging factor in MgO. Atomic force microscopy (AFM) measurements showed the topographical features of the graphene coated on MgO. X-ray photoelectron spectroscopy (XPS) study is carried out to extract information regarding the presence of necessary elements, their bonding with substrates and to confirm the sp-2 hybridization of carbon, which is a characteristic feature of graphene film. The chemical shift is due to the surface reconstruction of MgO in the prepared samples. For graphene-MgO interface, valence band offset (VBO) and conduction band offset (CBO) extracted from valence band spectra reported. Further, we predicted the energy band diagram for single layer and thin film of graphene. By using the room-temperature energy band gap values of MgO and graphene, the CBO is calculated to be 6.85 eV for single layer and 5.66 eV for few layer (1-3) of graphene layers.

Realizing luminescent downshifting in ZnO thin films by Ce doping with enhancement of photocatalytic activity

NASA Astrophysics Data System (ADS)

Narayanan, Nripasree; Deepak, N. K.

2018-04-01

ZnO thin films doped with Ce at different concentration were deposited on glass substrates by spray pyrolysis technique. XRD analysis revealed the phase purity and polycrystalline nature of the films with hexagonal wurtzite geometry and the composition analysis confirmed the incorporation of Ce in the ZnO lattice in the case of doped films. Crystalline quality and optical transmittance diminished while electrical conductivity enhanced with Ce doping. Ce doping resulted in a red-shift of optical energy gap due to the downshift of the conduction band minimum after merging with Ce related impurity bands formed below the conduction band in the forbidden gap. In the room temperature photoluminescence spectra, UV emission intensity of the doped films decreased while the intensity of the visible emission band increased drastically implying the degradation in crystallinity as well as the incorporation of defect levels capable of luminescence downshifting. Ce doping showed improvement in photocatalytic efficiency by effectively trapping the free carriers and then transferring for dye degradation. Thus Ce doped ZnO thin films are capable of acting as luminescent downshifters as well as efficient photocatalysts.

Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study

NASA Astrophysics Data System (ADS)

Yang, Li-Juan; Weng, Ya-Kui; Zhang, Hui-Min; Dong, Shuai

2014-11-01

The compressive strain effect on the magnetic ground state and electronic structure of strained GdTiO3 has been studied using the first-principles method. Unlike the cases of congeneric YTiO3 and LaTiO3, both of which become the A-type antiferromagnetism on the (0 0 1) LaAlO3 substrate despite their contrastive magnetism, the ground state of strained GdTiO3 on the LaAlO3 substrate changes from the original ferromagnetism to a G-type antiferromagnetim, instead of the A-type one although Gd3+ is between Y3+ and La3+. It is only when the in-plane compressive strain is large enough, e.g. on the (0 0 1) YAlO3 substrate, that the ground state finally becomes the A-type. The band structure calculation shows that the compressive strained GdTiO3 remains insulating, although the band gap changes a little in the strained GdTiO3.

Structures and chemical properties of silicene: unlike graphene.

PubMed

Jose, Deepthi; Datta, Ayan

2014-02-18

The discovery of graphene and its remarkable and exotic properties have aroused interest in other elements and molecules that form 2D atomic layers, such as metal chalcogenides, transition metal oxides, boron nitride, silicon, and germanium. Silicene and germanene, the Si and Ge counterparts of graphene, have interesting fundamental physical properties with potential applications in technology. For example, researchers expect that silicene will be relatively easy to incorporate within existing silicon-based electronics. In this Account, we summarize the challenges and progress in the field of silicene research. Theoretical calculations have predicted that silicene possesses graphene-like properties such as massless Dirac fermions that carry charge and the quantum spin Hall effect. Researchers are actively exploring the physical and chemical properties of silicene and tailoring it for wide variety of applications. The symmetric buckling in each of the six-membered rings of silicene differentiates it from graphene and imparts a variety of interesting properties with potential technological applications. The pseudo-Jahn-Teller (PJT) distortion breaks the symmetry and leads to the buckling in silicenes. In graphene, the two sublattice structures are equivalent, which does not allow for the opening of the band gap by an external electric field. However, in silicene where the neighboring Si atoms are displaced alternatively perpendicular to the plane, the intrinsic buckling permits a band gap opening in silicene in the presence of external electric field. Silicene's stronger spin orbit coupling than graphene has far reaching applications in spintronic devices. Because silicon prefers sp(3) hybridization over sp(2), hydrogenation is much easier in silicene. The hydrogenation of silicene to form silicane opens the band gap and increases the puckering angle. Lithiation can suppress the pseudo-Jahn-Teller distortion in silicene and hence can flatten silicene's structure while opening the band gap. So far, chemists have not successfully synthesized and characterized a free-standing silicene. But recently chemists have successfully produced silicene sheets and nanoribbons over various substrates such as silver, diboride thin films, and iridium. The supporting substrate critically controls the electronic properties of silicene, and the match of the appropriate support and its use is critical in applications of silicene.

Photocatalytic performance of highly amorphous titania-silica aerogels with mesopores: The adverse effect of the in situ adsorption of some organic substrates during photodegradation

NASA Astrophysics Data System (ADS)

Lázár, István; Kalmár, József; Peter, Anca; Szilágyi, Anett; Győri, Enikő; Ditrói, Tamás; Fábián, István

2015-11-01

Titania-silica composite aerogels with 16-29% Ti-content by the mass were synthesized by the sol-gel method from different Ti-precursors, and calcined at 500 °C. These aerogels are highly amorphous as no crystalline TiO2 phase can be detected in them by X-ray diffraction methods, and show the dominating presence of either mesopores or macropores. The incorporation of Ti into the silica structure is shown by the appearance of characteristic IR transitions of Sisbnd Osbnd Ti vibrations. The characteristic band-gap energies of the different aerogels are estimated to be between 3.6 and 3.9 eV from UV reflection spectra. Band-gap energy decreases with decreasing pore-size. When suspended in solution, even these highly amorphous aerogels accelerate the photodegradation of salicylic acid and methylene blue compared to simple photolysis. Kinetic experiments were conducted under illumination, and also in the dark to study the adsorption of the substrates onto the suspended aerogels. We assume that the fast in situ adsorption of the organic substrates mask the suspended aerogel particles from UV photons, which reduces the rate of photocatalysis. We managed to mathematically separate the parallel processes of photocatalysis and adsorption, and develop a simple kinetic model to describe the reaction system.

Temperature induced CuInSe2 nanocrystal formation in the Cu2Se-In3Se2 multilayer thin films

NASA Astrophysics Data System (ADS)

Mohan, A.; Rajesh, S.

2017-04-01

The paper deals with the impact of annealing on Cu2Se-In3Se2 multilayer structure and discusses the quantum confinements. Thermal evaporation technique was used to prepare multilayer films over the glass substrates. The films were annealed at different temperatures (150 °C-350 °C) under vacuum atmosphere. The XRD pattern reveals that the films exhibit (112) peaks with CuInSe2 Chalcopyrite structure and upon annealing crystallinity improved. The grain size comes around 13-19 nm. The optical band gap value was found to be 2.21 to 2.09 eV and band gap splitting was observed for higher annealing temperatures. The increase in the band gap is related to quantum confinement effect. SEM image shows nano crystals spread over the entire surface for higher annealing temperatures. Optical absorption and PL spectra shows the blue shift during annealing. The HR-TEM shows the particle size in the nano range and which confirms the CuInSe2 nanocrystal formation. AFM image shows the rough surface with homogenous grains for the as deposited films and smooth surface for annealed films.

Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO2 thin film.

PubMed

Zhou, Jian; Sun, Qiang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

2016-06-07

Exploring a two-dimensional intrinsic quantum spin Hall state with a large band gap as well as an anomalous Hall state in realizable materials is one of the most fundamental and important goals for future applications in spintronics, valleytronics, and quantum computing. Here, by combining first-principles calculations with a tight-binding model, we predict that Sb or Bi can epitaxially grow on a stable and ferromagnetic MnO2 thin film substrate, forming a flat honeycomb sheet. The flatness of Sb or Bi provides an opportunity for the existence of Dirac points in the Brillouin zone, with its position effectively tuned by surface hydrogenation. The Dirac points in spin up and spin down channels split due to the proximity effects induced by MnO2. In the presence of both intrinsic and Rashba spin-orbit coupling, we find two band gaps exhibiting a large band gap quantum spin Hall state and a nearly quantized anomalous Hall state which can be tuned by adjusting the Fermi level. Our findings provide an efficient way to realize both quantized intrinsic spin Hall conductivity and anomalous Hall conductivity in a single material.

Growth and photoluminescence study of several single crystal segments relevant to monolithic semiconductor cascade solar cells

NASA Astrophysics Data System (ADS)

Sillmon, Roger S.; Schreiner, Anton F.; Timmons, Michael

1983-09-01

Several representative single crystal stacked layers of III-V compound and alloy semiconductors were grown which are spatial regions relevant to a monolithic cascade solar cell, including the substrate, n-GaAs(Si), which was pre-growth heat treated in H 2(g) prior to its use. These structures were then studied by cryogenic laser excited photoluminescence (PL), and the substrate portion was explored in a depth profiling mode. Within the forbidden band gap region up to seven recombinations were observed and identified for undoped GaAs layers or the GaAs(Si) substrate, and several other PL recombinations were observed for undoped Al xGa 1- xAs and Al yGa 1- ySb zAs 1- z layers. In addition to the valence and conduction bands, these optical bands are also associa ted with the presence of C Ga, Si Ga, Si As, Cu Ga, V As, V Ga and vacancy-impurity complexes involving several of these defect types even in the absence of intentional doping. The findings also relate to problems of self-compensation and type inversion, so that the need for growth modifications is indicated.

Praseodymium - A Competent Dopant for Luminescent Downshifting and Photocatalysis in ZnO Thin Films

NASA Astrophysics Data System (ADS)

Narayanan, Nripasree; Deepak, N. K.

2018-05-01

Highly transparent and conducting Zinc oxide (ZnO) thin films doped with Praseodymium (Pr) were deposited on glass substrates by using the spray pyrolysis method. The X-ray diffraction (XRD) analysis revealed the polycrystallinity of the deposited films with a hexagonal wurtzite structure, whereas the energy-dispersive X-ray spectroscopy (EDX) analysis confirmed the incorporation of Pr in the films. The optical energy gap decreased by Pr doping due to the merging of the conduction band with the impurity bands formed within the forbidden gap. The room temperature photoluminescence spectra of the Pr-doped film showed enhancement of visible emission, suggesting efficient luminescent downshifting. The photocatalytic activity of the Pr-doped films is higher than that of undoped films due to the effective suppression of the rapid recombination of the photo-generated electron-hole pairs. The impurity levels formed within the forbidden gap act as efficient luminescent centers and electron traps, which lead to luminescent downshifting and enhanced photocatalytic activity.

Electrical properties of amorphous and epitaxial Si-rich silicide films composed of W-atom-encapsulated Si clusters

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

Okada, Naoya, E-mail: okada-naoya@aist.go.jp; Nanoelectronics Research Institute, National Institute of Advanced Industrial Science and Technology, 1-1-1 Higashi, Tsukuba, Ibaraki 305-8562; Institute of Applied Physics, University of Tsukuba, 1-1-1 Tennodai, Tsukuba, Ibaraki 305-8573

We investigated the electrical properties and derived the energy band structures of amorphous Si-rich W silicide (a-WSi{sub n}) films and approximately 1-nm-thick crystalline WSi{sub n} epitaxial films (e-WSi{sub n}) on Si (100) substrates with composition n = 8–10, both composed of Si{sub n} clusters each of which encapsulates a W atom (WSi{sub n} clusters). The effect of annealing in the temperature range of 300–500 °C was also investigated. The Hall measurements at room temperature revealed that a-WSi{sub n} is a nearly intrinsic semiconductor, whereas e-WSi{sub n} is an n-type semiconductor with electron mobility of ∼8 cm{sup 2}/V s and high sheet electron density ofmore » ∼7 × 10{sup 12 }cm{sup −2}. According to the temperature dependence of the electrical properties, a-WSi{sub n} has a mobility gap of ∼0.1 eV and mid gap states in the region of 10{sup 19 }cm{sup −3} eV{sup −1} in an optical gap of ∼0.6 eV with considerable band tail states; e-WSi{sub n} has a donor level of ∼0.1 eV with sheet density in the region of 10{sup 12 }cm{sup −2} in a band gap of ∼0.3 eV. These semiconducting band structures are primarily attributed to the open band-gap properties of the constituting WSi{sub n} cluster. In a-WSi{sub n}, the random network of the clusters generates the band tail states, and the formation of Si dangling bonds results in the generation of mid gap states; in e-WSi{sub n}, the original cluster structure is highly distorted to accommodate the Si lattice, resulting in the formation of intrinsic defects responsible for the donor level.« less

High density of (pseudo) periodic twin-grain boundaries in molecular beam epitaxy-grown van der Waals heterostructure: MoTe{sub 2}/MoS{sub 2}

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

Diaz, Horacio Coy; Ma, Yujing; Chaghi, Redhouane

2016-05-09

Growth of transition metal dichalcogenide heterostructures by molecular beam epitaxy (MBE) promises synthesis of artificial van der Waals materials with controllable layer compositions and separations. Here, we show that MBE growth of 2H-MoTe{sub 2} monolayers on MoS{sub 2} substrates results in a high density of mirror-twins within the films. The grain boundaries are tellurium deficient, suggesting that Te-deficiency during growth causes their formation. Scanning tunneling microscopy and spectroscopy reveal that the grain boundaries arrange in a pseudo periodic “wagon wheel” pattern with only ∼2.6 nm repetition length. Defect states from these domain boundaries fill the band gap and thus give themore » monolayer an almost metallic property. The band gap states pin the Fermi-level in MoTe{sub 2} and thus determine the band-alignment in the MoTe{sub 2}/MoS{sub 2} interface.« less

Fabrication of Single Crystal Gallium Phosphide Thin Films on Glass.

PubMed

Emmer, Hal; Chen, Christopher T; Saive, Rebecca; Friedrich, Dennis; Horie, Yu; Arbabi, Amir; Faraon, Andrei; Atwater, Harry A

2017-07-05

Due to its high refractive index and low absorption coefficient, gallium phosphide is an ideal material for photonic structures targeted at the visible wavelengths. However, these properties are only realized with high quality epitaxial growth, which limits substrate choice and thus possible photonic applications. In this work, we report the fabrication of single crystal gallium phosphide thin films on transparent glass substrates via transfer bonding. GaP thin films on Si (001) and (112) grown by MOCVD are bonded to glass, and then the growth substrate is removed with a XeF 2 vapor etch. The resulting GaP films have surface roughnesses below 1 nm RMS and exhibit room temperature band edge photoluminescence. Magnesium doping yielded p-type films with a carrier density of 1.6 × 10 17  cm -3 that exhibited mobilities as high as 16 cm 2 V -1 s -1 . Due to their unique optical properties, these films hold much promise for use in advanced optical devices.

Fabrication of Single Crystal Gallium Phosphide Thin Films on Glass

DOE PAGES

Emmer, Hal; Chen, Christopher T.; Saive, Rebecca; ...

2017-07-05

Due to its high refractive index and low absorption coefficient, gallium phosphide is an ideal material for photonic structures targeted at the visible wavelengths. However, these properties are only realized with high quality epitaxial growth, which limits substrate choice and thus possible photonic applications. In this work, we report the fabrication of single crystal gallium phosphide thin films on transparent glass substrates via transfer bonding. GaP thin films on Si (001) and (112) grown by MOCVD are bonded to glass, and then the growth substrate is removed with a XeF 2 vapor etch. The resulting GaP films have surface roughnessesmore » below 1 nm RMS and exhibit room temperature band edge photoluminescence. Magnesium doping yielded p-type films with a carrier density of 1.6 × 10 17 cm -3 that exhibited mobilities as high as 16 cm 2V -1s -1. Therefore, due to their unique optical properties, these films hold much promise for use in advanced optical devices.« less

Fabrication of Single Crystal Gallium Phosphide Thin Films on Glass

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

Emmer, Hal; Chen, Christopher T.; Saive, Rebecca

Due to its high refractive index and low absorption coefficient, gallium phosphide is an ideal material for photonic structures targeted at the visible wavelengths. However, these properties are only realized with high quality epitaxial growth, which limits substrate choice and thus possible photonic applications. In this work, we report the fabrication of single crystal gallium phosphide thin films on transparent glass substrates via transfer bonding. GaP thin films on Si (001) and (112) grown by MOCVD are bonded to glass, and then the growth substrate is removed with a XeF 2 vapor etch. The resulting GaP films have surface roughnessesmore » below 1 nm RMS and exhibit room temperature band edge photoluminescence. Magnesium doping yielded p-type films with a carrier density of 1.6 × 10 17 cm -3 that exhibited mobilities as high as 16 cm 2V -1s -1. Therefore, due to their unique optical properties, these films hold much promise for use in advanced optical devices.« less

GaN: From three- to two-dimensional single-layer crystal and its multilayer van der Waals solids

NASA Astrophysics Data System (ADS)

Onen, A.; Kecik, D.; Durgun, E.; Ciraci, S.

2016-02-01

Three-dimensional (3D) GaN is a III-V compound semiconductor with potential optoelectronic applications. In this paper, starting from 3D GaN in wurtzite and zinc-blende structures, we investigated the mechanical, electronic, and optical properties of the 2D single-layer honeycomb structure of GaN (g -GaN ) and its bilayer, trilayer, and multilayer van der Waals solids using density-functional theory. Based on high-temperature ab initio molecular-dynamics calculations, we first showed that g -GaN can remain stable at high temperature. Then we performed a comparative study to reveal how the physical properties vary with dimensionality. While 3D GaN is a direct-band-gap semiconductor, g -GaN in two dimensions has a relatively wider indirect band gap. Moreover, 2D g -GaN displays a higher Poisson ratio and slightly less charge transfer from cation to anion. In two dimensions, the optical-absorption spectra of 3D crystalline phases are modified dramatically, and their absorption onset energy is blueshifted. We also showed that the physical properties predicted for freestanding g -GaN are preserved when g -GaN is grown on metallic as well as semiconducting substrates. In particular, 3D layered blue phosphorus, being nearly lattice-matched to g -GaN , is found to be an excellent substrate for growing g -GaN . Bilayer, trilayer, and van der Waals crystals can be constructed by a special stacking sequence of g -GaN , and they can display electronic and optical properties that can be controlled by the number of g -GaN layers. In particular, their fundamental band gap decreases and changes from indirect to direct with an increasing number of g -GaN layers.

Bandgap engineering in van der Waals heterostructures of blue phosphorene and MoS{sub 2}: A first principles calculation

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

Zhang, Z.Y.; Si, M.S., E-mail: sims@lzu.edu.cn; Peng, S.L.

2015-11-15

Blue phosphorene (BP) was theoretically predicted to be thermally stable recently. Considering its similar in-layer hexagonal lattice to MoS{sub 2}, MoS{sub 2} could be an appropriate substrate to grow BP in experiments. In this work, the van der Waals (vdW) heterostructures are constructed by stacking BP on top of MoS{sub 2}. The thermal stability and electronic structures are evaluated based on first principles calculations with vdW-corrected exchange-correlation functional. The formation of the heterostructures is demonstrated to be exothermic and the most stable stacking configuration is confirmed. The heterostructures BP/MoS{sub 2} preserve both the properties of BP and MoS{sub 2} butmore » exhibit relatively narrower bandgaps due to the interlayer coupling effect. The band structures can be further engineered by applying external electric fields. An indirect–direct bandgap transition in bilayer BP/MoS{sub 2} is demonstrated to be controlled by the symmetry property of the built-in electric dipole fields. - Graphical abstract: An indirect-direct band gap transition occurs in van der Waals heterostructure of MoS{sub 2}/BP under external electric fields which is demonstrated to be controlled by the symmetry of the built-in electric dipole fields. - Highlights: • The stacking of heterostructures of BP/MoS{sub 2} is demonstrated to be exothermic. • This suggests that it is possible to grow BP using MoS{sub 2} as the substrate. • The band structures of the heterostructures are exploited. • It realizes an indirect–direct gap transition under external electric fields. • The symmetry of the built-in electric dipole fields controls such gap transition.« less

Local strain-induced band gap fluctuations and exciton localization in aged WS2 monolayers

NASA Astrophysics Data System (ADS)

Krustok, J.; Kaupmees, R.; Jaaniso, R.; Kiisk, V.; Sildos, I.; Li, B.; Gong, Y.

2017-06-01

Optical properties of aged WS2 monolayers grown by CVD method on Si/SiO2 substrates are studied using temperature dependent photoluminescence and reflectance contrast spectroscopy. Aged WS2 monolayers have a typical surface roughness about 0.5 nm and, in addition, a high density of nanoparticles (nanocaps) with the base diameter about 30 nm and average height of 7 nm. The A-exciton of aged monolayer has a peak position at 1.951 eV while in as-grown monolayer the peak is at about 24 meV higher energy at room temperature. This red-shift is explained using local tensile strain concept, where strain value of 2.1% was calculated for these nanocap regions. Strained nanocaps have lower band gap energy and excitons will funnel into these regions. At T=10K a double exciton and trion peaks were revealed. The separation between double peaks is about 20 meV and the origin of higher energy peaks is related to the optical band gap energy fluctuations caused by random distribution of local tensile strain due to increased surface roughness. In addition, a wide defect related exciton band XD was found at about 1.93 eV in all aged monolayers. It is shown that the theory of localized excitons describes well the temperature dependence of peak position and halfwidth of the A-exciton band. The possible origin of nanocaps is also discussed.

Adsorption and magnetism of bilayer graphene on the MnO polar surface with oxygen vacancies in the interface: First principles study

NASA Astrophysics Data System (ADS)

Ilyasov, Victor V.; Ershov, Igor V.; Popova, Inna G.; Pham, Khang D.; Nguyen, Chuong V.

2018-05-01

In this paper, we investigate systematically the structural, electronic, magnetic and adsorption properties of Bernal-stacked bilayer graphene on MnO(111) surface terminated by an oxygen atom, as a function of nonstoichiometric composition of the BLG/MnOx(111) interface. For additional functionalization of the BLG/MnOx(111) system, we also studied the adsorption properties of oxygen adsorbed on the BLG/MnOx(111) interface. Our results showed that the BLG is bound to the MnOx(111) substrate by the weak interaction for both spin-up and spin-down. Furthermore, we found that BLG adsorbed on the MnOx(111) substrate with a reduced oxygen symmetry in the interface is accompanied with a downshift of the Fermi level, which identifies the band structure of BLG as a p-type semiconductor. Upon interaction between BLG and MnOx(111) substrate, a forbidden gap of about 350 meV was opened between its bonding and antibonding π bands. A forbidden gap and the local magnetic moments in bilayer graphene can be controlled by changing the oxygen nonstoichometry or by oxygen adsorption. Additionally, magnetism has been predicted in the bilayer graphene adsorbed on the polar MnOx(111) surface with oxygen vacancies in the BLG/MnOx(111) interface, and its nature has also been discussed in this work. These results showed that the adsorption of bilayer graphene on the MnO(111) substrate can be used for developing novel generation of electronic and spintronic devices.

Gallium nitride nanoneedles grown in extremely non-equilibrium nitrogen plasma

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

Mangla, O., E-mail: onkarmangla@gmail.com; Physics Department, Hindu College, University of Delhi, Delhi, 110007; Roy, S.

2016-05-23

In the present work, gallium nitride (GaN) nanoneedles are grown on quartz substrates using the high fluence ions of GaN produced by hot, dense and extremely non-equlibrium nitrogen plasma in a modified dense plasma focus device. The formation of nanoneedles is obtained from the scanning electron microscopy with mean size of the head of nanoneedles ~ 70 nm. The nanoneedles are found to be poly-crystalline when studied structurally through the X-ray diffraction. The optical properties of nanoneedles studied using absorption spectra which show more absorption for nanoneedles depsoited one shot of ions irradiation. In addition, the band gap of nanoneedles ismore » found to be increased as compared to bulk GaN. The obtained nanoneedles with increased band gap have potential applications in detector systems.« less

Structural, electrical, optical and magnetic properties of NiO/ZnO thin films

NASA Astrophysics Data System (ADS)

Sushmitha, V.; Maragatham, V.; Raj, P. Deepak; Sridharan, M.

2018-02-01

Nickel oxide/Zinc oxide (NiO/ZnO) thin films have been deposited onto thoroughly cleaned glass substrates by reactive direct current (DC) magnetron sputtering technique and subsequently annealed at 300 °C for 3 h in vacuum. The NiO/ZnO thin films were then studied for their structural, optical and electrical properties. X-ray diffraction (XRD) pattern of ZnO and NiO showed the diffraction planes corresponding to hexagonal and cubic phase respectively. The optical properties showed that with the increase in the deposition time of NiO the energy band gap varied between 3.1 to 3.24 eV. Hence, by changing the deposition time of NiO the tuning of band gap and conductivity were achieved. The magnetic studies revealed the diamagnetic nature of the NiO/ZnO thin films.

Sputtered deposited nanocrystalline ZnO films: A correlation between electrical, optical and microstructural properties

NASA Astrophysics Data System (ADS)

Lee, J.; Gao, W.; Li, Z.; Hodgson, M.; Metson, J.; Gong, H.; Pal, U.

2005-05-01

Zinc oxide thin films were prepared by dc (direct current) and rf (radio frequency) magnetron sputtering on glass substrates. ZnO films produced by dc sputtering have a high resistance, while the films produced using rf sputtering are significantly more conductive. While the conductive films have a compact nodular surface morphology, the resistive films have a relatively porous surface with columnar structures in cross section. Compared to the dc sputtered films, rf sputtered films have a microstructure with smaller d spacing, lower internal stress, higher band gap energy and higher density. Dependence of conductivity on the deposition technique and the resulting d spacing , stress, density, band gap, film thickness and Al doping are discussed. Correlations between the electrical conductivity, microstructural parameters and optical properties of the films have been made.

Enhanced optical band-gap of ZnO thin films by sol-gel technique

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

Raghu, P., E-mail: dpr3270@gmail.com; Naveen, C. S.; Shailaja, J.

2016-05-06

Transparent ZnO thin films were prepared using different molar concentration (0.1 M, 0.2 M & 0.8 M) of zinc acetate on soda lime glass substrates by the sol-gel spin coating technique. The optical properties revealed that the transmittance found to decrease with increase in molar concentration. Absorption edge showed that the higher concentration film has increasingly red shifted. An increased band gap energy of the thin films was found to be direct allowed transition of ∼3.9 eV exhibiting their relevance for photovoltaic applications. The extinction coefficient analysis revealed maximum transmittance with negligible absorption coefficient in the respective wavelengths. The resultsmore » of ZnO thin film prepared by sol-gel technique reveal its suitability for optoelectronics and as a window layer in solar cell applications.« less

Resonant electronic Raman scattering of below-gap states in molecular-beam epitaxy grown and liquid-encapsulated Czochralski grown GaAs

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

Fluegel, B.; Rice, A. D.; Mascarenhas, A.

Resonant electronic Raman (ER) scattering is used to compare the below-gap excitations in molecular-beam epitaxially grown GaAs and in undoped semi-insulating GaAs substrates. The measurement geometry was designed to eliminate common measurement artifacts caused by the high optical transmission below the fundamental absorption edge. In epitaxial GaAs, ER is a clear Raman signal from the two-electron transitions of donors, eliminating an ambiguity encountered in previous results. In semi-insulating GaAs, ER occurs in a much broader dispersive band well below the bound exciton energies. Furthermore, the difference in the two materials may be due to the occupation of the substrate acceptormore » states in the presence of the midgap state EL2.« less

Chemical spray pyrolyzed kesterite Cu2ZnSnS4 (CZTS) thin films

NASA Astrophysics Data System (ADS)

Khalate, S. A.; Kate, R. S.; Deokate, R. J.

2018-04-01

Pure kesterite phase thin films of Cu2ZnSnS4 (CZTS) were synthesized at different substrate temperatures using sulphate precursors by spray pyrolysis method. The significance of synthesis temperature on the structural, morphological and optical properties has been studied. The X-ray analysis assured that synthesized CZTS thin films showing pure kesterite phase. The value of crystallite size was found maximum at the substrate temperature 400 °C. At the same temperature, microstructural properties such as dislocation density, micro-strain and stacking fault probability were found minimum. The morphological examination designates the development of porous and uniform CZTS thin films. The synthesized CZTS thin films illustrate excellent optical absorption (105 cm-1) in the visible band and the optical band gap varies in the range of 1.489 eV to 1.499 eV.

Structural studies of n-type nc-Si-QD thin films for nc-Si solar cells

NASA Astrophysics Data System (ADS)

Das, Debajyoti; Kar, Debjit

2017-12-01

A wide optical gap nanocrystalline silicon (nc-Si) dielectric material is a basic requirement at the n-type window layer of nc-Si solar cells in thin film n-i-p structure on glass substrates. Taking advantage of the high atomic-H density inherent to the planar inductively coupled low-pressure (SiH4 + CH4)-plasma, development of an analogous material in P-doped nc-Si-QD/a-SiC:H network has been tried. Incorporation of C in the Si-network extracted from the CH4 widens the optical band gap; however, at enhanced PH3-dilution of the plasma spontaneous miniaturization of the nc-Si-QDs below the dimension of Bohr radius (∼4.5 nm) further enhances the band gap by virtue of the quantum size effect. At increased flow rate of PH3, dopant induced continuous amorphization of the intrinsic crystalline network is counterbalanced by the further crystallization promoted by the supplementary atomic-H extracted from PH3 (1% in H2) in the plasma, eventually holding a moderately high degree of crystallinity. The n-type wide band gap (∼1.93 eV) window layer with nc-Si-QDs in adequate volume fraction (∼52%) could furthermore be instrumental as an effective seed layer for advancing sequential crystallization in the i-layer of nc-Si solar cells with n-i-p structure in superstrate configuration.

Antimicrobial effect of TiO2 doped with Ag and Cu on Escherichia coli and Pseudomonas putida

NASA Astrophysics Data System (ADS)

Angelov, O.; Stoyanova, D.; Ivanova, I.

2016-10-01

Antimicrobial effect of TiO2 doped with Ag and Cu on Gram-negative bacteria Escherichia coli and Pseudomonas putida is studied. The thin films are deposited on glass substrates without heating during the deposition by r.f. magnetron co-sputtering of TiO2 target and pieces of Ag and Cu. The studied films, thickness about 65 nm, were as deposited and annealed (5200C, 4h, N2+5%H2, 4Pa). The as deposited thin films TiO2:Ag:Cu have band gap energy of 3.56 eV little higher than the band gap of crystalline anatase TiO2 which can be explained with the quantum effect of the granular structure of r.f. magnetron sputtered films. The annealed samples have band gap of 2.52 eV due to formation of donor levels from Ag and Cu atoms near the bottom of the conduction band. The toxic effect was determined through the classical Koch's method and the optical density measurements at λ=610 nm. The as deposited TiO2:Ag:Cu thin films demonstrate stronger inhibition effect - bactericidal for P. putida and bacteriostatic for E. coli (up to the 6th hour) in comparison with the annealed samples. The both methods of study show the same trends of the bacterial growth independently of their different sensitivity which confirms the observed effect.

Density-functional theory molecular dynamics simulations of a-HfO2/a-SiO2/SiGe and a-HfO2/a-SiO2/Ge with a-SiO2 and a-SiO suboxide interfacial layers

NASA Astrophysics Data System (ADS)

Chagarov, Evgueni A.; Kavrik, Mahmut S.; Fang, Ziwei; Tsai, Wilman; Kummel, Andrew C.

2018-06-01

Comprehensive Density-Functional Theory (DFT) Molecular Dynamics (MD) simulations were performed to investigate interfaces between a-HfO2 and SiGe or Ge semiconductors with fully-stoichiometric a-SiO2 or sub-oxide SiO interlayers. The electronic structure of the selected stacks was calculated with a HSE06 hybrid functional. Simulations were performed before and after hydrogen passivation of residual interlayer defects. For the SiGe substrate with Ge termination prior to H passivation, the stacks with a-SiO suboxide interlayer (a-HfO2/a-SiO/SiGe) demonstrate superior electronic properties and wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/SiGe). After H passivation, most of the a-HfO2/a-SiO2/SiGe defects are passivated. To investigate effect of random placement of Si and Ge atoms additional simulations with a randomized SiGe slab were performed demonstrating improvement of electronic structure. For Ge substrates, before H passivation, the stacks with a SiO suboxide interlayer (a-HfO2/a-SiO/Ge) also demonstrate wider band-gaps than the stacks with fully coordinated a-SiO2 interlayers (a-HfO2/a-SiO2/Ge). However, even for a-HfO2/a-SiO/Ge, the Fermi level is shifted close to the conduction band edge (CBM) consistent with Fermi level pinning. Again, after H passivation, most of the a-HfO2/a-SiO2/Ge defects are passivated. The stacks with fully coordinated a-SiO2 interlayers have much stronger deformation and irregularity in the semiconductor (SiGe or Ge) upper layers leading to multiple under-coordinated atoms which create band-edge states and decrease the band-gap prior to H passivation.

Growth and Characterization of Chalcogenide Alloy Nanowires with Controlled Spatial Composition Variation for Optoelectronic Applications

NASA Astrophysics Data System (ADS)

Nichols, Patricia

The energy band gap of a semiconductor material critically influences the operating wavelength of an optoelectronic device. Realization of any desired band gap, or even spatially graded band gaps, is important for applications such as lasers, light-emitting diodes (LEDs), solar cells, and detectors. Compared to thin films, nanowires offer greater flexibility for achieving a variety of alloy compositions. Furthermore, the nanowire geometry permits simultaneous incorporation of a wide range of compositions on a single substrate. Such controllable alloy composition variation can be realized either within an individual nanowire or between distinct nanowires across a substrate. This dissertation explores the control of spatial composition variation in ternary alloy nanowires. Nanowires were grown by the vapor-liquid-solid (VLS) mechanism using chemical vapor deposition (CVD). The gas-phase supersaturation was considered in order to optimize the deposition morphology. Composition and structure were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy dispersive x-ray spectroscopy (EDS), and x-ray diffraction (XRD). Optical properties were investigated through photoluminescence (PL) measurements. The chalcogenides selected as alloy endpoints were lead sulfide (PbS), cadmium sulfide (CdS), and cadmium selenide (CdSe). Three growth modes of PbS were identified, which included contributions from spontaneously generated catalyst. The resulting wires were found capable of lasing with wavelengths over 4000 nm, representing the longest known wavelength from a sub-wavelength wire. For CdxPb1-xS nanowires, it was established that the cooling process significantly affects the alloy composition and structure. Quenching was critical to retain metastable alloys with x up to 0.14, representing a new composition in nanowire form. Alternatively, gradual cooling caused phase segregation, which created heterostructures with light emission in both the visible and mid-infrared regimes. The CdSSe alloy system was fully explored for spatial composition variation. CdSxSe1-x nanowires were grown with composition variation across the substrate. Subsequent contact printing preserved the designed composition gradient and led to the demonstration of a variable wavelength photodetector device. CdSSe axial heterostructure nanowires were also achieved. The growth process involved many variables, including a deliberate and controllable change in substrate temperature. As a result, both red and green light emission was detected from single nanowires.

Origin of band bending at domain boundaries of MoS2: First-principles study

NASA Astrophysics Data System (ADS)

Kaneko, Tomoaki; Saito, Riichiro

2018-04-01

Using first-principles calculations based on density functional theory, the energetics and electronic structure of domain boundaries of MoS2, in which the same polar edges face each other, are investigated. We find that the interface model with homoelemental bonds is not energetically preferred in this system. The domain boundaries have defect levels that have wide distributions inside the band gap of MoS2. The upshift (or downshift) of the MoS2 energy band occurs around the domain boundaries when the occupation number of electrons in the defect levels increases (or decreases). The charge transfer of electrons from the graphite substrate plays an important role in band bending, which is observed in the recent experiments by scanning tunneling microscopy/spectroscopy.

Scalable Low-Band-Gap Sb2Se3 Thin-Film Photocathodes for Efficient Visible-Near-Infrared Solar Hydrogen Evolution.

PubMed

Zhang, Li; Li, Yanbo; Li, Changli; Chen, Qiao; Zhen, Zhen; Jiang, Xin; Zhong, Miao; Zhang, Fuxiang; Zhu, Hongwei

2017-12-26

A highly efficient low-band-gap (1.2-0.8 eV) photoelectrode is critical for accomplishing efficient conversion of visible-near-infrared sunlight into storable hydrogen. Herein, we report an Sb 2 Se 3 polycrystalline thin-film photocathode having a low band gap (1.2-1.1 eV) for efficient hydrogen evolution for wide solar-spectrum utilization. The photocathode was fabricated by a facile thermal evaporation of a single Sb 2 Se 3 powder source onto the Mo-coated soda-lime glass substrate, followed by annealing under Se vapor and surface modification with an antiphotocorrosive CdS/TiO 2 bilayer and Pt catalyst. The fabricated Sb 2 Se 3 (Se-annealed)/CdS/TiO 2 /Pt photocathode achieves a photocurrent density of ca. -8.6 mA cm -2 at 0 V RHE , an onset potential of ca. 0.43 V RHE , a stable photocurrent for over 10 h, and a significant photoresponse up to the near-infrared region (ca. 1040 nm) in near-neutral pH buffered solution (pH 6.5) under AM 1.5G simulated sunlight. The obtained photoelectrochemical performance is attributed to the reliable synthesis of a micrometer-sized Sb 2 Se 3 (Se-annealed) thin film as photoabsorber and the successful construction of an appropriate p-n heterojunction at the electrode-liquid interface for effective charge separation. The demonstration of a low-band-gap and high-performance Sb 2 Se 3 photocathode with facile fabrication might facilitate the development of cost-effective PEC devices for wide solar-spectrum utilization.

Influence of wide band gap oxide substrates on the photoelectrochemical properties and structural disorder of CdS nanoparticles grown by the successive ionic layer adsorption and reaction (SILAR) method

PubMed Central

Malashchonak, Mikalai V; Korolik, Olga V; Streltsov, Еugene А; Kulak, Anatoly I

2015-01-01

Summary The photoelectrochemical properties of nanoheterostructures based on the wide band gap oxide substrates (ZnO, TiO2, In2O3) and CdS nanoparticles deposited by the successive ionic layer adsorption and reaction (SILAR) method have been studied as a function of the CdS deposition cycle number (N). The incident photon-to-current conversion efficiency (IPCE) passes through a maximum with the increase of N, which is ascribed to the competition between the increase in optical absorption and photocarrier recombination. The maximal IPCE values for the In2O3/CdS and ZnO/CdS heterostructures are attained at N ≈ 20, whereas for TiO2/CdS, the appropriate N value is an order of magnitude higher. The photocurrent and Raman spectroscopy studies of CdS nanoparticles revealed the occurrence of the quantum confinement effect, demonstrating the most rapid weakening with the increase of N in ZnO/CdS heterostructures. The structural disorder of CdS nanoparticles was characterized by the Urbach energy (E U), spectral width of the CdS longitudinal optical (LO) phonon band and the relative intensity of the surface optical (SO) phonon band in the Raman spectra. Maximal values of E U (100–120 meV) correspond to СdS nanoparticles on a In2O3 surface, correlating with the fact that the CdS LO band spectral width and intensity ratio for the CdS SO and LO bands are maximal for In2O3/CdS films. A notable variation in the degree of disorder of CdS nanoparticles is observed only in the initial stages of CdS growth (several tens of deposition cycles), indicating the preservation of the nanocrystalline state of CdS over a wide range of SILAR cycles. PMID:26734517

Influence of wide band gap oxide substrates on the photoelectrochemical properties and structural disorder of CdS nanoparticles grown by the successive ionic layer adsorption and reaction (SILAR) method.

PubMed

Malashchonak, Mikalai V; Mazanik, Alexander V; Korolik, Olga V; Streltsov, Еugene А; Kulak, Anatoly I

2015-01-01

The photoelectrochemical properties of nanoheterostructures based on the wide band gap oxide substrates (ZnO, TiO2, In2O3) and CdS nanoparticles deposited by the successive ionic layer adsorption and reaction (SILAR) method have been studied as a function of the CdS deposition cycle number (N). The incident photon-to-current conversion efficiency (IPCE) passes through a maximum with the increase of N, which is ascribed to the competition between the increase in optical absorption and photocarrier recombination. The maximal IPCE values for the In2O3/CdS and ZnO/CdS heterostructures are attained at N ≈ 20, whereas for TiO2/CdS, the appropriate N value is an order of magnitude higher. The photocurrent and Raman spectroscopy studies of CdS nanoparticles revealed the occurrence of the quantum confinement effect, demonstrating the most rapid weakening with the increase of N in ZnO/CdS heterostructures. The structural disorder of CdS nanoparticles was characterized by the Urbach energy (E U), spectral width of the CdS longitudinal optical (LO) phonon band and the relative intensity of the surface optical (SO) phonon band in the Raman spectra. Maximal values of E U (100-120 meV) correspond to СdS nanoparticles on a In2O3 surface, correlating with the fact that the CdS LO band spectral width and intensity ratio for the CdS SO and LO bands are maximal for In2O3/CdS films. A notable variation in the degree of disorder of CdS nanoparticles is observed only in the initial stages of CdS growth (several tens of deposition cycles), indicating the preservation of the nanocrystalline state of CdS over a wide range of SILAR cycles.

Experimental indication for band gap widening of chalcopyrite solar cell absorbers after potassium fluoride treatment

NASA Astrophysics Data System (ADS)

Pistor, P.; Greiner, D.; Kaufmann, C. A.; Brunken, S.; Gorgoi, M.; Steigert, A.; Calvet, W.; Lauermann, I.; Klenk, R.; Unold, T.; Lux-Steiner, M.-C.

2014-08-01

The implementation of potassium fluoride treatments as a doping and surface modification procedure in chalcopyrite absorber preparation has recently gained much interest since it led to new record efficiencies for this kind of solar cells. In the present work, Cu(In,Ga)Se2 absorbers have been evaporated on alkali containing Mo/soda-lime glass substrates. We report on compositional and electronic changes of the Cu(In,Ga)Se2 absorber surface as a result of a post deposition treatment with KF (KF PDT). In particular, by comparing standard X-ray photoelectron spectroscopy and synchrotron-based hard X-ray photoelectron spectroscopy (HAXPES), we are able to confirm a strong Cu depletion in the absorbers after the KF PDT which is limited to the very near surface region. As a result of the Cu depletion, we find a change of the valence band structure and a shift of the valence band onset by approximately 0.4 eV to lower binding energies which is tentatively explained by a band gap widening as expected for Cu deficient compounds. The KF PDT increased the open circuit voltage by 60-70 mV compared to the untreated absorbers, while the fill factor deteriorated.

Substitutional carbon doping of free-standing and Ru-supported BN sheets: a first-principles study

NASA Astrophysics Data System (ADS)

Berseneva, N.; Komsa, H.-P.; Vierimaa, V.; Björkman, T.; Fan, Z.; Harju, A.; Todorović, M.; Krasheninnikov, A. V.; Nieminen, R. M.

2017-10-01

The development of spatially homogeneous mixed structures with boron (B), nitrogen (N) and carbon (C) atoms arranged in a honeycomb lattice is highly desirable, as they open the possibility of creating stable two-dimensional materials with tunable band gaps. However, at least in the free-standing form, the mixed BCN system is energetically driven towards phase segregation to graphene and hexagonal BN. It is possible to overcome the segregation when BCN material is grown on a particular metal substrate, for example Ru(0 0 0 1), but the stabilization mechanism is still unknown. With the use of density-functional theory we study the energetics of BN/Ru slabs, with different types of configurations of C substitutional defects introduced to the h-BN overlayer. The results are compared to the energetics of free-standing BCN materials. We found that the substrate facilitates the C substitution process in the h-BN overlayer. Thus, more homogeneous BCN material can be grown, overcoming the segregation into graphene and h-BN. In addition, we investigate the electronic and transport gaps in free-standing BCN structures, and assess their mechanical properties and stability. The band gap in mixed BCN free-standing material depends on the concentration of the constituent elements and ranges from zero in pristine graphene to nearly 5 eV in free-standing h-BN. This makes BCN attractive for application in modern electronics.

An experimental investigation of high temperature superconducting microstrip antennas at K- and Ka-band frequencies. Ph.D. Thesis Final Report

NASA Technical Reports Server (NTRS)

Richard, Mark A.

1993-01-01

The recent discovery of high temperature superconductors (HTS) has generated a substantial amount of interest in microstrip antenna applications. However, the high permittivity of substrates compatible with HTS results in narrow bandwidths and high patch edge impedances of such antennas. To investigate the performance of superconducting microstrip antennas, three antenna architectures at K and Ka-band frequencies are examined. Superconducting microstrip antennas that are directly coupled, gap coupled, and electromagnetically coupled to a microstrip transmission line were designed and fabricated on lanthanum aluminate substrates using YBa2Cu3O7 superconducting thin films. For each architecture, a single patch antenna and a four element array were fabricated. Measurements from these antennas, including input impedance, bandwidth, patterns, efficiency, and gain are presented. The measured results show usable antennas can be constructed using any of the architectures. All architectures show excellent gain characteristics, with less than 2 dB of total loss in the four element arrays. Although the direct and gap coupled antennas are the simplest antennas to design and fabricate, they suffer from narrow bandwidths. The electromagnetically coupled antenna, on the other hand, allows the flexibility of using a low permittivity substrate for the patch radiator, while using HTS for the feed network, thus increasing the bandwidth while effectively utilizing the low loss properties of HTS. Each antenna investigated in this research is the first of its kind reported.

Optical properties of three-dimensional P(St-MAA) photonic crystals on polyester fabrics

NASA Astrophysics Data System (ADS)

Liu, Guojin; Zhou, Lan; Wu, Yujiang; Wang, Cuicui; Fan, Qinguo; Shao, Jianzhong

2015-04-01

The three-dimensional (3D) photonic crystals with face-centered cubic (fcc) structure was fabricated on polyester fabrics, a kind of soft textile materials quite different from the conventional solid substrates, by gravitational sedimentation self-assembly of monodisperse P(St-MAA) colloidal microspheres. The optical properties of structural colors on polyester fabrics were investigated and the position of photonic band gap was characterized. The results showed that the color-tuning ways of the structural colors from photonic crystals were in accordance with Bragg's law and could be modulated by the size of P(St-MAA) colloidal microspheres and the viewing angles. The L∗a∗b∗ values of the structural colors generated from the assembled polyester fabrics were in agreement with their reflectance spectra. The photonic band gap position of photonic crystals on polyester fabrics could be consistently confirmed by reflectance and transmittance spectra.

Scalable hydrothermal synthesis of free-standing VO₂ nanowires in the M1 phase.

PubMed

Horrocks, Gregory A; Singh, Sujay; Likely, Maliek F; Sambandamurthy, G; Banerjee, Sarbajit

2014-09-24

VO2 nanostructures derived from solution-phase methods are often plagued by broadened and relatively diminished metal-insulator transitions and adventitious doping due to imperfect control of stoichiometry. Here, we demonstrate a stepwise scalable hydrothermal and annealing route for obtaining VO2 nanowires exhibiting almost 4 orders of magnitude abrupt (within 1 °C) metal-insulator transitions. The prepared nanowires have been characterized across their structural and electronic phase transitions using single-nanowire Raman microprobe analysis, ensemble differential scanning calorimetry, and single-nanowire electrical transport measurements. The electrical band gap is determined to be 600 meV and is consistent with the optical band gap of VO2, and the narrowness of differential scanning calorimetry profiles indicates homogeneity of stoichiometry. The preparation of high-quality free-standing nanowires exhibiting pronounced metal-insulator transitions by a solution-phase process allows for scalability, further solution-phase processing, incorporation within nanocomposites, and integration onto arbitrary substrates.

AFM investigation and optical band gap study of chemically deposited PbS thin films

NASA Astrophysics Data System (ADS)

Zaman, S.; Mansoor, M.; Abubakar; Asim, M. M.

2016-08-01

The interest into deposition of nanocrystalline PbS thin films, the potential of designing and tailoring both the topographical features and the band gap energy (Eg) by controlling growth parameters, has significant technological importance. Nanocrystalline thin films of lead sulfide were grown onto glass substrates by chemical bath deposition (CBD) method. The experiments were carried out by varying deposition temperature. We report on the modification of structural and optical properties as a function of deposition temperature. The morphological changes of the films were analyzed by using SEM and AFM. AFM was also used to calculate average roughness of the films. XRD spectra indicated preferred growth of cubic phase of PbS films in (200) direction with increasing deposition time. Optical properties have been studied by UV-Spectrophotometer. From the diffused reflectance spectra we have calculated the optical Eg shift from 0.649-0.636 eV with increasing deposition time.

Thermal annealing induced structural and optical properties of Se{sub 72}Te{sub 25}In{sub 3} thin films

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

Pathak, H. P.; Dwivedi, D. K., E-mail: todkdwivedi@gmail.com; Shukla, Nitesh

2016-05-06

Thin films of a- Se{sub 72}Te{sub 25}In{sub 3} were prepared by vacuum evaporation technique in a base pressure of 10{sup -6} Torr on to well cleaned glass substrate. a-Se{sub 72}Te{sub 25}In{sub 3} thin films were annealed at different temperatures below their crystallization temperatures for 2h. The structural analysis of the films has been investigated using X-ray diffraction technique. The optical absorption spectra of these films were measured in the wavelength range 400-1100 nm in order to derive the absorption coefficient of these films. The optical band gap of as prepared and annealed films as a function of photon energy hasmore » been studied. It has been found that the optical band gap decreases with increasing annealing temperatures in the present system.« less

Lattice-Matched Epitaxial Graphene Grown on Boron Nitride.

PubMed

Davies, Andrew; Albar, Juan D; Summerfield, Alex; Thomas, James C; Cheng, Tin S; Korolkov, Vladimir V; Stapleton, Emily; Wrigley, James; Goodey, Nathan L; Mellor, Christopher J; Khlobystov, Andrei N; Watanabe, Kenji; Taniguchi, Takashi; Foxon, C Thomas; Eaves, Laurence; Novikov, Sergei V; Beton, Peter H

2018-01-10

Lattice-matched graphene on hexagonal boron nitride is expected to lead to the formation of a band gap but requires the formation of highly strained material and has not hitherto been realized. We demonstrate that aligned, lattice-matched graphene can be grown by molecular beam epitaxy using substrate temperatures in the range 1600-1710 °C and coexists with a topologically modified moiré pattern with regions of strained graphene which have giant moiré periods up to ∼80 nm. Raman spectra reveal narrow red-shifted peaks due to isotropic strain, while the giant moiré patterns result in complex splitting of Raman peaks due to strain variations across the moiré unit cell. The lattice-matched graphene has a lower conductance than both the Frenkel-Kontorova-type domain walls and also the topological defects where they terminate. We relate these results to theoretical models of band gap formation in graphene/boron nitride heterostructures.

Observation of shift in band gap with annealing in hydrothermally synthesized TiO2-thin films

NASA Astrophysics Data System (ADS)

Pawar, Vani; Jha, Pardeep K.; Singh, Prabhakar

2018-05-01

Anatase TiO2 thin films were synthesized by hydrothermal method. The films were fabricated on a glass substrate by spin coating unit and annealed at 500 °C for 2 hours in ambient atmosphere. The effect of annealing on microstructure and optical properties of TiO2 thin films namely, just deposited and annealed thin film were investigated. The XRD data confirms the tetragonal crystalline structure of the films with space group I41/amd. The surface morphology suggests that TiO2 particles are almost homogeneous in size and annealing of the film affect the grain growth of the particles. The band gap energy increases from 2.81 to 3.34 eV. On the basis of our observation, it can be concluded that the annealing of TiO2 thin films enhances the absorption range and it may find potential application in the field of solar cells.

A study on micro-structural and optical parameters of InxSe1-x thin film

NASA Astrophysics Data System (ADS)

Patel, P. B.; Desai, H. N.; Dhimmar, J. M.; Modi, B. P.

2018-04-01

Thin film of Indium Selenide (InSe) has been deposited by thermal evaporation technique onto pre cleaned glass substrate under high vacuum condition. The micro-structural and optical properties of InxSe1-x (x = 0.6, 1-x = 0.4) thin film have been characterized by X-ray diffractrometer (XRD) and UV-Visible spectrophotometer. The XRD spectra showed that InSe thin film has single phase hexagonal structure with preferred orientation along (1 1 0) direction. The micro-structural parameters (crystallite size, lattice strain, dislocation density, domain population) for InSe thin film have been calculated using XRD spectra. The optical parameters (absorption, transmittance, reflectance, energy band gap, Urbach energy) of InSe thin film have been evaluated from absorption spectra. The direct energy band gap and Urbach energy of InSe thin film is found to be 1.90 eV and 235 meV respectively.

New type of quantum spin Hall insulators in hydrogenated PbSn thin films

PubMed Central

Liu, Liang; Qin, Hongwei; Hu, Jifan

2017-01-01

The realization of a quantum spin Hall (QSH) insulator working at high temperature is of both scientific and technical interest since it supports spin-polarized and dssipationless edge states. Based on first-principle calculations, we predicted that the two-dimensional (2D) binary compound of lead and tin (PbSn) in a buckled honeycomb framework can be tuned into a topological insulator with huge a band gap and structural stability via hydrogenation or growth on special substrates. This heavy-element-based structure is sufficiently ductile to survive the 18 ps molecular dynamics (MD) annealing to 400 K, and the band gap opened by strong spin-orbital-coupling (SOC) is as large as 0.7 eV. These characteristics indicate that hydrogenated PbSn (H-PbSn) is an excellent platform for QSH realization at high temperature. PMID:28218297

A survey of acceptor dopants for β-Ga2O3

NASA Astrophysics Data System (ADS)

Lyons, John L.

2018-05-01

With a wide band gap, high critical breakdown voltage and commercially available substrates, Ga2O3 is a promising material for next-generation power electronics. Like most wide-band-gap semiconductors, obtaining better control over its electrical conductivity is critically important, but has proven difficult to achieve. Although efficient p-type doping in Ga2O3 is not expected, since theory and experiment indicate the self-trapping of holes, the full development of this material will require a better understanding of acceptor dopants. Here the properties of group 2, group 5 and group 12 acceptor impurities in β-Ga2O3 are explored using hybrid density functional calculations. All impurities are found to exhibit acceptor transition levels above 1.3 eV. After examining formation energies as a function of chemical potential, Mg (followed closely by Be) is determined to be the most stable acceptor species.

Growth and characterization of chalcostibite CuSbSe2 thin films for photovoltaic application

NASA Astrophysics Data System (ADS)

Tiwari, Kunal J.; Vinod, Vijay; Subrahmanyam, A.; Malar, P.

2017-10-01

Bulk copper antimony selenide was synthesized using mechanical alloying from the elemental precursors. Phase formation in milled powders was studied using x-ray diffraction (XRD) and Raman spectroscopy studies. The synthesized bulk source after cold compaction was used as source material for thin film deposition by e-beam evaporation. Thin film deposition was carried out at various e-beam current values (Ib ∼30, 40 and 50 mA) and at a substrate temperature of 200 °C. Near stoichiometric CuSbSe2 thin films were obtained for Ib values closer to 50 mA and post annealing at a temperature of 380 °C for 1 h. Thin films deposited using above conditions were found to exhibit an absorption coefficient (α) values of >105 cm-1 and a band gap value ∼1.18 eV that is closer to the reported band gap for CuSbSe2 compound.

Preparation and characterization of CuInS2 absorber layers by sol-gel method for solar cell applications

NASA Astrophysics Data System (ADS)

Amerioun, M. H.; Ghazi, M. E.; Izadifard, M.; Bahramian, B.

2016-04-01

CuInSe2 , CuInS2 ( CIS2 and CuInGaS2 alloys and their compounds with band gaps between 1.05 and 1.7eV are absorbance materials based on chalcopyrite, in which, because of their suitable direct band gap, high absorbance coefficient and short carrier diffusion are used as absorbance layers in solar cells. In this work, the effects of decrease in p H and thickness variation on characteristics of the CIS2 absorber layers, grown by spin coating on glass substrates, are investigated. Furthermore by using thiourea as a sulphur source in solvent, the sulfurization of layers was done easier than other sulfurization methods. Due to the difficulty in dissolving thiourea in the considered solvent that leads to a fast deposition during the dissolving process, precise conditions are employed in order to prepare the solution. In fact, this procedure can facilitate the sulfurization process of CuIn layers. The results obtained from this investigation indicate reductions in absorbance and band gap in the visible region of the spectrum as a result of decrease in p H. Finally, conductivity of layers is studied by the current vs. voltage curve that represents reduction of electrical resistance with decrease and increase in p H and thickness, respectively.

Gate-defined quantum confinement in suspended bilayer graphene

NASA Astrophysics Data System (ADS)

Allen, M. T.; Martin, J.; Yacoby, A.

2012-07-01

Quantum-confined devices that manipulate single electrons in graphene are emerging as attractive candidates for nanoelectronics applications. Previous experiments have employed etched graphene nanostructures, but edge and substrate disorder severely limit device functionality. Here we present a technique that builds quantum-confined structures in suspended bilayer graphene with tunnel barriers defined by external electric fields that open a bandgap, thereby eliminating both edge and substrate disorder. We report clean quantum dot formation in two regimes: at zero magnetic field B using the energy gap induced by a perpendicular electric field and at B>0 using the quantum Hall ν=0 gap for confinement. Coulomb blockade oscillations exhibit periodicity consistent with electrostatic simulations based on local top-gate geometry, a direct demonstration of local control over the band structure of graphene. This technology integrates single electron transport with high device quality and access to vibrational modes, enabling broad applications from electromechanical sensors to quantum bits.

Quality improvements of ZnxCdyMg1-x-ySe layers grown on InP substrates by a thin ZnCdSe interfacial layer

NASA Astrophysics Data System (ADS)

Zeng, L.; Yang, B. X.; Tamargo, M. C.; Snoeks, E.; Zhao, L.

1998-03-01

The quality of lattice-matched ZnxCdyMg1-x-ySe epitaxial layers grown on (001) InP substrates with a III-V buffer layer has been improved by initially growing a ZnCdSe interfacial layer (50 Å) at low temperature. The widths of double crystal x-ray rocking curves for ZnxCdyMg1-x-ySe epilayers with band gaps as high as 3.05 eV were reduced to about 70 arcsec. The defect density evaluated from etch pit density and plan-view transmission electron microscopy measurements was reduced by two orders of magnitude, to 106-107cm-2. The photoluminescence band edge emission became more symmetric and slightly narrower. It is proposed that an initial two-dimensional growth mode has been achieved by incorporating such a lattice-matched ZnCdSe layer.

One-step synthesis and patterning of aligned polymer nanowires on a substrate

DOEpatents

Wang, Zhong L [Marietta, GA; Wang, Xudong [Atlanta, GA; Morber, Jenny R [Atlanta, GA; Liu, Jin [Danbury, CT

2011-11-08

In a method of making a polymer structure on a substrate a layer of a first polymer, having a horizontal top surface, is applied to a surface of the substrate. An area of the top surface of the polymer is manipulated to create an uneven feature that is plasma etched to remove a first portion from the layer of the first polymer thereby leaving the polymer structure extending therefrom. A light emitting structure includes a conductive substrate from which an elongated nanostructure of a first polymer extends. A second polymer coating is disposed about the nanostructure and includes a second polymer, which includes a material such that a band gap exists between the second polymer coating and the elongated nanostructure. A conductive material coats the second polymer coating. The light emitting structure emits light when a voltage is applied between the conductive substrate and the conductive coating.

Lattice matched crystalline substrates for cubic nitride semiconductor growth

DOEpatents

Norman, Andrew G; Ptak, Aaron J; McMahon, William E

2015-02-24

Disclosed embodiments include methods of fabricating a semiconductor layer or device and devices fabricated thereby. The methods include, but are not limited to, providing a substrate having a cubic crystalline surface with a known lattice parameter and growing a cubic crystalline group III-nitride alloy layer on the cubic crystalline substrate by coincident site lattice matched epitaxy. The cubic crystalline group III-nitride alloy may be prepared to have a lattice parameter (a') that is related to the lattice parameter of the substrate (a). The group III-nitride alloy may be a cubic crystalline In.sub.xGa.sub.yAl.sub.1-x-yN alloy. The lattice parameter of the In.sub.xGa.sub.yAl.sub.1-x-yN or other group III-nitride alloy may be related to the substrate lattice parameter by (a')= 2(a) or (a')=(a)/ 2. The semiconductor alloy may be prepared to have a selected band gap.

The investigation of the Cr doped ZnO thin films deposited by thermionic vacuum arc technique

NASA Astrophysics Data System (ADS)

Mohammadigharehbagh, Reza; Pat, Suat; Musaoglu, Caner; Korkmaz, Şadan; Özen, Soner

2018-02-01

Cr doped ZnO thin films were prepared onto glass and polyethylene terephthalate (PET) substrates using thermionic vacuum arc. XRD patterns show the polycrystalline nature of the films. Cr, Zn, ZnO and Cr2O3 were detected in the layers. The mean crystallite sizes of the films were calculated about 20 nm for the films onto glass and PET substrates. The maximum dislocation density and internal strain values of the films are calculated. According to the optical analysis, the average transmittance and reflectance of the films were found to be approximately 53% and 16% for glass and PET substrates, respectively. The mean refractive index of the layer decreased to 2.15 from 2.38 for the PET substrate. The band gap values of the Cr-doped ZnO thin films were determined as 3.10 and 3.13 eV for glass and PET substrates.

Growth of indium gallium arsenide thin film on silicon substrate by MOCVD technique

NASA Astrophysics Data System (ADS)

Chowdhury, Sisir; Das, Anish; Banerji, Pallab

2018-05-01

Indium gallium arsenide (InGaAs) thin film with indium phosphide (InP) buffer has been grown on p-type silicon (100) by Metal Organic Chemical Vapor Deposition (MOCVD) technique. To get a lattice matched substrate an Indium Phosphide buffer thin film is deposited onto Si substrate prior to InGaAs growth. The grown films have been investigated by UV-Vis-NIR reflectance spectroscopy. The band gap energy of the grown InGaAs thin films determined to be 0.82 eV from reflectance spectrum and the films are found to have same thickness for growth between 600 °C and 650 °C. Crystalline quality of the grown films has been studied by grazing incidence X-ray diffractometry (GIXRD).

Selective femtosecond laser structuring of dielectric thin films with different band gaps: a time-resolved study of ablation mechanisms

NASA Astrophysics Data System (ADS)

Rapp, Stephan; Schmidt, Michael; Huber, Heinz P.

2016-12-01

Ultrashort pulse lasers have been increasingly gaining importance for the selective structuring of dielectric thin films in industrial applications. In a variety of works the ablation of thin SiO2 and SiNx films from Si substrates has been investigated with near infrared laser wavelengths with photon energies of about 1.2 eV where both dielectrics are transparent (E_{{gap,SiO2}}≈ 8 eV; E_{{gap,SiN}x}≈ 2.5 eV). In these works it was found that few 100 nm thick SiO2 films are selectively ablated with a "lift-off" initiated by confined laser ablation whereas the SiN_{{x}} films are ablated by a combination of confined and direct laser ablation. In the work at hand, ultrafast pump-probe imaging was applied to compare the laser ablation dynamics of the two thin film systems directly with the uncoated Si substrate—on the same setup and under identical parameters. On the SiO2 sample, results show the pulse absorption in the Si substrate, leading to the confined ablation of the SiO2 layer by the expansion of the substrate. On the SiN_{{x}} sample, direct absorption in the layer is observed leading to its removal by evaporation. The pump-probe measurements combined with reflectivity corrected threshold fluence investigations suggest that melting of the Si substrate is sufficient to initiate the lift-off of an overlaying transparent film—evaporation of the substrate seems not to be necessary.

Research on low-frequency band gap property of a hybrid phononic crystal

NASA Astrophysics Data System (ADS)

Dong, Yake; Yao, Hong; Du, Jun; Zhao, Jingbo; Chao, Ding; Wang, Benchi

2018-05-01

A hybrid phononic crystal has been investigated. The characteristic frequency of XY mode, transmission loss and displacement vector have been calculated by the finite element method. There are Bragg scattering band gap and local resonance band gap in the band structures. We studied the influence factors of band gap. There are many flat bands in the eigenfrequencies curve. There are many flat bands in the curve. The band gap covers a large range in low frequency. The band gaps cover more than 95% below 3000 Hz.

Spin heat capacity of monolayer and AB-stacked bilayer MoS2 in the presence of exchange magnetic field

NASA Astrophysics Data System (ADS)

Hoi, Bui Dinh; Yarmohammadi, Mohsen; Mirabbaszadeh, Kavoos

2017-04-01

Dirac theory and Green's function technique are carried out to compute the spin dependent band structures and corresponding electronic heat capacity (EHC) of monolayer (ML) and AB-stacked bilayer (BL) molybdenum disulfide (MoS2) two-dimensional (2D) crystals. We report the influence of induced exchange magnetic field (EMF) by magnetic insulator substrates on these quantities for both structures. The spin-up (down) subband gaps are shifted with EMF from conduction (valence) band to valence (conduction) band at both Dirac points in the ML because of the spin-orbit coupling (SOC) which leads to a critical EMF in the K point and EHC returns to its initial states for both spins. In the BL case, EMF results split states and the decrease (increase) behavior of spin-up (down) subband gaps has been observed at both K and K‧ valleys which is due to the combined effect of SOC and interlayer coupling. For low and high EMFs, EHC of BL MoS2 does not change for spin-up subbands while increases for spin-down subbands.

Organometallic chemical vapor deposition and characterization of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates

NASA Technical Reports Server (NTRS)

Xing, G. C.; Bachmann, K. J.; Posthill, J. B.; Timmons, M. L.

1991-01-01

In this paper, we report the epitaxial growth of ZnGe(1-x)Si(x)P2-Ge alloys on GaP substrates by open tube OMCVD. The chemical composition of the alloys characterized by energy dispersive X-ray spectroscopy shows that alloys with x up to 0.13 can be deposited on (001) GaP. Epitaxial growth with mirror smooth surface morphology has been achieved for x less than or equals to 0.05. Selected area electron diffraction pattern of the alloy shows that the epitaxial layer crystallizes in the chalcopyrite structure with relatively weak superlattice reflections indicating certain degree of randomness in the cation sublattice. Hall measurements show that the alloys are p-type, like the unalloyed films; the carrier concentration, however, dropped about 10 times from 2 x 10 exp 18 to 2 x 10 exp 17/cu cm. Absorption measurements indicate that the band tailing in the absorption spectra of the alloy has been shifted about 0.04 eV towards shorter wavelength as compared to the unalloyed material.

Direct band gap measurement of Cu(In,Ga)(Se,S){sub 2} thin films using high-resolution reflection electron energy loss spectroscopy

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

Heo, Sung; College of Information and Communication Engineering, Sungkyunkwan University, Cheoncheon-dong 300, Jangan-gu, Suwon 440-746; Lee, Hyung-Ik

2015-06-29

To investigate the band gap profile of Cu(In{sub 1−x},Ga{sub x})(Se{sub 1−y}S{sub y}){sub 2} of various compositions, we measured the band gap profile directly as a function of in-depth using high-resolution reflection energy loss spectroscopy (HR-REELS), which was compared with the band gap profile calculated based on the auger depth profile. The band gap profile is a double-graded band gap as a function of in-depth. The calculated band gap obtained from the auger depth profile seems to be larger than that by HR-REELS. Calculated band gaps are to measure the average band gap of the spatially different varying compositions with respectmore » to considering its void fraction. But, the results obtained using HR-REELS are to be affected by the low band gap (i.e., out of void) rather than large one (i.e., near void). Our findings suggest an analytical method to directly determine the band gap profile as function of in-depth.« less

Spatially resolved In and As distributions in InGaAs/GaP and InGaAs/GaAs quantum dot systems.

PubMed

Shen, J; Song, Y; Lee, M L; Cha, J J

2014-11-21

InGaAs quantum dots (QDs) on GaP are promising for monolithic integration of optoelectronics with Si technology. To understand and improve the optical properties of InGaAs/GaP QD systems, detailed measurements of the QD atomic structure as well as the spatial distributions of each element at high resolution are crucial. This is because the QD band structure, band alignment, and optical properties are determined by the atomic structure and elemental composition. Here, we directly measure the inhomogeneous distributions of In and As in InGaAs QDs grown on GaAs and GaP substrates at the nanoscale using energy dispersive x-ray spectral mapping in a scanning transmission electron microscope. We find that the In distribution is broader on GaP than on GaAs, and as a result, the QDs appear to be In-poor using a GaP matrix. Our findings challenge some of the assumptions made for the concentrations and distributions of In within InGaAs/GaAs or InGaAs/GaP QD systems and provide detailed structural and elemental information to modify the current band structure understanding. In particular, the findings of In deficiency and inhomogeneous distribution in InGaAs/GaP QD systems help to explain photoluminescence spectral differences between InGaAs/GaAs and InGaAs/GaP QD systems.

A Novel Design of Circular Edge Bow-Tie Nano Antenna for Energy Harvesting

NASA Astrophysics Data System (ADS)

Haque, Ahasanul; Reza, Ahmed Wasif; Kumar, Narendra

2015-11-01

In this study, a novel nano antenna is designed in order to convert the high frequency solar energy, thermal energy or earth re-emitted sun's energy into electricity. The proposed antenna is gold printed on a SiO2 layer, designed as a circular edge bow-tie with a ground plane at the bottom of the substrate. The Lorentz-Drude model is used to analyze the behavior of gold at the infrared band of frequencies. The proposed antenna is designed by 3D-electromagnetic solver, and analyzed for optimization of metal thickness, gap size, and antenna's geometrical length. Simulations are conducted in order to investigate the behavior of the antenna illuminated by the circularly polarized plane wave. The numerical simulations are studied for improving the harvesting E-field of the antenna within 5 THz-40 THz frequency range. The proposed antenna offers multiple resonance frequency and better return loss within the frequency bands of 23.2 THz to 27 THz (bandwidth 3.8 THz) and 31 THz to 35.9 THz (bandwidth 4.9 THz). An output electric field of 0.656 V/µm is simulated at 25.3 THz. The best fitted gap size at the feed point is achieved as 50 nm with the substrate thickness of 1.2 µm.

Effect of n-type doping level on direct band gap electroluminescence intensity for asymmetric metal/Ge/metal diodes

NASA Astrophysics Data System (ADS)

Maekura, T.; Tanaka, K.; Motoyama, C.; Yoneda, R.; Yamamoto, K.; Nakashima, H.; Wang, D.

2017-10-01

The direct band gap electroluminescence (EL) intensity was investigated for asymmetric metal/Ge/metal diodes fabricated on n-type Ge with doping levels in the range of 4.0 × 1013-3.1 × 1018 cm-3. Up to a doping level of 1016 cm-3 order, commercially available (100) n-Ge substrates were used. To obtain a doping level higher than 1017 cm-3 order, which is commercially unavailable, n+-Ge/p-Ge structures were fabricated by Sb doping on p-type (100) Ge substrates with an in-diffusion at 600 °C followed by a push-diffusion at 700 °C-850 °C. The EL intensity was increased with increasing doping level up to 1.0 × 1018 cm-3. After that, it was decreased with a further increase in n-type doping level. This EL intensity decrease is explained by the decreased number of holes in the active region. One reason is the difficulty in hole injection through the PtGe/n-Ge contact due to the occurring of tunneling electron current. Another reason is the loss of holes caused by both the small thickness of n+-Ge layer and the existence of n+p junction.

Thickness dependent optical properties of PEMA and (PEMA){sub 0.85}/(ZnO){sub 0.15} nanocomposite films deposited by spray pyrolysis technique on ITO substrate

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

Thakur, Anjna, E-mail: anjna56@gmail.com; Thakur, Priya; Yadav, Kamlesh, E-mail: kamlesh.yadav001@gmail.com

2016-05-06

In this paper, poly (ethyl methacrylate) (PEMA) and (PEMA){sub 0.85}/(ZnO){sub 0.15} nanocomposite films for 2, 3, 4 and 5 minutes have been deposited by spray pyrolysis technique on indium tin oxide (ITO) coated substrate. The effect of thickness of the film on the morphological and optical properties of PEMA and (PEMA){sub 0.85}/(ZnO){sub 0.15} nanocomposite films are studied. The morphological and optical properties of pure PEMA and (PEMA){sub 0.85}/(ZnO){sub 0.15} nanocomposite films are compared. The field emission scanning electron microscopy (FESEM) shows that as the thickness of film increases, uniformity of films increases. It is found from UV-Visible spectra that themore » energy band gap decreases with increasing the deposition time and refractive index increases with increasing the thickness of the film. The band gap of the nanocomposites is found less than the pure polymer film and opposite trend is observed for refractive index. The optical absorption of PEMA/ZnO nanocomposite films is higher than pure PEMA film. The thickness of the nanocomposite film plays a significant role in the tunability of the optical properties.« less

Electronic transition and electrical transport properties of delafossite CuCr1-xMgxO2 (0 ≤ x ≤ 12%) films prepared by the sol-gel method: A composition dependence study

NASA Astrophysics Data System (ADS)

Han, M. J.; Duan, Z. H.; Zhang, J. Z.; Zhang, S.; Li, Y. W.; Hu, Z. G.; Chu, J. H.

2013-10-01

Highly transparent CuCr1-xMgxO2 (0 ≤ x ≤ 12%) films were prepared on (001) sapphire substrates by sol-gel method. The microstructure, phonon modes, optical band gap, and electrical transport properties have been systematically discussed. It was found that Mg-doping improved the crystal quality and enhanced the (00l) preferred orientation. The spectral transmittance of films approaches about 70%-75% in the visible-near-infrared wavelength region. With increasing Mg-composition, the optical band gap first declines and climbs up due to the band gap renormalization and Burstein-Moss effect. The direct and indirect band gaps of CuCr0.94Mg0.06O2 film are 3.00 and 2.56 eV, respectively. In addition, it shows a crossover from the thermal activation behavior to that of three-dimensional variable range hopping from temperature-dependent electrical conductivity. The crossover temperature decreases with increasing Mg-doping composition, which can be ascribed to the change of spin-charge coupling between the hole and the local spin at Cr site. It should be noted that the electrical conductivity of CuCr1-xMgxO2 films becomes larger with increasing x value. The highest electrical conductivity of 3.85 S cm-1 at room temperature for x = 12% is four-order magnitude larger than that (8.81 × 10-4 S cm-1) for pure CuCrO2 film. The high spectral transmittance and larger conductivity indicate that Mg-doped CuCrO2 films are promising for optoelectronic device applications.

Research on silicon-carbon alloys and interfaces. Final subcontract report, 15 February 1991--31 July 1994

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

Abelson, J.R.

1995-07-01

This report describes work performed to develop improved p-type wide-band-gap hydrogenated amorphous silicon-carbon alloy (a-Si{sub 1-x}C{sub x:}H) thin films and interfaces for the ``top junction`` in hydrogenated amorphous silicon (a-Si:H)-based p-i-n solar cells. We used direct current reactive magnetron sputtering to deposit undoped a-Si{sub 1-x}C{sub x}H films with a Tauc band gap E{sub g} of 1.90 eV, a sub-band-gap absorption of 0.4 (at 1.2 eV), an Urbach energy of 55 MeV, an ambipolar diffusion length of 100 nm, an air-mass-one photoconductivity of 10{sup {minus}6}/{Omega}-cm, and a dark conductivity of 8{times} 1O{sup {minus}11}/{Omega}-cm. p{sup +}a-Si{sub 1-x}C{sub x}:H films with a Taucmore » band gap of 1.85 eV have a dark conductivity of 8 {times} 10{sup {minus}6}/{Omega}-cm and thermal activation energy of 0.28 eV. We used in-situ spectroscopic ellipsometry and post-growth X-ray photoelectron spectroscopy to determine the relative roles of H and Si in the chemical reduction of SnO{sub 2} in the early stages of film growth. We used in-situ spectroscopic ellipsometry to show that a-Si:H can be transformed into {mu}c-Si:H in a subsurface region under appropriate growth conditions. We also determined substrate cleaning and ion bombardment conditions which improve the adhesion of a-Si{sub 1-x}C{sub x}:H films.« less

Research on local resonance and Bragg scattering coexistence in phononic crystal

NASA Astrophysics Data System (ADS)

Dong, Yake; Yao, Hong; Du, Jun; Zhao, Jingbo; Jiang, Jiulong

2017-04-01

Based on the finite element method (FEM), characteristics of the local resonance band gap and the Bragg scattering band gap of two periodically-distributed vibrator structures are studied. Conditions of original anti-resonance generation are theoretically derived. The original anti-resonance effect leads to localization of vibration. Factors which influence original anti-resonance band gap are analyzed. The band gap width and the mass ratio between two vibrators are closely correlated to each other. Results show that the original anti-resonance band gap has few influencing factors. In the locally resonant structure, the Bragg scattering band gap is found. The mass density of the elastic medium and the elasticity modulus have an important impact on the Bragg band gap. The coexistence of the two mechanisms makes the band gap larger. The band gap covered 90% of the low frequencies below 2000 Hz. All in all, the research could provide references for studying the low-frequency and broad band gap of phononic crystal.

Growth and Characterization of the p-type Semiconductors Tin Sulfide and Bismuth Copper Oxy Selenide

NASA Astrophysics Data System (ADS)

Francis, Jason

BiCuOSe and SnS are layered, moderate band gap (epsilon G ≈ 1 eV) semiconductors that exhibit intrinsic p type conductivity. Doping of BiCuOSe with Ca results in a slight expansion of the lattice and an increase of the hole concentration from 10 18 cm--3 to greater than 1020 cm --3. The large carrier density in undoped films is the result of copper vacancies. Mobility is unaffected by doping, remaining constant at 1.5 cm2V--1s--1 in both undoped and doped films, because the Bi-O layers serve as the source of carriers, while transport occurs within the Cu-Se layers. Bi possesses a 6s2 lone pair that was expected to hybridize with the oxygen p states at the top of the valence band, resulting in high hole mobility as compared to similar materials such as LaCuOSe, which lack this lone pair. However, both LaCuOSe and BiCuOSe have similar hole mobility. X-ray absorption and emission spectroscopy, combined with density functional theory calculations, reveal that the Bi 6 s states contribute deep within the valence band, forming bonding and anti-bonding states with O 2p at 11 eV and 3 eV below the valence band maximum, respectively. Hence, the Bi lone pair does not contribute at the top of the valence band and does not enhance the hole mobility. The Bi 6p states contribute at the bottom of the conduction band, resulting in a smaller band gap for BiCuOSe than LaCuOSe (1 eV vs. 3 eV). SnS is a potential photovoltaic absorber composed of weakly coupled layers stacked along the long axis. This weak coupling results in the formation of strongly oriented films on amorphous substrates. The optical band gap is 1.2 eV, in agreement with GW calculations. Absorption reaches 105 cm--1 within 0.5 eV of the band gap. The p type conduction arises from energetically favorable tin vacancies. Variation of growth conditions yields carrier densities of 1014 -- 1016 cm--3 and hole mobility of 7 -- 15 cm2V--1s--1. SnS was alloyed with rocksalt CaS, which was predicted to form a rocksalt structure when the calcium content is increased past 18%. Films of Sn1--x CaxS with x from 0.4 to 0.9 adopt the rocksalt structure with a band gap of 1.1-1.3 eV, with absorption greater than 105 cm--1 within about 0.7 eV of the band gap. The lattice contracts as the calcium content of the films is increased, reaching 5.7 A when x = 0.93. Films are highly insulating, but Seebeck measurements do indicate p type conduction.

QWIP status and future trends at Thales

NASA Astrophysics Data System (ADS)

Bois, P.; Guériaux, V.; Briere de l'Isle, N.; Manissadjian, A.; Facoetti, H.; Marcadet, X.; Costard, E.; Nedelcu, A.

2012-01-01

Since 2005, Thales is successfully manufacturing QWIPs in high rate production through III-V Lab. All the early claimed advantages of QWIPs are now demonstrated. The versatility of the band-gap engineering allows the custom design of detectors to fulfill specific application requirements in MWIR, LWIR or VLWIR ranges. The maturity of the III-V microelectronics based on GaAs substrates gives uniformity, stability and high production rate. In this presentation we will discuss the specific advantages of this type of detector. An overview of the available performances and production status will be presented including under-development products such as dual band and polarimetric sensors.

Influence of nanoscale faceting on the tunneling properties of near broken gap InAs/AlGaSb heterojunctions grown by selective area epitaxy.

PubMed

Desplanque, L; Fahed, M; Han, X; Chinni, V K; Troadec, D; Chauvat, M-P; Ruterana, P; Wallart, X

2014-11-21

We report on the selective area molecular beam epitaxy of InAs/AlGaSb heterostructures on a GaSb (001) substrate. This method is used to realize Esaki tunnel diodes with a tunneling area down to 50 nm × 50 nm. The impact of the size reduction on the peak current density of the diode is investigated, and we show how the formation of the InAs facets can deeply affect the band-to-band tunneling properties of the heterostructure. This phenomenon is explained by the surface-dependent incorporation of Si dopant during growth.

Characterization of ZnO:SnO{sub 2} (50:50) thin film deposited by RF magnetron sputtering technique

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

Cynthia, S. R.; Sanjeeviraja, C.; Ponmudi, S.

2016-05-06

Zinc oxide (ZnO) and tin oxide (SnO{sub 2}) thin films have attracted significant interest recently for use in optoelectronic application such as solar cells, flat panel displays, photonic devices, laser diodes and gas sensors because of their desirable electrical and optical properties and wide band gap. In the present study, thin films of ZnO:SnO{sub 2} (50:50) were deposited on pre-cleaned microscopic glass substrate by RF magnetron sputtering technique. The substrate temperature and RF power induced changes in structural, surface morphological, compositional and optical properties of the films have been studied.

Defects in mercury-cadmium telluride heteroepitaxial structures grown by molecular-beam epitaxy on silicon substrates

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

Mynbaev, K. D., E-mail: mynkad@mail.ioffe.ru; Zablotsky, S. V.; Shilyaev, A. V.

Defects in mercury-cadmium-telluride heteroepitaxial structures (with 0.3 to 0.4 molar fraction of cadmium telluride) grown by molecular-beam epitaxy on silicon substrates are studied. The low-temperature photoluminescence method reveals that there are comparatively deep levels with energies of 50 to 60 meV and shallower levels with energies of 20 to 30 meV in the band gap. Analysis of the temperature dependence of the minority carrier lifetime demonstrates that this lifetime is controlled by energy levels with an energy of ∼30 meV. The possible relationship between energy states and crystal-structure defects is discussed.

Formation of Degenerate Band Gaps in Layered Systems

PubMed Central

Ignatov, Anton I.; Merzlikin, Alexander M.; Levy, Miguel; Vinogradov, Alexey P.

2012-01-01

In the review, peculiarities of spectra of one-dimensional photonic crystals made of anisotropic and/or magnetooptic materials are considered. The attention is focused on band gaps of a special type—the so called degenerate band gaps which are degenerate with respect to polarization. Mechanisms of formation and properties of these band gaps are analyzed. Peculiarities of spectra of photonic crystals that arise due to the linkage between band gaps are discussed. Particularly, it is shown that formation of a frozen mode is caused by linkage between Brillouin and degenerate band gaps. Also, existence of the optical Borrmann effect at the boundaries of degenerate band gaps and optical Tamm states at the frequencies of degenerate band gaps are analyzed. PMID:28817024

CDTE alloys and their application for increasing solar cell performance

NASA Astrophysics Data System (ADS)

Swanson, Drew E.

Cadmium Telluride (CdTe) thin film solar is the largest manufactured solar cell technology in the United States and is responsible for one of the lowest costs of utility scale solar electricity at a purchase agreement of $0.0387/kWh. However, this cost could be further reduced by increasing the cell efficiency. To bridge the gap between the high efficiency technology and low cost manufacturing, a research and development tool and process was built and tested. This fully automated single vacuum PV manufacturing tool utilizes multiple inline close space sublimation (CSS) sources with automated substrate control. This maintains the proven scalability of the CSS technology and CSS source design but with the added versatility of independent substrate motion. This combination of a scalable deposition technology with increased cell fabrication flexibility has allowed for high efficiency cells to be manufactured and studied. The record efficiency of CdTe solar cells is lower than fundamental limitations due to a significant deficit in voltage. It has been modeled that there are two potential methods of decreasing this voltage deficiency. The first method is the incorporation of a high band gap film at the back contact to induce a conduction-band barrier that can reduce recombination by reflecting electrons from the back surface. The addition of a Cd1-x MgxTe (CMT) layer at the back of a CdTe solar cell should induce this desired offset and reflect both photoelectrons and forward-current electrons away from the rear surface. Higher collection of photoelectrons will increase the cells current and the reduction of forward current will increase the cells voltage. To have the optimal effect, CdTe must have reasonable carrier lifetimes and be fully depleted. To achieve this experimentally, CdTe layers have been grown sufficiently thin to help produce a fully depleted cell. A variety of measurements including performance curves, transmission electron microscopy, x-ray photoelectron spectroscopy, and energy-dispersive x-ray spectroscopy were performed to characterize these cells. Voltage improvements on the order of 50 mV are presented at a thin (1 ?m) CdTe absorber condition. However an overall reduction in fill factor (FF) is seen, with a strong reduction in FF as the magnesium incorporation is increased. Detailed material characterization shows the formation of oxides at the back of CdMgTe during the passivation process. A CdTe capping layer is added to reduce oxidation and help maintain the uniformity of the CdMgTe layer. A tellurium back contact is also added in place of a carbon paint back contact, reducing the impact of the valance band offset (VBO) from the CMT. With the addition of the capping layer and tellurium back contact a consistent 50 mV increase is seen with improved FF. However this voltage increase is well below modeled Voc increases of 150 mV. CMT double hetero-structures are manufactured and analyzed to estimate the interface recombination at the CdTe/CMT interface. The CdTe/CMT interface is approximated at 2*105 cm s-1 and modeling is referenced predicting significant reduction in performance based on this interface quality. To improve interface quality by removing the need for a vacuum break, the deposition hardware is incorporated into the primary deposition system. Second, CdTe has a somewhat higher band gap than optimal for single-junction terrestrial solar-cell power generation. A reduction in the band gap could therefore result in an overall improvement in performance. To reduce the band gap, selenium was alloyed with CdTe using a novel co-sublimation extension of the close-space-sublimation process. Co-sublimated layers of CdSeTe with various selenium concentrations were characterized for optical absorption and atomic concentrations, as well as to track changes in their morphology and crystallinity. The lower band-gap CdSeTe films were then incorporated into the front of CdTe cells. This two-layer band-gap structure demonstrated higher current collection and increased quantum efficiency at longer wavelengths. Material characterization shows the diffusion of selenium through the CdTe during passivation resulting in improved in lifetime and a reduced voltage deficit at lower band gaps.

Determining thin film properties by fitting optical transmittance

NASA Astrophysics Data System (ADS)

Klein, J. D.; Yen, A.; Cogan, S. F.

1990-08-01

The optical transmission spectra of rf sputtered tungsten oxide films on glass substrates were modeled to determine absorption edge behavior, film thickness, and index of refraction. Removal of substrate reflection and absorption phenomena from the experimental spectra allowed direct examination of thin film optical characteristics. The interference fringe pattern allows determination of the film thickness and the dependence of the real index of refraction on wavelength. Knowledge of the interference fringe behavior in the vicinity of the absorption edge was found essential to unambiguous determination of the optical band gap. In particular, the apparently random deviations commonly observed in the extrapolation of as-acquired data are eliminated by explicitly considering interference fringe phenomena. The multivariable optimization fitting scheme employed allows air-film-substrate reflection losses to be compensated without making reflectance measurements.

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

Lima, Jonas R. F., E-mail: jonas.iasd@gmail.com

We study the electronic and transport properties of a graphene-based superlattice theoretically by using an effective Dirac equation. The superlattice consists of a periodic potential applied on a single-layer graphene deposited on a substrate that opens an energy gap of 2Δ in its electronic structure. We find that extra Dirac points appear in the electronic band structure under certain conditions, so it is possible to close the gap between the conduction and valence minibands. We show that the energy gap E{sub g} can be tuned in the range 0 ≤ E{sub g} ≤ 2Δ by changing the periodic potential. We analyze the low energymore » electronic structure around the contact points and find that the effective Fermi velocity in very anisotropic and depends on the energy gap. We show that the extra Dirac points obtained here behave differently compared to previously studied systems.« less

Design of Quad-Band Terahertz Metamaterial Absorber Using a Perforated Rectangular Resonator for Sensing Applications.

PubMed

Xie, Qin; Dong, Guangxi; Wang, Ben-Xin; Huang, Wei-Qing

2018-05-08

Quad-band terahertz absorber with single-sized metamaterial design formed by a perforated rectangular resonator on a gold substrate with a dielectric gap in between is investigated. The designed metamaterial structure enables four absorption peaks, of which the first three peaks have large absorption coefficient while the last peak possesses a high Q (quality factor) value of 98.33. The underlying physical mechanisms of these peaks are explored; it is found that their near-field distributions are different. Moreover, the figure of merit (FOM) of the last absorption peak can reach 101.67, which is much higher than that of the first three absorption modes and even absorption bands of other works operated in the terahertz frequency. The designed device with multiple-band absorption and high FOM could provide numerous potential applications in terahertz technology-related fields.

Design of Quad-Band Terahertz Metamaterial Absorber Using a Perforated Rectangular Resonator for Sensing Applications

NASA Astrophysics Data System (ADS)

Xie, Qin; Dong, Guangxi; Wang, Ben-Xin; Huang, Wei-Qing

2018-05-01

Quad-band terahertz absorber with single-sized metamaterial design formed by a perforated rectangular resonator on a gold substrate with a dielectric gap in between is investigated. The designed metamaterial structure enables four absorption peaks, of which the first three peaks have large absorption coefficient while the last peak possesses a high Q (quality factor) value of 98.33. The underlying physical mechanisms of these peaks are explored; it is found that their near-field distributions are different. Moreover, the figure of merit (FOM) of the last absorption peak can reach 101.67, which is much higher than that of the first three absorption modes and even absorption bands of other works operated in the terahertz frequency. The designed device with multiple-band absorption and high FOM could provide numerous potential applications in terahertz technology-related fields.

Maximizing Tensile Strain in Germanium Nanomembranes for Enhanced Optoelectronic Properties

NASA Astrophysics Data System (ADS)

Sanchez Perez, Jose Roberto

Silicon, germanium, and their alloys, which provide the leading materials platform of microelectronics, are extremely inefficient light emitters because of their indirect fundamental energy band gap. This basic materials property has so far hindered the development of group-IV photonic-active devices, including light emitters and diode lasers, thereby significantly limiting our ability to integrate electronic and photonic functionalities at the chip level. Theoretical studies have predicted that tensile strain in Ge lowers the direct energy band gap relative to the indirect one, and that, with sufficient strain, Ge becomes direct-band gap, thus enabling facile interband light emission and the fabrication of Group IV lasers. It has, however, not been possible to impart sufficient strain to Ge to reach the direct-band gap goal, because bulk Ge fractures at much lower strains. Here it is shown that very thin sheets of Ge(001), called nanomembranes (NMs), can be used to overcome this materials limitation. Germanium nanomembranes (NMs) in the range of thicknesses from 20nm to 100nm were fabricated and then transferred and mounted to a flexible substrate [a polyimide (PI) sheet]. An apparatus was developed to stress the PI/NM combination and provide for in-situ Raman measurements of the strain as a function of applied stress. This arrangement allowed for the introduction of sufficient biaxial tensile strain (>1.7%) to transform Ge to a direct-band gap material, as determined by photoluminescence (PL) measurements and theory. Appropriate shifts in the emission spectrum and increases in PL intensities were observed. The advance in this work was nanomembrane fabrication technology; i.e., making thin enough Ge sheets to accept sufficiently high levels of strain without fracture. It was of interest to determine if the strain at which fracture ultimately does occur can be raised, by evaluating factors that initiate fracture. Attempts to assess the effect of free edges (enchant access holes) on the NM were made and an increase of 35% in the strain to at which crack first formed was found on NMs that lack etchant access holes. Ge NMs were used as a platform to investigate the relationships between surface passivation / functionalization and the physical properties of the material.

Photocatalytic activity of self-assembled porous TiO2 nano-columns array fabricated by oblique angle sputter deposition

NASA Astrophysics Data System (ADS)

Shi, Pengjun; Li, Xibo; Zhang, Qiuju; Yi, Zao; Luo, Jiangshan

2018-04-01

A well-separated and oriented TiO2 nano-columns arrays with porous structure were fabricated by the oblique angle sputter deposition technique and subsequently annealing at 450 °C in Ar/O2 mixed atmosphere. The deposited substrate was firstly modified by a template of self-assembled close-packed arrays of 500 nm-diameter silica (SiO2) spheres. Scanning electronic microscopic (SEM) images show that the porous columnar nanostructure is formed as a result of the geometric shadowing effect and surface diffusion of the adatoms in oblique angle deposition (OAD). X-ray diffraction (XRD) measurements reveal that the physically OAD film with annealing treatment are generally mixed phase of rutile and anatase TiO2 polymorphic forms. The morphology induced absorbance and band gap tuning by different substrates was demonstrated by the UV–vis spectroscopy. The well-separated one-dimensional (1D) nano-columns array with specific large porous surface area is beneficial for charge separation in photocatalytic degradation. Compared with compact thin film, such self-assembled porous TiO2 nano-columns array fabricated by oblique angle sputter deposition performed an enhanced visible light induced photocatalytic activity by decomposing methyl orange (MO) solution. The well-designed periodic array-structured porous TiO2 films by using modified patterned substrates has been demonstrated significantly increased absorption edge in the UV-visible light region with a narrower optical band gap, which are expected to be favorable for application in photovoltaic, lithium-ion insertion and photocatalytic, etc.

Band gap structures for 2D phononic crystals with composite scatterer

NASA Astrophysics Data System (ADS)

Qi, Xiao-qiao; Li, Tuan-jie; Zhang, Jia-long; Zhang, Zhen; Tang, Ya-qiong

2018-05-01

We investigated the band gap structures in two-dimensional phononic crystals with composite scatterer. The composite scatterers are composed of two materials (Bragg scattering type) or three materials (locally resonance type). The finite element method is used to calculate the band gap structure, eigenmodes and transmission spectrum. The variation of the location and width of band gap are also investigated as a function of material ratio in the scatterer. We have found that the change trends the widest band gap of the two phononic crystals are different as the material ratio changing. In addition to this, there are three complete band gaps at most for the Bragg-scattering-type phononic crystals in the first six bands; however, the locally resonance-type phononic crystals exist only two complete band gap at most in the first six bands. The gap-tuning effect can be controlled by the material ratio in the scatterer.

Opening complete band gaps in two dimensional locally resonant phononic crystals

NASA Astrophysics Data System (ADS)

Zhou, Xiaoling; Wang, Longqi

2018-05-01

Locally resonant phononic crystals (LRPCs) which have low frequency band gaps attract a growing attention in both scientific and engineering field recently. Wide complete locally resonant band gaps are the goal for researchers. In this paper, complete band gaps are achieved by carefully designing the geometrical properties of the inclusions in two dimensional LRPCs. The band structures and mechanisms of different types of models are investigated by the finite element method. The translational vibration patterns in both the in-plane and out-of-plane directions contribute to the full band gaps. The frequency response of the finite periodic structures demonstrate the attenuation effects in the complete band gaps. Moreover, it is found that the complete band gaps can be further widened and lowered by increasing the height of the inclusions. The tunable properties by changing the geometrical parameters provide a good way to open wide locally resonant band gaps.

Study of structural and optical properties of ZnS zigzag nanostructured thin films

NASA Astrophysics Data System (ADS)

Rahchamani, Seyyed Zabihollah; Rezagholipour Dizaji, Hamid; Ehsani, Mohammad Hossein

2015-11-01

Zinc sulfide (ZnS) nanostructured thin films of different thicknesses with zigzag shapes have been deposited on glass substrates by glancing angle deposition (GLAD) technique. Employing a homemade accessory attached to the substrate holder enabled the authors to control the substrate temperature and substrate angle. The prepared samples were subjected to X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), atomic force microscopy (AFM) and UV-VIS. spectroscopy techniques. The structural studies revealed that the film deposited at room temperature crystallized in cubic structure. The FESEM images of the samples confirmed the formation of zigzag nano-columnar shape with mean diameter about 60-80 nm. By using the data obtained from optical studies, the real part of the refractive index (n), the absorption coefficient (α) and the band gap (Eg) of the samples were calculated. The results show that the refractive indices of the prepared films are very sensitive to deposition conditions.

Experimental indication for band gap widening of chalcopyrite solar cell absorbers after potassium fluoride treatment

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

Pistor, P., E-mail: paul.pistor@physik.uni-halle.de; Greiner, D.; Kaufmann, C. A.

2014-08-11

The implementation of potassium fluoride treatments as a doping and surface modification procedure in chalcopyrite absorber preparation has recently gained much interest since it led to new record efficiencies for this kind of solar cells. In the present work, Cu(In,Ga)Se{sub 2} absorbers have been evaporated on alkali containing Mo/soda-lime glass substrates. We report on compositional and electronic changes of the Cu(In,Ga)Se{sub 2} absorber surface as a result of a post deposition treatment with KF (KF PDT). In particular, by comparing standard X-ray photoelectron spectroscopy and synchrotron-based hard X-ray photoelectron spectroscopy (HAXPES), we are able to confirm a strong Cu depletionmore » in the absorbers after the KF PDT which is limited to the very near surface region. As a result of the Cu depletion, we find a change of the valence band structure and a shift of the valence band onset by approximately 0.4 eV to lower binding energies which is tentatively explained by a band gap widening as expected for Cu deficient compounds. The KF PDT increased the open circuit voltage by 60–70 mV compared to the untreated absorbers, while the fill factor deteriorated.« less

Interfacial Coupling Effect on Electron Transport in MoS2/SrTiO3 Heterostructure: An Ab-initio Study.

PubMed

Bano, Amreen; Gaur, N K

2018-01-15

A variety of theoretical and experimental works have reported several potential applications of MoS 2 monolayer based heterostructures (HSs) such as light emitting diodes, photodetectors and field effect transistors etc. In the present work, we have theoretically performed as a model case study, MoS 2 monolayer deposited over insulating SrTiO 3 (001) to study the band alignment at TiO 2 termination. The interfacial characteristics are found to be highly dependent on the interface termination. With an insulating oxide material, a significant band gap (0.85eV) is found in MoS 2 /TiO 2 interface heterostructure (HS). A unique electronic band profile with an indirect band gap (0.67eV) is observed in MoS 2 monolayer when confined in a cubic environment of SrTiO 3 (STO). Adsorption analysis showed the chemisorption of MoS 2 on the surface of STO substrate with TiO 2 termination which is justified by the charge density calculations that shows the existence of covalent bonding at the interface. The fabrication of HS of such materials paves the path for developing the unprecedented 2D materials with exciting properties such as semiconducting devices, thermoelectric and optoelectronic applications.

Doping of Semiconducting Atomic Chains

NASA Technical Reports Server (NTRS)

Toshishige, Yamada; Kutler, Paul (Technical Monitor)

1997-01-01

Due to the rapid progress in atom manipulation technology, atomic chain electronics would not be a dream, where foreign atoms are placed on a substrate to form a chain, and its electronic properties are designed by controlling the lattice constant d. It has been shown theoretically that a Si atomic chain is metallic regardless of d and that a Mg atomic chain is semiconducting or insulating with a band gap modified with d. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along the chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of dopant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

NASA Astrophysics Data System (ADS)

Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

2016-10-01

The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.

Effect of Sn Composition in Ge1- x Sn x Layers Grown by Using Rapid Thermal Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Kil, Yeon-Ho; Kang, Sukill; Jeong, Tae Soo; Shim, Kyu-Hwan; Kim, Dae-Jung; Choi, Yong-Dae; Kim, Mi Joung; Kim, Taek Sung

2018-05-01

The Ge1- x Sn x layers were grown by using rapid thermal chemical-vapor deposition (RTCVD) on boron-doped p-type Si (100) substrates with Sn compositions up to x = 0.83%. In order to obtain effect of the Sn composition on the structural and the optical characteristics, we utilized highresolution X-ray diffraction (HR-XRD), etch pit density (EPD), atomic force microscopy (AFM), Raman spectroscopy, and photocurrent (PC) spectra. The Sn compositions in the Ge1- x Sn x layers were found to be of x = 0.00%, 0.51%, 0.65%, and 0.83%. The root-mean-square (RMS) of the surface roughness of the Ge1- x Sn x layer increased from 2.02 nm to 3.40 nm as the Sn composition was increased from 0.51% to 0.83%, and EPD was on the order of 108 cm-2. The Raman spectra consist of only one strong peak near 300 cm-1, which is assigned to the Ge-Ge LO peaks and the Raman peaks shift to the wave number with increasing Sn composition. Photocurrent spectra show near energy band gap peaks and their peak energies decrease with increasing Sn composition due to band-gap bowing in the Ge1- x Sn x layer. An increase in the band gap bowing parameter was observed with increasing Sn composition.

Effect of thickness on surface morphology, optical and humidity sensing properties of RF magnetron sputtered CCTO thin films

NASA Astrophysics Data System (ADS)

Ahmadipour, Mohsen; Ain, Mohd Fadzil; Ahmad, Zainal Arifin

2016-11-01

In this study, calcium copper titanate (CCTO) thin films were deposited on ITO substrates successfully by radio frequency (RF) magnetron sputtering method in argon atmosphere. The CCTO thin films present a polycrystalline, uniform and porous structure. The surface morphology, optical and humidity sensing properties of the synthesized CCTO thin films have been studied by X-ray diffraction (XRD), atomic force microscopy (AFM), field emission scanning electron microscopy (FESEM), energy-dispersive X-ray spectroscopy (EDX), UV-vis spectrophotometer and current-voltage (I-V) analysis. XRD and AFM confirmed that the intensity of peaks and pore size of CCTO thin films were enhanced by increasing the thin films. Tauc plot method was adopted to estimate the optical band gaps. The surface structure and energy band gaps of the deposited films were affected by film thickness. Energy band gap of the layers were 3.76 eV, 3.68 eV and 3.5 eV for 200 nm, 400 nm, and 600 nm CCTO thin films layer, respectively. The humidity sensing properties were measured by using direct current (DC) analysis method. The response times were 12 s, 22 s, and 35 s while the recovery times were 500 s, 600 s, and 650 s for 200 nm, 400 nm, and 600 nm CCTO thin films, respectively at humidity range of 30-90% relative humidity (RH).

New Material Transistor with Record-High Field-Effect Mobility among Wide-Band-Gap Semiconductors.

PubMed

Shih, Cheng Wei; Chin, Albert

2016-08-03

At an ultrathin 5 nm, we report a new high-mobility tin oxide (SnO2) metal-oxide-semiconductor field-effect transistor (MOSFET) exhibiting extremely high field-effect mobility values of 279 and 255 cm(2)/V-s at 145 and 205 °C, respectively. These values are the highest reported mobility values among all wide-band-gap semiconductors of GaN, SiC, and metal-oxide MOSFETs, and they also exceed those of silicon devices at the aforementioned elevated temperatures. For the first time among existing semiconductor transistors, a new device physical phenomenon of a higher mobility value was measured at 45-205 °C than at 25 °C, which is due to the lower optical phonon scattering by the large SnO2 phonon energy. Moreover, the high on-current/off-current of 4 × 10(6) and the positive threshold voltage of 0.14 V at 25 °C are significantly better than those of a graphene transistor. This wide-band-gap SnO2 MOSFET exhibits high mobility in a 25-205 °C temperature range, a wide operating voltage of 1.5-20 V, and the ability to form on an amorphous substrate, rendering it an ideal candidate for multifunctional low-power integrated circuit (IC), display, and brain-mimicking three-dimensional IC applications.

Relating the defect band gap and the density functional band gap

NASA Astrophysics Data System (ADS)

Schultz, Peter; Edwards, Arthur

2014-03-01

Density functional theory (DFT) is an important tool to probe the physics of materials. The Kohn-Sham (KS) gap in DFT is typically (much) smaller than the observed band gap for materials in nature, the infamous ``band gap problem.'' Accurate prediction of defect energy levels is often claimed to be a casualty--the band gap defines the energy scale for defect levels. By applying rigorous control of boundary conditions in size-converged supercell calculations, however, we compute defect levels in Si and GaAs with accuracies of ~0.1 eV, across the full gap, unhampered by a band gap problem. Using GaAs as a theoretical laboratory, we show that the defect band gap--the span of computed defect levels--is insensitive to variations in the KS gap (with functional and pseudopotential), these KS gaps ranging from 0.1 to 1.1 eV. The defect gap matches the experimental 1.52 eV gap. The computed defect gaps for several other III-V, II-VI, I-VII, and other compounds also agree with the experimental gap, and show no correlation with the KS gap. Where, then, is the band gap problem? This talk presents these results, discusses why the defect gap and the KS gap are distinct, implying that current understanding of what the ``band gap problem'' means--and how to ``fix'' it--need to be rethought. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Company, for the U.S. Department of Energy's NNSA under contract DE-AC04-94AL85000.

Automated preparation method for colloidal crystal arrays of monodisperse and binary colloid mixtures by contact printing with a pintool plotter.

PubMed

Burkert, Klaus; Neumann, Thomas; Wang, Jianjun; Jonas, Ulrich; Knoll, Wolfgang; Ottleben, Holger

2007-03-13

Photonic crystals and photonic band gap materials with periodic variation of the dielectric constant in the submicrometer range exhibit unique optical properties such as opalescence, optical stop bands, and photonic band gaps. As such, they represent attractive materials for the active elements in sensor arrays. Colloidal crystals, which are 3D gratings leading to Bragg diffraction, are one potential precursor of such optical materials. They have gained particular interest in many technological areas as a result of their specific properties and ease of fabrication. Although basic techniques for the preparation of regular patterns of colloidal crystals on structured substrates by self-assembly of mesoscopic particles are known, the efficient fabrication of colloidal crystal arrays by simple contact printing has not yet been reported. In this article, we present a spotting technique used to produce a microarray comprising up to 9600 single addressable sensor fields of colloidal crystal structures with dimensions down to 100 mum on a microfabricated substrate in different formats. Both monodisperse colloidal crystals and binary colloidal crystal systems were prepared by contact printing of polystyrene particles in aqueous suspension. The array morphology was characterized by optical light microscopy and scanning electron microscopy, which revealed regularly ordered crystalline structures for both systems. In the case of binary crystals, the influence of the concentration ratio of the large and small particles in the printing suspension on the obtained crystal structure was investigated. The optical properties of the colloidal crystal arrays were characterized by reflection spectroscopy. To examine the stop bands of the colloidal crystal arrays in a high-throughput fashion, an optical setup based on a CCD camera was realized that allowed the simultaneous readout of all of the reflection spectra of several thousand sensor fields per array in parallel. In agreement with Bragg's relation, the investigated arrays exhibited strong opalescence and stop bands in the expected wavelength range, confirming the successful formation of highly ordered colloidal crystals. Furthermore, a narrow distribution of wavelength-dependent stop bands across the sensor array was achieved, demonstrating the capability of producing highly reproducible crystal spots by the contact printing method with a pintool plotter.

The growth of strontium titanate and lutetium ferrite thin films by molecular-beam epitaxy

NASA Astrophysics Data System (ADS)

Brooks, Charles M.

Included in this work is a range of studies on films of homoeptaxial and heteroepitaxial films of SrTiO3 and the first reported phase-pure films of LuFe2O4. We report the structural properties of homoepitaxial (100) SrTiO3 films grown by reactive molecular-beam epitaxy (MBE). The lattice spacing and x-ray diffraction (XRD) rocking curves of stoichiometric MBEgrown SrTiO3 films are indistinguishable from the underlying SrTiO3 substrates. The effect of off-stoichiometry for both strontium-rich and strontium-poor compositions results in lattice expansion with significant changes to the shuttered reflection high-energy electron diffraction oscillations, XRD, film microstructure, and thermal conductivity. Up to an 80% reduction in Sr(1+x)TiO3 film thermal conductivity is measured for x = -0.1 to 0.5. Significant reduction, from 11.5 to ˜2 W˙m-1K-1, occurs through the formation of Ruddlesden-Popper planar faults. The ability to deposit films with a reduction in thermal conductivity is applicable to thermal barrier coatings and thermoelectrics. Scanning transmission electron microscopy is used to examine the formation of Ruddlesden-Popper planar faults in films with strontium excess. We also show that the band gap of SrTiO3 can be altered by >10% (0.3 eV) by using experimentally realizable biaxial strains providing a new means to accomplish band gap engineering of SrTiO3 and related perovskites. Such band gap manipulation is relevant to applications in solar cells water splitting, transparent conducting oxides, superconductivity, two-dimensional electron liquids, and other emerging oxide electronics. This work also presents the adsorption-controlled growth of single-phase (0001)-oriented epitaxial films of charge ordered multiferroic, LuFe2O4, on (111) MgAl2O4, (111) MgO, and (0001) 6H-SiC substrates in an iron-rich environment at pressures and temperatures where excess iron desorbs from the film surface during growth. Scanning transmission electron microscopy reveals reaction-free film-substrate interfaces. The magnetization increases rapidly below 240 K, consistent with the paramagnetic-to-ferrimagnetic phase transition of bulk LuFe2O4.

Investigation of the structural, optical and electrical transport properties of n-doped CdSe thin films

NASA Astrophysics Data System (ADS)

Ali, H. M.; Abd El-Ghanny, H. A.

2008-04-01

Thin films of (CdSe)90(In2O3)10, (CdSe)90(SnO2)10 and (CdSe)90(ZnO)10 have been grown on glass substrates by the electron beam evaporation technique. It has been found that undoped and Sn or In doped CdSe films have two direct transitions corresponding to the energy gaps Eg and Eg+Δ due to spin-orbit splitting of the valence band. The electrical resistivity for n-doped CdSe thin films as a function of light exposure time has been studied. The influence of doping on the structural, optical and electrical characteristics of In doped CdSe films has been investigated in detail. The lattice parameters, grain size and dislocation were determined from x-ray diffraction patterns. The optical transmittance and band gap of these films were determined using a double beam spectrophotometer. The DC conductivity of the films was measured in vacuum using a two-probe technique.

Fabrication of stable, wide-bandgap thin films of Mg, Zn and O

DOEpatents

Katiyar, Ram S.; Bhattacharya, Pijush; Das, Rasmi R.

2006-07-25

A stable, wide-bandgap (approximately 6 eV) ZnO/MgO multilayer thin film is fabricated using pulsed-laser deposition on c-plane Al₂O₃ substrates. Layers of ZnO alternate with layers of MgO. The thickness of MgO is a constant of approximately 1 nm; the thicknesses of ZnO layers vary from approximately 0.75 to 2.5 nm. Abrupt structural transitions from hexagonal to cubic phase follow a decrease in the thickness of ZnO sublayers within this range. The band gap of the thin films is also influenced by the crystalline structure of multilayer stacks. Thin films with hexagonal and cubic structure have band-gap values of 3.5 and 6 eV, respectively. In the hexagonal phase, Mg content of the films is approximately 40%; in the cubic phase Mg content is approximately 60%. The thin films are stable and their structural and optical properties are unaffected by annealing at 750.degree. C.

Optically adjustable valley Hall current in single-layer transition metal dichalcogenides

NASA Astrophysics Data System (ADS)

Sengupta, Parijat; Pavlidis, Dimitris; Shi, Junxia

2018-02-01

The illumination of a single-layer transition metal dichalcogenide with an elliptically polarized light beam is shown to give rise to a differential rate of inter-band carrier excitation between the valence and conduction states around the valley edges, K and K' . This rate with a linear dependence on the beam ellipticity and inverse of the optical gap manifests as an asymmetric Fermi distribution between the valleys or a non-equilibrium population which under an external field and a Berry curvature induced anomalous velocity, results in an externally tunable finite valley Hall current. Surface imperfections that influence the excitation rates are included through the self-consistent Born approximation. Further, we describe applications centered around circular dichroism, quantum computing, and spin torque via optically excited spin currents within the framework of the suggested formalism. A closing summary points to the possibility of extending the calculations to composite charged particles like trions. The role of the substrate in renormalizing the fundamental band gap and moderating the valley Hall current is also discussed.

Study of the electronic structure of electron accepting cyano-films: TCNQversusTCNE.

PubMed

Capitán, Maria J; Álvarez, Jesús; Navio, Cristina

2018-04-18

In this article, we perform systematic research on the electronic structure of two closely related organic electron acceptor molecules (TCNQ and TCNE), which are of technological interest due to their outstanding electronic properties. These studies have been performed from the experimental point of view by the use electron spectroscopies (XPS and UPS) and supported theoretically by the use of ab-initio DFT calculations. The cross-check between both molecules allows us to identify the characteristic electronic features of each part of the molecules and their contribution to the final electronic structure. We can describe the nature of the band gap of these materials, and we relate this with the appearance of the shake-up features in the core level spectra. A band bending and energy gap reduction of the aforementioned electronic structure in contact with a metal surface are seen in the experimental results as well in the theoretical calculations. This behavior implies that the TCNQ thin film accepts electrons from the metal substrate becoming a Schottky n-junction.

Effect of sintering on optical, structural and photoluminescence properties of ZnO thin films prepared by sol-gel process.

PubMed

Vishwas, M; Narasimha Rao, K; Arjuna Gowda, K V; Chakradhar, R P S

2010-09-15

Zinc oxide (ZnO) thin films have been deposited on glass substrates via sol-gel technique using zinc acetate dihydrate as precursor by spin coating of the sol at 2000 rpm. Effects of annealing temperature on optical, structural and photo luminescence properties of the deposited ZnO films have been investigated. The phase transition from amorphous to polycrystalline hexagonal wurtzite structure was observed at an annealing temperature of 400 degrees C. An average transmittance of 87% in the visible region has been obtained at room temperature. The optical transmittance has slightly increased with increase of annealing temperature. The band gap energy was estimated by Tauc's method and found to be 3.22 eV at room temperature. The optical band gap energy has decreased with increasing annealing temperature. The photoluminescence (PL) intensity increased with annealing temperature up to 200 degrees C and decreased at 300 degrees C. Copyright 2010 Elsevier B.V. All rights reserved.

Annealing effect on structural and optical properties of chemical bath deposited MnS thin film

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

Ulutas, Cemal, E-mail: cemalulutas@hakkari.edu.tr; Gumus, Cebrail

2016-03-25

MnS thin film was prepared by the chemical bath deposition (CBD) method on commercial microscope glass substrate deposited at 30 °C. The as-deposited film was given thermal annealing treatment in air atmosphere at various temperatures (150, 300 and 450 °C) for 1 h. The MnS thin film was characterized by using X-ray diffraction (XRD), UV-vis spectrophotometer and Hall effect measurement system. The effect of annealing temperature on the structural, electrical and optical properties such as optical constants of refractive index (n) and energy band gap (E{sub g}) of the film was determined. XRD measurements reveal that the film is crystallized inmore » the wurtzite phase and changed to tetragonal Mn{sub 3}O{sub 4} phase after being annealed at 300 °C. The energy band gap of film decreased from 3.69 eV to 3.21 eV based on the annealing temperature.« less

Coulomb Oscillations in a Gate-Controlled Few-Layer Graphene Quantum Dot.

PubMed

Song, Yipu; Xiong, Haonan; Jiang, Wentao; Zhang, Hongyi; Xue, Xiao; Ma, Cheng; Ma, Yulin; Sun, Luyan; Wang, Haiyan; Duan, Luming

2016-10-12

Graphene quantum dots could be an ideal host for spin qubits and thus have been extensively investigated based on graphene nanoribbons and etched nanostructures; however, edge and substrate-induced disorders severely limit device functionality. Here, we report the confinement of quantum dots in few-layer graphene with tunable barriers, defined by local strain and electrostatic gating. Transport measurements unambiguously reveal that confinement barriers are formed by inducing a band gap via the electrostatic gating together with local strain induced constriction. Numerical simulations according to the local top-gate geometry confirm the band gap opening by a perpendicular electric field. We investigate the magnetic field dependence of the energy-level spectra in these graphene quantum dots. Experimental results reveal a complex evolution of Coulomb oscillations with the magnetic field, featuring kinks at level crossings. The simulation of energy spectrum shows that the kink features and the magnetic field dependence are consistent with experimental observations, implying the hybridized nature of energy-level spectrum of these graphene quantum dots.

Tuning the properties of tin oxide thin films for device fabrications

NASA Astrophysics Data System (ADS)

Sudha, A.; Sharma, S. L.; Gupta, A. N.; Sharma, S. D.

2017-11-01

Tin oxide thin films were deposited on well cleaned glass substrates by thermal evaporation in vacuum and were annealed at 500 ∘C in the open atmosphere inside a furnace for 90 min for promoting the sensitivity of the films. The X-ray diffraction studies revealed that the as-deposited films were amorphous in nature and the annealed films showed appreciable crystalline behavior. The annealed thin films were then irradiated using 60Co gamma source. The radiation induced changes were then studied by X-ray diffraction, scanning electron microscopy, UV-vis spectroscopy and I- V characterization. The remarkable increase in the average grain size, the decrement in the energy band gap and resistivity due to the gamma irradiations up to a certain dose and the reversal of these properties at higher doses are the important observations. The large changes in the conductivity and energy band gap of the annealed thin films due to gamma irradiation make these films quite important device material for the fabrication of gamma sensors and dosimeters.

Anisotropic surface acoustic waves in tungsten/lithium niobate phononic crystals

NASA Astrophysics Data System (ADS)

Sun, Jia-Hong; Yu, Yuan-Hai

2018-02-01

Phononic crystals (PnC) were known for acoustic band gaps for different acoustic waves. PnCs were already applied in surface acoustic wave (SAW) devices as reflective gratings based on the band gaps. In this paper, another important property of PnCs, the anisotropic propagation, was studied. PnCs made of circular tungsten films on a lithium niobate substrate were analyzed by finite element method. Dispersion curves and equal frequency contours of surface acoustic waves in PnCs of various dimensions were calculated to study the anisotropy. The non-circular equal frequency contours and negative refraction of group velocity were observed. Then PnC was applied as an acoustic lens based on the anisotropic propagation. Trajectory of SAW passing PnC lens was calculated and transmission of SAW was optimized by selecting proper layers of lens and applying tapered PnC. The result showed that PnC lens can suppress diffraction of surface waves effectively and improve the performance of SAW devices.

Direct measurement of density of states in pentacene thin film transistors

NASA Astrophysics Data System (ADS)

Yogev, S.; Halpern, E.; Matsubara, R.; Nakamura, M.; Rosenwaks, Y.

2011-10-01

We report on direct high lateral resolution measurements of density of states in pentacene thin film transistors using Kelvin probe force microscopy. The measurements were conducted on passivated (hexamethyldisilazane) and unpassivated field effect transistors with 10- and 30-nm-thick pentacene polycrystalline layers. The analysis takes into account both the band bending in the organic film and the trapped charge at the SiO2-pentacene interface. We found that the density of states for the highest occupied molecular orbital band of pentacene film on the treated substrate is Gaussian with a width (variance) of σ=0.07±0.01eV and an exponential tail. The concentration of the density of states in the gap for pentacene on bare SiO2 substrate was larger by one order of magnitude, had a different energy distribution, and induced Fermi level pinning. The results are discussed in view of their effect on pentacene thin film transistors’ performance.

Investigation of structural, morphological and opto-electronic properties of CdS quantum dot thin film

NASA Astrophysics Data System (ADS)

Ibrahim Mohammed S., M.; Gubari, Ghamdan M. M.; Huse, Nanasaheb P.; Dive, Avinash S.; Sharma, Ramphal

2018-05-01

We have successfully deposited CdS quantum dot thin film on the glass substrate by simple and economic chemical bath deposition method at ˜50 ˚C. The X-ray diffraction study confirms the formation of CdS when compared with standard JCPDS data with average crystallite size ˜3 nm. The morphology of the film was studied by FE-SEM, which suggests the homogeneous and uniform deposition of the CdS material over the entire glass substrate with a porous structure. From UV absorption spectra we observed that the sample exhibited a band edge near ˜400 nm with a slight deviation with the presence of excitonic peak for the sample. The presence of excitonic peak may be attributed to the formation of quantum dots. The calculated band gap energy of CdS quantum dot thin film was found to be ˜3.136 eV. The thin film further characterized to study electrical parameters and the sample show a drastic increase in current after light illumination.

Tetragonal bismuth bilayer: A stable and robust quantum spin hall insulator

DOE PAGES

Kou, Liangzhi; Tan, Xin; Ma, Yandong; ...

2015-11-23

In this study, topological insulators (TIs) exhibit novel physics with great promise for new devices, but considerable challenges remain to identify TIs with high structural stability and large nontrivial band gap suitable for practical applications. Here we predict by first-principles calculations a two-dimensional (2D) TI, also known as a quantum spin Hall (QSH) insulator, in a tetragonal bismuth bilayer (TB-Bi) structure that is dynamically and thermally stable based on phonon calculations and finite-temperature molecular dynamics simulations. Density functional theory and tight-binding calculations reveal a band inversion among the Bi-p orbits driven by the strong intrinsic spin–orbit coupling, producing a largemore » nontrivial band gap, which can be effectively tuned by moderate strains. The helical gapless edge states exhibit a linear dispersion with a high Fermi velocity comparable to that of graphene, and the QSH phase remains robust on a NaCl substrate. These remarkable properties place TB-Bi among the most promising 2D TIs for high-speed spintronic devices, and the present results provide insights into the intriguing QSH phenomenon in this new Bi structure and offer guidance for its implementation in potential applications.« less

Compositional tuning in sputter-grown highly-oriented Bi-Te films and their optical and electronic structures.

PubMed

Saito, Yuta; Fons, Paul; Makino, Kotaro; Mitrofanov, Kirill V; Uesugi, Fumihiko; Takeguchi, Masaki; Kolobov, Alexander V; Tominaga, Junji

2017-10-12

Growth of Bi-Te films by helicon-wave magnetron sputtering is systematically explored using alloy targets. The film compositions obtained are found to strongly depend on both the sputtering and antenna-coil powers. The obtainable film compositions range from Bi 55 Te 45 to Bi 43 Te 57 when a Bi 2 Te 3 alloy target is used, and from Bi 42 Te 58 to Bi 40 Te 60 (Bi 2 Te 3 ) for a Te-rich Bi 30 Te 70 target. All films show strong orientation of the van der Waals layers (00l planes) parallel to the substrate. The atomic level stacking of Bi 2 Te 3 quintuple and Bi bi-layers has been directly observed by high resolution transmission electron microscopy. Band structure simulations reveal that Bi-rich Bi 4 Te 3 bulk is a zero band gap semimetal with a Dirac cone at the Gamma point when spin-orbit coupling is included. Optical measurements also confirm that the material has a zero band gap. The tunability of the composition and the topological insulating properties of the layers will enable the use of these materials for future electronics applications on an industrial scale.

Enhanced photoemission from glancing angle deposited SiOx-TiO2 axial heterostructure nanowire arrays

NASA Astrophysics Data System (ADS)

Dhar, J. C.; Mondal, A.; Singh, N. K.; Chattopadhyay, K. K.

2013-05-01

The glancing angle deposition technique has been employed to synthesize SiOx-TiO2 heterostructure nanowire (NW) arrays on indium tin oxide (ITO) coated glass substrate. A field emission gun scanning electron microscopic image shows that the average diameter of the NWs is ˜50 nm. Transmission electron microscopy images show the formation of heterostructure NWs, which consist of ˜180 nm SiOx and ˜210 nm long TiO2. The selected-area electron diffraction shows the amorphous nature of the synthesized NWs, which was also confirmed by X-ray diffraction method. The main band absorption edges at 3.5 eV were found for both the SiOx-TiO2 and TiO2 NW arrays on ITO coated glass plate from optical absorption measurement. Ti3+ defect related sub-band gap transition at 2.5 eV was observed for TiO2 NWs, whereas heterostructure NWs revealed the SiOx optical band gap related transition at ˜2.2 eV. Two fold improved photon absorption as well as five times photoluminescence emission enhancement were observed for the SiOx-TiO2 multilayer NWs compared to TiO2 NWs.

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration.

PubMed

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-11-04

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses.

Engineering of band gap states of amorphous SiZnSnO semiconductor as a function of Si doping concentration

PubMed Central

Choi, Jun Young; Heo, Keun; Cho, Kyung-Sang; Hwang, Sung Woo; Kim, Sangsig; Lee, Sang Yeol

2016-01-01

We investigated the band gap of SiZnSnO (SZTO) with different Si contents. Band gap engineering of SZTO is explained by the evolution of the electronic structure, such as changes in the band edge states and band gap. Using ultraviolet photoelectron spectroscopy (UPS), it was verified that Si atoms can modify the band gap of SZTO thin films. Carrier generation originating from oxygen vacancies can modify the band-gap states of oxide films with the addition of Si. Since it is not easy to directly derive changes in the band gap states of amorphous oxide semiconductors, no reports of the relationship between the Fermi energy level of oxide semiconductor and the device stability of oxide thin film transistors (TFTs) have been presented. The addition of Si can reduce the total density of trap states and change the band-gap properties. When 0.5 wt% Si was used to fabricate SZTO TFTs, they showed superior stability under negative bias temperature stress. We derived the band gap and Fermi energy level directly using data from UPS, Kelvin probe, and high-resolution electron energy loss spectroscopy analyses. PMID:27812035

Study of electronic and magnetic properties of h-BN on Ni surfaces: A DFT approach

NASA Astrophysics Data System (ADS)

Sahoo, M. R.; Sahu, S.; Kushwaha, A. K.; Nayak, S.

2018-04-01

Hexagonal boron nitride (h-BN) is a promising material for implementation in spintronics due to large band gap, low spin-orbit coupling, and a small lattice mismatch to graphene and close-packedsurfaces of fcc-Ni(111). Electronic and magnetic properties of single layer hexagonal Boron Nitride (h-BN) on Ni (111) surface have been studied with density functional calculation. Since lattice constants of nickel surfaces are very close to that of h-BN, nickel acts as a good substrate. We found that the interaction between 2Pz - 3dz2 orbitals leads to change in electronic band structure as well as density of states which results spin polarization in h-BN.

Dark gap solitons in exciton-polariton condensates in a periodic potential.

PubMed

Cheng, Szu-Cheng; Chen, Ting-Wei

2018-03-01

We show that dark spatial gap solitons can occur inside the band gap of an exciton-polariton condensate (EPC) in a one-dimensional periodic potential. The energy dispersions of an EPC loaded into a periodic potential show a band-gap structure. Using the effective-mass model of the complex Gross-Pitaevskii equation with pump and dissipation in an EPC in a periodic potential, dark gap solitons are demonstrated near the minimum energy points of the band center and band edge of the first and second bands, respectively. The excitation energies of dark gap solitons are below these minimum points and fall into the band gap. The spatial width of a dark gap soliton becomes smaller as the pump power is increased.

Dark gap solitons in exciton-polariton condensates in a periodic potential

NASA Astrophysics Data System (ADS)

Cheng, Szu-Cheng; Chen, Ting-Wei

2018-03-01

We show that dark spatial gap solitons can occur inside the band gap of an exciton-polariton condensate (EPC) in a one-dimensional periodic potential. The energy dispersions of an EPC loaded into a periodic potential show a band-gap structure. Using the effective-mass model of the complex Gross-Pitaevskii equation with pump and dissipation in an EPC in a periodic potential, dark gap solitons are demonstrated near the minimum energy points of the band center and band edge of the first and second bands, respectively. The excitation energies of dark gap solitons are below these minimum points and fall into the band gap. The spatial width of a dark gap soliton becomes smaller as the pump power is increased.

Improvement of band gap profile in Cu(InGa)Se{sub 2} solar cells through rapid thermal annealing

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

Chen, D.S.; College of Mathematics and Physics, Shanghai University of Electric Power, Shanghai, 200090; Yang, J.

Highlights: • Proper RTA treatment can effectively optimize band gap profile to more expected level. • Inter-diffusion of atoms account for the improvement of the graded band gap profile. • The variation of the band gap profile created an absolute gain in the efficiency by 1.22%. - Abstract: In the paper, the effect of rapid thermal annealing on non-optimal double-graded band gap profiles was investigated by using X-ray photoelectron spectroscopy and capacitance–voltage measurement techniques. Experimental results revealed that proper rapid thermal annealing treatment can effectively improve band gap profile to more optimal level. The annealing treatment could not only reducemore » the values of front band gap and minimum band gap, but also shift the position of the minimum band gap toward front electrode and enter into space charge region. In addition, the thickness of Cu(InGa)Se{sub 2} thin film decreased by 25 nm after rapid thermal annealing treatment. All of these modifications were attributed to the inter-diffusion of atoms during thermal treatment process. Simultaneously, the variation of the band gap profile created an absolute gain in the efficiency by 1.22%, short-circuit current density by 2.16 mA/cm{sup 2} and filled factor by 3.57%.« less

The Effects of ph on Structural and Optical Characterization of Iron Oxide Thin Films

NASA Astrophysics Data System (ADS)

Tezel, Fatma Meydaneri; Özdemir, Osman; Kariper, I. Afşin

In this study, the iron oxide thin films have been produced by chemical bath deposition (CBD) method as a function of pH onto amorphous glass substrates. The surface images of the films were investigated with scanning electron microscope (SEM). The crystal structures, orientation of crystallization, crystallite sizes, and dislocation density i.e. structural properties of the thin films were analyzed with X-ray diffraction (XRD). The optical band gap (Eg), optical transmission (T%), reflectivity (R%), absorption coefficient (α), refraction index (n), extinction coefficient (k) and dielectric constant (ɛ) of the thin films were investigated depending on pH, deposition time, solution temperature, substrate temperature, thickness of the films by UV-VIS spectrometer.

Black GE based on crystalline/amorphous core/shell nanoneedle arrays

DOEpatents

Javey, Ali; Chueh, Yu-Lun; Fan, Zhiyong

2014-03-04

Direct growth of black Ge on low-temperature substrates, including plastics and rubber is reported. The material is based on highly dense, crystalline/amorphous core/shell Ge nanoneedle arrays with ultrasharp tips (.about.4 nm) enabled by the Ni catalyzed vapor-solid-solid growth process. Ge nanoneedle arrays exhibit remarkable optical properties. Specifically, minimal optical reflectance (<1%) is observed, even for high angles of incidence (.about.75.degree.) and for relatively short nanoneedle lengths (.about.1 .mu.m). Furthermore, the material exhibits high optical absorption efficiency with an effective band gap of .about.1 eV. The reported black Ge can have important practical implications for efficient photovoltaic and photodetector applications on nonconventional substrates.

Simulation optimizing of n-type HIT solar cells with AFORS-HET

NASA Astrophysics Data System (ADS)

Yao, Yao; Xiao, Shaoqing; Zhang, Xiumei; Gu, Xiaofeng

2017-07-01

This paper presents a study of heterojunction with intrinsic thin layer (HIT) solar cells based on n-type silicon substrates by a simulation software AFORS-HET. We have studied the influence of thickness, band gap of intrinsic layer and defect densities of every interface. Details in mechanisms are elaborated as well. The results show that the optimized efficiency reaches more than 23% which may give proper suggestions to practical preparation for HIT solar cells industry.

Orbital-dependent Electron-Hole Interaction in Graphene and Associated Multi-Layer Structures

PubMed Central

Deng, Tianqi; Su, Haibin

2015-01-01

We develop an orbital-dependent potential to describe electron-hole interaction in materials with structural 2D character, i.e. quasi-2D materials. The modulated orbital-dependent potentials are also constructed with non-local screening, multi-layer screening, and finite gap due to the coupling with substrates. We apply the excitonic Hamiltonian in coordinate-space with developed effective electron-hole interacting potentials to compute excitons’ binding strength at M (π band) and Γ (σ band) points in graphene and its associated multi-layer forms. The orbital-dependent potential provides a range-separated property for regulating both long- and short-range interactions. This accounts for the existence of the resonant π exciton in single- and bi-layer graphenes. The remarkable strong electron-hole interaction in σ orbitals plays a decisive role in the existence of σ exciton in graphene stack at room temperature. The interplay between gap-opening and screening from substrates shed a light on the weak dependence of σ exciton binding energy on the thickness of graphene stacks. Moreover, the analysis of non-hydrogenic exciton spectrum in quasi-2D systems clearly demonstrates the remarkable comparable contribution of orbital dependent potential with respect to non-local screening process. The understanding of orbital-dependent potential developed in this work is potentially applicable for a wide range of materials with low dimension. PMID:26610715

Visible sub-band gap photoelectron emission from nitrogen doped and undoped polycrystalline diamond films

NASA Astrophysics Data System (ADS)

Elfimchev, S.; Chandran, M.; Akhvlediani, R.; Hoffman, A.

2017-07-01

In this study the origin of visible sub-band gap photoelectron emission (PEE) from polycrystalline diamond films is investigated. The PEE yields as a function of temperature were studied in the wavelengths range of 360-520 nm. Based on the comparison of electron emission yields from diamond films deposited on silicon and molybdenum substrates, with different thicknesses and nitrogen doping levels, we suggested that photoelectrons are generated from nitrogen related centers in diamond. Our results show that diamond film thickness and substrate material have no significant influence on the PEE yield. We found that nanocrystalline diamond films have low electron emission yields, compared to microcrystalline diamond, due to the presence of high amount of defects in the former, which trap excited electrons before escaping into the vacuum. However, the low PEE yield of nanocrystalline diamond films was found to increase with temperature. The phenomenon was explained by the trap assisted photon enhanced thermionic emission (ta-PETE) model. According to the ta-PETE model, photoelectrons are trapped by shallow traps, followed by thermal excitation at elevated temperatures and escape into the vacuum. Activation energies of trap levels were estimated for undoped nanocrystalline, undoped microcrystalline and N-doped diamond films using the Richardson-Dushman equation, which gives 0.13, 0.39 and 0.04 eV, respectively. Such low activation energy of trap levels makes the ta-PETE process very effective at elevated temperatures.

Direct Band Gap Wurtzite Gallium Phosphide Nanowires

PubMed Central

2013-01-01

The main challenge for light-emitting diodes is to increase the efficiency in the green part of the spectrum. Gallium phosphide (GaP) with the normal cubic crystal structure has an indirect band gap, which severely limits the green emission efficiency. Band structure calculations have predicted a direct band gap for wurtzite GaP. Here, we report the fabrication of GaP nanowires with pure hexagonal crystal structure and demonstrate the direct nature of the band gap. We observe strong photoluminescence at a wavelength of 594 nm with short lifetime, typical for a direct band gap. Furthermore, by incorporation of aluminum or arsenic in the GaP nanowires, the emitted wavelength is tuned across an important range of the visible light spectrum (555–690 nm). This approach of crystal structure engineering enables new pathways to tailor materials properties enhancing the functionality. PMID:23464761

Band gap in tubular pillar phononic crystal plate.

PubMed

Shu, Fengfeng; Liu, Yongshun; Wu, Junfeng; Wu, Yihui

2016-09-01

In this paper, a phononic crystal (PC) plate with tubular pillars is presented and investigated. The band structures and mode displacement profiles are calculated by using finite element method. The result shows that a complete band gap opens when the ratio of the pillar height to the plate thickness is about 1.6. However, for classic cylinder pillar structures, a band gap opens when the ratio is equal or greater than 3. A tubular pillar design with a void room in it enhances acoustic multiple scattering and gives rise to the opening of the band gap. In order to verify it, a PC structure with double tubular pillars different in size (one within the other) is introduced and a more than 2times band gap enlargement is observed. Furthermore, the coupling between the resonant mode and the plate mode around the band gap is characterized, as well as the effect of the geometrical parameters on the band gap. The behavior of such structure could be utilized to design a pillar PC with stronger structural stability and to enlarge band gaps. Copyright © 2016 Elsevier B.V. All rights reserved.

Dual Band Notched EBG Structure based UWB MIMO/Diversity Antenna with Reduced Wide Band Electromagnetic Coupling

NASA Astrophysics Data System (ADS)

Jaglan, Naveen; Kanaujia, Binod Kumar; Gupta, Samir Dev; Srivastava, Shweta

2017-10-01

A dual band-notched MIMO/Diversity antenna is proposed in this paper. The proposed antenna ensures notches in WiMAX band (3.3-3.6 GHz) besides WLAN band (5-6 GHz). Mushroom Electromagnetic Band Gap (EBG) arrangements are employed for discarding interfering frequencies. The procedure followed to attain notches is antenna shape independent with established formulas. The electromagnetic coupling among two narrowly set apart Ultra-Wide Band (UWB) monopoles is reduced by means of decoupling bands and slotted ground plane. Monopoles are 90° angularly parted with steps on the radiator. This aids to diminish mutual coupling and also adds in the direction of impedance matching by long current route. S21 or else mutual coupling of fewer than 15 dB is established over antenna operating range. Two-port envelope correlation coefficient is lower than 0.02 in UWB range of 3.1 GHz-10.6 GHz. The shifting in notch frequencies by varying variables in formulas is also reported. The suggested antenna is designed on low budget FR-4 substrate with measurements as (58 × 45 × 1.6) mm3. Simulated and measured results of fabricated antenna are found to be in close agreement.

Tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge

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

Inaoka, Takeshi, E-mail: inaoka@phys.u-ryukyu.ac.jp; Furukawa, Takuro; Toma, Ryo

By means of a hybrid density-functional method, we investigate the tensile-strain effect of inducing the indirect-to-direct band-gap transition and reducing the band-gap energy of Ge. We consider [001], [111], and [110] uniaxial tensility and (001), (111), and (110) biaxial tensility. Under the condition of no normal stress, we determine both normal compression and internal strain, namely, relative displacement of two atoms in the primitive unit cell, by minimizing the total energy. We identify those strain types which can induce the band-gap transition, and evaluate the critical strain coefficient where the gap transition occurs. Either normal compression or internal strain operatesmore » unfavorably to induce the gap transition, which raises the critical strain coefficient or even blocks the transition. We also examine how each type of tensile strain decreases the band-gap energy, depending on its orientation. Our analysis clearly shows that synergistic operation of strain orientation and band anisotropy has a great influence on the gap transition and the gap energy.« less

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.

Synthesis of Nanocrystalline SnOx (x = 1–2) Thin Film Using a Chemical Bath Deposition Method with Improved Deposition Time, Temperature and pH

PubMed Central

Ebrahimiasl, Saeideh; Yunus, Wan Md. Zin Wan; Kassim, Anuar; Zainal, Zulkarnain

2011-01-01

Nanocrystalline SnOx (x = 1–2) thin films were prepared on glass substrates by a simple chemical bath deposition method. Triethanolamine was used as complexing agent to decrease time and temperature of deposition and shift the pH of the solution to the noncorrosive region. The films were characterized for composition, surface morphology, structure and optical properties. X-ray diffraction analysis confirms that SnOx thin films consist of a polycrystalline structure with an average grain size of 36 nm. Atomic force microscopy studies show a uniform grain distribution without pinholes. The elemental composition was evaluated by energy dispersive X-ray spectroscopy. The average O/Sn atomic percentage ratio is 1.72. Band gap energy and optical transition were determined from optical absorbance data. The film was found to exhibit direct and indirect transitions in the visible spectrum with band gap values of about 3.9 and 3.7 eV, respectively. The optical transmittance in the visible region is 82%. The SnOx nanocrystals exhibit an ultraviolet emission band centered at 392 nm in the vicinity of the band edge, which is attributed to the well-known exciton transition in SnOx. Photosensitivity was detected in the positive region under illumination with white light. PMID:22163690

Facile synthesis and photo electrochemical performance of SnSe thin films

NASA Astrophysics Data System (ADS)

Pusawale, S. N.; Jadhav, P. S.; Lokhande, C. D.

2018-05-01

Orthorhombic structured SnSe thin films are synthesized via SILAR (successive ionic layer adsorption and reaction) method on glass substrates. The structural properties of thin films are characterized by x-ray diffraction, scanning electron microscopy studies from which nanoparticles with an elongated shape and hydrophilic behavior are observed. UV -VIS absorption spectroscopy study showed the maximum absorption in the visible region with a direct band gap of 1.55 eV. The photo electrochemical study showed p-type electrical conductivity.

Physical properties of nanostructured CeO2 thin films grown by SILAR method

NASA Astrophysics Data System (ADS)

Khan, Ishaque Ahmed; Belkhedkar, M. R.; Salodkar, R. V.; Ubale, A. U.

2018-05-01

Nanostructured CeO2 thin films have been deposited by Successive Ionic Layer Adsorption and Reaction (SILAR) method onto glass substrate using (CeNO3)3 6H2O and NaOH as cationic and anionic precursors respectively. The structural and morphological characterizations were carried out by means of X-ray diffraction, FTIR, FESEM and EDX studies. The highly resistive (1010 Ω cm) semiconducting CeO2 film exhibits 2.95 eV optical band gap.

Characterization of aluminum selenide bi-layer thin film

NASA Astrophysics Data System (ADS)

Boolchandani, Sarita; Soni, Gyanesh; Srivastava, Subodh; Vijay, Y. K.

2018-05-01

The Aluminum Selenide (AlSe) bi-layer thin films were grown on glass substrate using thermal evaporation method under high vacuum condition. The morphological characterization was done using SEM. Electrical measurement with temperature variation shows that thin films exhibit the semiconductor nature. The optical properties of prepared thin films have also been characterized by UV-VIS spectroscopy measurements. The band gap of composite thin films has been calculated by Tauc's relation at different temperature ranging 35°C-100°C.

Modification of WS2 nanosheets with controllable layers via oxygen ion irradiation

NASA Astrophysics Data System (ADS)

Song, Honglian; Yu, Xiaofei; Chen, Ming; Qiao, Mei; Wang, Tiejun; Zhang, Jing; Liu, Yong; Liu, Peng; Wang, Xuelin

2018-05-01

As one kind of two-dimensional materials, WS2 nanosheets have drawn much attention with different kinds of research methods. Yet ion irradiation method was barely used for WS2 nanosheets. In this paper, the structure, composition and optical band gap (Eg) of the multilayer WS2 films deposited by chemical vapor deposition (CVD) method on sapphire substrates before and after oxygen ion irradiation with different energy and fluences were studied. Precise tailored layer-structures and a controllable optical band gap of WS2 nanosheets were achieved after oxygen ion irradiation. The results shows higher energy oxygen irradiation changed the shape from triangular shaped grains to irregular rectangle shape but did not change 2H-WS2 phase structure. The intensity of E2g1 (Г) and A1g (Г) modes decreased and have small shifts after oxygen ion irradiation. The peak frequency difference between the E2g1 (Г) and A1g (Г) modes (Δω) decreased after oxygen ion irradiation, and this result indicates the number of layers decreased after oxygen ion irradiation. The Eg decreased with the increase of the energy and the fluence of oxygen ions. The number of layers, thickness and optical band gap changed after ion irradiation with different ion fluences and energies. The results proposed a new strategy for precise control of multilayer nanosheets and demonstrated the high applicability of ion irradiation in super-capacitors, field effect transistors and other applications.

Ultra-wide acoustic band gaps in pillar-based phononic crystal strips

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

Coffy, Etienne, E-mail: etienne.coffy@femto-st.fr; Lavergne, Thomas; Addouche, Mahmoud

2015-12-07

An original approach for designing a one dimensional phononic crystal strip with an ultra-wide band gap is presented. The strip consists of periodic pillars erected on a tailored beam, enabling the generation of a band gap that is due to both Bragg scattering and local resonances. The optimized combination of both effects results in the lowering and the widening of the main band gap, ultimately leading to a gap-to-midgap ratio of 138%. The design method used to improve the band gap width is based on the flattening of phononic bands and relies on the study of the modal energy distributionmore » within the unit cell. The computed transmission through a finite number of periods corroborates the dispersion diagram. The strong attenuation, in excess of 150 dB for only five periods, highlights the interest of such ultra-wide band gap phononic crystal strips.« less

Tuning the Energy Gap of SiCH3 Nanomaterials Under Elastic Strain

NASA Astrophysics Data System (ADS)

Ma, Shengqian; Li, Feng; Geng, Jiguo; Zhu, Mei; Li, Suyan; Han, Juguang

2018-05-01

SiCH3 nanomaterials have been studied using the density functional theory. When the nanosheets and nanoribbons (armchair and zigzag) are introduced, their energy gap is modulated under elastic strain and width. The results show that the band gap of SiCH3 nanomaterials can be easily tuned using elastic strains and widths. Surprisingly, the band gap can be modulated along two directions, namely, compressing and stretching. The band gap decreases when increasing stretching strain or decreasing compressing strain. In addition, the band gap decreases when increasing the nanoribbon width. For energy gap engineering, the band gap can be tuned by strains and widths. Therefore, the SiCH3 nanomaterials play important roles in potential applications for strain sensors, electronics, and optical electronics.

The growth of ultralong and highly blue luminescent gallium oxide nanowires and nanobelts, and direct horizontal nanowire growth on substrates.

PubMed

Kuo, Chi-Liang; Huang, Michael H

2008-04-16

We report the growth of ultralong β-Ga(2)O(3) nanowires and nanobelts on silicon substrates using a vapor phase transport method. The growth was carried out in a tube furnace, with gallium metal serving as the gallium source. The nanowires and nanobelts can grow to lengths of hundreds of nanometers and even millimeters. Their full lengths have been captured by both scanning electron microscope (SEM) and optical images. X-ray diffraction (XRD) patterns and transmission electron microscope (TEM) images have been used to study the crystal structures of these nanowires and nanobelts. Strong blue emission from these ultralong nanostructures can be readily observed by irradiation with an ultraviolet (UV) lamp. Diffuse reflectance spectroscopy measurements gave a band gap of 4.56 eV for these nanostructures. The blue emission shows a band maximum at 470 nm. Interestingly, by annealing the silicon substrates in an oxygen atmosphere to form a thick SiO(2) film, and growing Ga(2)O(3) nanowires over the sputtered gold patterned regions, horizontal Ga(2)O(3) nanowire growth in the non-gold-coated regions can be observed. These horizontal nanowires can grow to as long as over 10 µm in length. Their composition has been confirmed by TEM characterization. This represents one of the first examples of direct horizontal growth of oxide nanowires on substrates.

Effects of electric and magnetic fields on the electronic properties of zigzag carbon and boron nitride nanotubes

NASA Astrophysics Data System (ADS)

Chegel, Raad; Behzad, Somayeh; Ahmadi, Eghbal

2012-04-01

We have investigated the electronic properties of zigzag CNTs and BNNTs under the external transverse electric field and axial magnetic field, using tight binding approximation. It was found that after switching on the electric and magnetic fields, the band modification such as distortion of the degeneracy, change in energy dispersion, subband spacing and band gap size reduction occurs. The band gap of zigzag BNNTs decreases linearly with increasing the electric field strength but the band gap variation for CNTs increases first and later decreases (Metallic) or first hold constant and then decreases (semiconductor). For type (II) CNTs, at a weak magnetic field, by increasing the electric field strength, the band gap remains constant first and then decreases and in a stronger magnetic field the band gap reduction becomes parabolic. For type (III) CNTs, in any magnetic field, the band gap increases slowly until reaches a maximum value and then decreases linearly. Unlike to CNTs, the magnetic field has less effects on the BNNTs band gap variation.

Stacking orders induced direct band gap in bilayer MoSe2-WSe2 lateral heterostructures.

PubMed

Hu, Xiaohui; Kou, Liangzhi; Sun, Litao

2016-08-16

The direct band gap of monolayer semiconducting transition-metal dichalcogenides (STMDs) enables a host of new optical and electrical properties. However, bilayer STMDs are indirect band gap semiconductors, which limits its applicability for high-efficiency optoelectronic devices. Here, we report that the direct band gap can be achieved in bilayer MoSe2-WSe2 lateral heterostructures by alternating stacking orders. Specifically, when Se atoms from opposite layers are stacked directly on top of each other, AA and A'B stacked heterostructures show weaker interlayer coupling, larger interlayer distance and direct band gap. Whereas, when Se atoms from opposite layers are staggered, AA', AB and AB' stacked heterostructures exhibit stronger interlayer coupling, shorter interlayer distance and indirect band gap. Thus, the direct/indirect band gap can be controllable in bilayer MoSe2-WSe2 lateral heterostructures. In addition, the calculated sliding barriers indicate that the stacking orders of bilayer MoSe2-WSe2 lateral heterostructures can be easily formed by sliding one layer with respect to the other. The novel direct band gap in bilayer MoSe2-WSe2 lateral heterostructures provides possible application for high-efficiency optoelectronic devices. The results also show that the stacking order is an effective strategy to induce and tune the band gap of layered STMDs.

Band Gap Engineering of Titania Systems Purposed for Photocatalytic Activity

NASA Astrophysics Data System (ADS)

Thurston, Cameron

Ab initio computer aided design drastically increases candidate population for highly specified material discovery and selection. These simulations, carried out through a first-principles computational approach, accurately extrapolate material properties and behavior. Titanium Dioxide (TiO2 ) is one such material that stands to gain a great deal from the use of these simulations. In its anatase form, titania (TiO2 ) has been found to exhibit a band gap nearing 3.2 eV. If titania is to become a viable alternative to other contemporary photoactive materials exhibiting band gaps better suited for the solar spectrum, then the band gap must be subsequently reduced. To lower the energy needed for electronic excitation, both transition metals and non-metals have been extensively researched and are currently viable candidates for the continued reduction of titania's band gap. The introduction of multicomponent atomic doping introduces new energy bands which tend to both reduce the band gap and recombination loss. Ta-N, Nb-N, V-N, Cr-N, Mo-N, and W-N substitutions were studied in titania and subsequent energy and band gap calculations show a favorable band gap reduction in the case of passivated systems.

Effect of p–d hybridization, structural distortion and cation electronegativity on electronic properties of ZnSnX{sub 2} (X=P, As, Sb) chalcopyrite semiconductors

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

Mishra, S.; Ganguli, B., E-mail: biplabg@nitrkl.ac.in

2013-04-15

Significant effects of p–d hybridization, structural distortion and cation-electro-negativity are found on band gap in ZnSnX{sub 2} (X=P, As, Sb). Our study suggests these compounds to be direct band gap semiconductors with band gaps of 1.23, 0.68 and 0.19 eV respectively. Lattice constants, tetragonal distortion (η), anion displacement, bond lengths and bulk moduli are calculated by Density Functional Theory based on Tight binding Linear Muffin-Tin orbital method. Our result of structural properties is in good agreement with the available experimental and other theoretical results. Calculated band gaps also agree well with the experimental works within LDA limitation. Unlike other semiconductorsmore » in the group II–IV–V{sub 2}, there is a reduction in the band gap of 0.22, 0.20 and 0.24 eV respectively in ZnSnX{sub 2} (X=P, As, Sb) due to p–d hybridization. Structural distortion decreases band gap by 0.20, 0.12 and 0.10 eV respectively. We find that cation electronegativity effect is responsible for increasing the band gap relative to their binary analogs GaInP{sub 2}, InGaAs{sub 2} and GaInSb{sub 2} respectively and increment are 0.13, 0.04 and 0.13 eV respectively. - Graphical abstract: One unit cell of ZnSnX{sub 2} (X=P, As, Sb) chalcopyrite semiconductor. Semiconductors ZnSnX{sub 2} (X=P, As, Sb) are found to be direct band gap semiconductors with band gaps 1.23, 0.68 and 0.19 eV respectively. The quantitative estimate of effects of p–d hybridization, structural distortion and cation electronegativity shows band gaps change significantly due to these effects. Highlights: ► ZnSnX{sub 2} (X=P, As, Sb) are direct band gap semiconductors. ► These have band gaps of 1.23 eV, 0.68 eV and 0.19 eV respectively. ► The band gap reduction due to p–d hybridization is 13.41%, 18.51% and 40% respectively. ► Band gap reduction due to structural distortion is 12.12%, 11.11% and 16.66% respectively. ► Band gap increases 8.38%, 3.70% and 21.31% respectively due to cation electronegativity.« less

Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, Robert F.; Burger, Arnold; Dudley, Michael; Matyi, Richard J.; Ramachandran, Narayanan; Sha, Yi-Gao; Volz, Martin; Shih, Hung-Dah

2000-01-01

Interest in optical devices which can operate in the visible spectrum has motivated research interest in the II-VI wide band gap semiconductor materials. The recent challenge for semiconductor opto-electronics is the development of a laser which can operate at short visible wavelengths. In the past several years, major advances in thin film technology such as molecular beam epitaxy and metal organic chemical vapor deposition have demonstrated the applicability of II-VI materials to important devices such as light-emitting diodes, lasers, and ultraviolet detectors. With an energy gap of 2.7 eV at room temperature, and an efficient band- to-band transition, ZnSe has been studied extensively as the primary candidate for a blue light emitting diode for optical displays, high density recording, and military communications. By employing a ternary or quaternary system, the energy band gap of II-VI materials can be tuned to a specific range. While issues related to the compositional inhomogeneity and defect incorporation are still to be fully resolved, ZnSe bulk crystals and ZnSe-based heterostructures such as ZnSe/ZnSeS, ZnSe/ZnCdSe and ZnCdSe/ZnSeS have showed photopumped lasing capability in the blue-green region at a low threshold power and high temperatures. The demonstration of its optical bistable properties in bulk and thin film forms also make ZnSe a possible candidate material for the building blocks of a digital optical computer. Despite this, developments in the crystal growth of bulk H-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology.

Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

NASA Astrophysics Data System (ADS)

Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

2014-04-01

A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

Optical, photonic and optoelectronic properties of graphene, h-NB and their hybrid materials

NASA Astrophysics Data System (ADS)

Wang, Jingang; Ma, Fengcai; Liang, Wenjie; Wang, Rongming; Sun, Mengtao

2017-06-01

Because of the linear dispersion relation and the unique structure of graphene's Dirac electrons, which can be tuned the ultra-wide band, this enables more applications in photonics, electronics and plasma optics. As a substrate, hexagonal boron nitride (h-BN) has an atomic level flat surface without dangling bonds, a weak doping effect and a response in the far ultraviolet area. So the graphene/h-BN heterostructure is very attractive due to its unique optical electronics characteristics. Graphene and h-BN which are stacked in different ways could open the band gap of graphene, and form a moiré pattern for graphene on h-BN and the superlattice in the Brillouin zone, which makes it possible to build photoelectric devices.

Tunable and sizable band gap in silicene by surface adsorption

PubMed Central

Quhe, Ruge; Fei, Ruixiang; Liu, Qihang; Zheng, Jiaxin; Li, Hong; Xu, Chengyong; Ni, Zeyuan; Wang, Yangyang; Yu, Dapeng; Gao, Zhengxiang; Lu, Jing

2012-01-01

Opening a sizable band gap without degrading its high carrier mobility is as vital for silicene as for graphene to its application as a high-performance field effect transistor (FET). Our density functional theory calculations predict that a band gap is opened in silicene by single-side adsorption of alkali atom as a result of sublattice or bond symmetry breaking. The band gap size is controllable by changing the adsorption coverage, with an impressive maximum band gap up to 0.50 eV. The ab initio quantum transport simulation of a bottom-gated FET based on a sodium-covered silicene reveals a transport gap, which is consistent with the band gap, and the resulting on/off current ratio is up to 108. Therefore, a way is paved for silicene as the channel of a high-performance FET. PMID:23152944

Synchrotron-Radiation Photoemission Study of Electronic Structures of a Cs-Doped Rubrene Surface

NASA Astrophysics Data System (ADS)

Cheng, Chiu-Ping; Lu, Meng-Han; Chu, Yu-Ya; Pi, Tun-Wen

Using synchrotron-radiation photoemission spectroscopy, we have studied the electronic structure of a cesium-doped rubrene thin film. The addition of cesium atoms causes the movement of the valence-band spectra and the change in line shapes at different concentration that can be separated into four different stages. In the first stage, the cesium atoms continuously diffuse into the substrate, and the Fermi level moves in the energy gap as a result of an electron transferred from the cesium to the rubrene. The second stage, in which the shifts of the spectra are interrupted, is characterized by the introduction of two in-gap states. When increasing doping of cesium into the third stage, the spectra move again; whereas, the line shapes maintain at the stoichiometric ratio of one. In the fourth stage, new in-gap states appear, which are the highest occupied molecular orbital (HOMO) and HOMO+1 states of (rubrene)2- anion.

Nanoscale charge distribution and energy band modification in defect-patterned graphene.

PubMed

Wang, Shengnan; Wang, Rui; Wang, Xiaowei; Zhang, Dongdong; Qiu, Xiaohui

2012-04-21

Defects were introduced precisely to exfoliated graphene (G) sheets on a SiO(2)/n(+) Si substrate to modulate the local energy band structure and the electron pathway using solution-phase oxidation followed by thermal reduction. The resulting nanoscale charge distribution and band gap modification were investigated by electrostatic force microscopy and spectroscopy. A transition phase with coexisting submicron-sized metallic and insulating regions in the moderately oxidized monolayer graphene were visualized and measured directly. It was determined that the delocalization of electrons/holes in a graphene "island" is confined by the surrounding defective C-O matrix, which acts as an energy barrier for mobile charge carriers. In contrast to the irreversible structural variations caused by the oxidation process, the electrical properties of graphene can be restored by annealing. The defect-patterned graphene and graphene oxide heterojunctions were further characterized by electrical transport measurement.

Interface engineering of quantum Hall effects in digital transition metal oxide heterostructures.

PubMed

Xiao, Di; Zhu, Wenguang; Ran, Ying; Nagaosa, Naoto; Okamoto, Satoshi

2011-12-20

Topological insulators are characterized by a non-trivial band topology driven by the spin-orbit coupling. To fully explore the fundamental science and application of topological insulators, material realization is indispensable. Here we predict, based on tight-binding modelling and first-principles calculations, that bilayers of perovskite-type transition-metal oxides grown along the [111] crystallographic axis are potential candidates for two-dimensional topological insulators. The topological band structure of these materials can be fine-tuned by changing dopant ions, substrates and external gate voltages. We predict that LaAuO(3) bilayers have a topologically non-trivial energy gap of about 0.15 eV, which is sufficiently large to realize the quantum spin Hall effect at room temperature. Intriguing phenomena, such as fractional quantum Hall effect, associated with the nearly flat topologically non-trivial bands found in e(g) systems are also discussed.

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures

PubMed Central

Warmuth, Franziska; Körner, Carolin

2015-01-01

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented. PMID:28793713

Phononic Band Gaps in 2D Quadratic and 3D Cubic Cellular Structures.

PubMed

Warmuth, Franziska; Körner, Carolin

2015-12-02

The static and dynamic mechanical behaviour of cellular materials can be designed by the architecture of the underlying unit cell. In this paper, the phononic band structure of 2D and 3D cellular structures is investigated. It is shown how the geometry of the unit cell influences the band structure and eventually leads to full band gaps. The mechanism leading to full band gaps is elucidated. Based on this knowledge, a 3D cellular structure with a broad full band gap is identified. Furthermore, the dependence of the width of the gap on the geometry parameters of the unit cell is presented.

Electronic transport in Thue-Morse gapped graphene superlattice under applied bias

NASA Astrophysics Data System (ADS)

Wang, Mingjing; Zhang, Hongmei; Liu, De

2018-04-01

We investigate theoretically the electronic transport properties of Thue-Morse gapped graphene superlattice under an applied electric field. The results indicate that the combined effect of the band gap and the applied bias breaks the angular symmetry of the transmission coefficient. The zero-averaged wave-number gap can be greatly modulated by the band gap and the applied bias, but its position is robust against change of the band gap. Moreover, the conductance and the Fano factor are strongly dependent not only on the Fermi energy but also on the band gap and the applied bias. In the vicinity of the new Dirac point, the minimum value of the conductance obviously decreases and the Fano factor gradually forms a Poissonian value plateau with increasing of the band gap.

Effect of thickness on optoelectrical properties of Nb-doped indium tin oxide thin films deposited by RF magnetron sputtering

NASA Astrophysics Data System (ADS)

Li, Shi-na; Ma, Rui-xin; Ma, Chun-hong; Li, Dong-ran; Xiao, Yu-qin; He, Liang-wei; Zhu, Hong-min

2013-05-01

Niobium-doped indium tin oxide (ITO:Nb) thin films are prepared on glass substrates with various film thicknesses by radio frequency (RF) magnetron sputtering from one piece of ceramic target material. The effects of thickness (60-360 nm) on the structural, electrical and optical properties of ITO: Nb films are investigated by means of X-ray diffraction (XRD), ultraviolet (UV)-visible spectroscopy, and electrical measurements. XRD patterns show the highly oriented (400) direction. The lowest resistivity of the films without any heat treatment is 3.1×10-4Ω·cm-1, and the resistivity decreases with the increase of substrate temperature. The highest Hall mobility and carrier concentration are 17.6 N·S and 1.36×1021 cm-3, respectively. Band gap energy of the films depends on substrate temperature, which varies from 3.48 eV to 3.62 eV.

Electronic band gaps of confined linear carbon chains ranging from polyyne to carbyne

NASA Astrophysics Data System (ADS)

Shi, Lei; Rohringer, Philip; Wanko, Marius; Rubio, Angel; Waßerroth, Sören; Reich, Stephanie; Cambré, Sofie; Wenseleers, Wim; Ayala, Paola; Pichler, Thomas

2017-12-01

Ultralong linear carbon chains of more than 6000 carbon atoms have recently been synthesized within double-walled carbon nanotubes (DWCNTs), and they show a promising route to one-atom-wide semiconductors with a direct band gap. Theoretical studies predicted that this band gap can be tuned by the length of the chains, the end groups, and their interactions with the environment. However, different density functionals lead to very different values of the band gap of infinitely long carbyne. In this work, we applied resonant Raman excitation spectroscopy with more than 50 laser wavelengths to determine the band gap of long carbon chains encapsulated inside DWCNTs. The experimentally determined band gaps ranging from 2.253 to 1.848 eV follow a linear relation with Raman frequency. This lower bound is the smallest band gap of linear carbon chains observed so far. The comparison with experimental data obtained for short chains in gas phase or in solution demonstrates the effect of the DWCNT encapsulation, leading to an essential downshift of the band gap. This is explained by the interaction between the carbon chain and the host tube, which greatly modifies the chain's bond-length alternation.

First Principles Study of Electronic Band Structure and Structural Stability of Al2C Monolayer and Nanotubes

NASA Astrophysics Data System (ADS)

Pramchu, S.; Jaroenjittichai, A. P.; Laosiritaworn, Y.

2017-09-01

We used density functional theory (DFT) based on generalized gradient approximation (GGA) and hybrid functional (HSE06) to investigate band gap and structural stability of Al2C monolayer and nanotubes. From the results, both GGA and HSE06 band gaps of Al2C monolayer agree well with previously reported data. For the Al2C nanotubes, we found that their band gaps are more sensitive to the size and the chirality than that of the widely studied SiC2 nanotubes, indicating the Al2C nanotubes may have higher band gap tuning capabilities (with varying diameter size and chirality) compared with those of SiC2 nanotubes. We have also discovered a desirable direct band gap in the case of (n,0) nanotubes, although Al2C monolayer band gap is indirect. The calculated strain energy reveals that (n,0) nanotubes constructed by wrapping up Al2C monolayer consume less energy than (0,n) nanotubes. Thus, (n,0) nanotubes is easier to synthesize than (0,n) nanotubes. This discovery of direct band gap in (n,0) Al2C nanotubes and their adjustable band gap suggests them as promising sensitizer for enhancing power conversion efficiency of excitonic solar cells.

Engineering the Band Gap States of the Rutile TiO2 (110) Surface by Modulating the Active Heteroatom.

PubMed

Yu, Yaoguang; Yang, Xu; Zhao, Yanling; Zhang, Xiangbin; An, Liang; Huang, Miaoyan; Chen, Gang; Zhang, Ruiqin

2018-04-19

Introducing band gap states to TiO 2 photocatalysts is an efficient strategy for expanding the range of accessible energy available in the solar spectrum. However, few approaches are able to introduce band gap states and improve photocatalytic performance simultaneously. Introducing band gap states by creating surface disorder can incapacitate reactivity where unambiguous adsorption sites are a prerequisite. An alternative method for introduction of band gap states is demonstrated in which selected heteroatoms are implanted at preferred surface sites. Theoretical prediction and experimental verification reveal that the implanted heteroatoms not only introduce band gap states without creating surface disorder, but also function as active sites for the Cr VI reduction reaction. This promising approach may be applicable to the surfaces of other solar harvesting materials where engineered band gap states could be used to tune photophysical and -catalytic properties. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The properties of optimal two-dimensional phononic crystals with different material contrasts

NASA Astrophysics Data System (ADS)

Liu, Zong-Fa; Wu, Bin; He, Cun-Fu

2016-09-01

By modifying the spatial distribution of constituent material phases, phononic crystals (PnCs) can be designed to exhibit band gaps within which sound and vibration cannot propagate. In this paper, the developed topology optimization method (TOM), based on genetic algorithms (GAs) and the finite element method (FEM), is proposed to design two-dimensional (2D) solid PnC structures composed of two contrasting elastic materials. The PnCs have the lowest order band gap that is the third band gap for the coupled mode, the first band gap for the shear mode or the XY 34 Z band gap for the mixed mode. Moreover, the effects of the ratios of contrasting material properties on the optimal layout of unit cells and the corresponding phononic band gaps (PBGs) are investigated. The results indicate that the topology of the optimal PnCs and corresponding band gaps varies with the change of material contrasts. The law can be used for the rapid design of desired PnC structures.

Systematic analysis of the unique band gap modulation of mixed halide perovskites.

PubMed

Kim, Jongseob; Lee, Sung-Hoon; Chung, Choong-Heui; Hong, Ki-Ha

2016-02-14

Solar cells based on organic-inorganic hybrid metal halide perovskites have been proven to be one of the most promising candidates for the next generation thin film photovoltaic cells. Mixing Br or Cl into I-based perovskites has been frequently tried to enhance the cell efficiency and stability. One of the advantages of mixed halides is the modulation of band gap by controlling the composition of the incorporated halides. However, the reported band gap transition behavior has not been resolved yet. Here a theoretical model is presented to understand the electronic structure variation of metal mixed-halide perovskites through hybrid density functional theory. Comparative calculations in this work suggest that the band gap correction including spin-orbit interaction is essential to describe the band gap changes of mixed halides. In our model, both the lattice variation and the orbital interactions between metal and halides play key roles to determine band gap changes and band alignments of mixed halides. It is also presented that the band gap of mixed halide thin films can be significantly affected by the distribution of halide composition.

Resolution of the Band Gap Prediction Problem for Materials Design

DOE PAGES

Crowley, Jason M.; Tahir-Kheli, Jamil; Goddard, William A.

2016-03-04

An important property with any new material is the band gap. Standard density functional theory methods grossly underestimate band gaps. This is known as the band gap problem. Here in this paper, we show that the hybrid B3PW91 density functional returns band gaps with a mean absolute deviation (MAD) from experiment of 0.22 eV over 64 insulators with gaps spanning a factor of 500 from 0.014 to 7 eV. The MAD is 0.28 eV over 70 compounds with gaps up to 14.2 eV, with a mean error of -0.03 eV. To benchmark the quality of the hybrid method, we comparedmore » the hybrid method to the rigorous GW many-body perturbation theory method. Surprisingly, the MAD for B3PW91 is about 1.5 times smaller than the MAD for GW. Furthermore, B3PW91 is 3-4 orders of magnitude faster computationally. Hence, B3PW91 is a practical tool for predicting band gaps of materials before they are synthesized and represents a solution to the band gap prediction problem.« less

Graphene-diamond interface: Gap opening and electronic spin injection

NASA Astrophysics Data System (ADS)

Ma, Yandong; Dai, Ying; Guo, Meng; Huang, Baibiao

2012-06-01

Creating a finite band gap, injecting electronic spin, and finding a suitable substrate are the three important challenges for building graphene-based devices. Here, first-principles calculations are performed to investigate the electronic and magnetic properties of graphene adsorbed on the (111) surface of diamond, which is synthesized experimentally [Nature10.1038/nature09979 472, 74 (2011); J. Appl. Phys.10.1063/1.3627370 110, 044324 (2011); Nano Lett.10.1021/nl204545q 12, 1603 (2012); ACS Nano10.1021/nn204362p 6, 1018 (2012)]. Our results reveal that the graphene adsorbed on the diamond surface is a semiconductor with a finite gap depending on the adsorption arrangements due to the variation of on-site energy induced by the diamond surface, with the extra advantage of maintaining main characters of the linear band dispersion of graphene. More interestingly, different from typical graphene/semiconductor hybrid systems, we find that electronic spin can arise ``intrinsically'' in graphene owing to the exchange proximity interaction between electrons in graphene and localized electrons in the diamond surface rather than the characteristic graphene states. These predications strongly revive this new synthesized system as a viable candidate to overcome all the aforementioned challenges, providing an ideal platform for future graphene-based electronics.

Studies of silicon quantum dots prepared at different substrate temperatures

NASA Astrophysics Data System (ADS)

Al-Agel, Faisal A.; Suleiman, Jamal; Khan, Shamshad A.

2017-03-01

In this research work, we have synthesized silicon quantum dots at different substrate temperatures 193, 153 and 123 K at a fixed working pressure 5 Torr. of Argon gas. The structural studies of these silicon quantum dots have been undertaken using X-ray diffraction, Field Emission Scanning Electron Microscopy (FESEM) and High Resolution Transmission Electron Microscopy (HRTEM). The optical and electrical properties have been studied using UV-visible spectroscopy, Fourier transform infrared (FTIR) spectroscopy, Fluorescence spectroscopy and I-V measurement system. X-ray diffraction pattern of Si quantum dots prepared at different temperatures show the amorphous nature except for the quantum dots synthesized at 193 K which shows polycrystalline nature. FESEM images of samples suggest that the size of quantum dots varies from 2 to 8 nm. On the basis of UV-visible spectroscopy measurements, a direct band gap has been observed for Si quantum dots. FTIR spectra suggest that as-grown Si quantum dots are partially oxidized which is due exposure of as-prepared samples to air after taking out from the chamber. PL spectra of the synthesized silicon quantum dots show an intense peak at 444 nm, which may be attributed to the formation of Si quantum dots. Temperature dependence of dc conductivity suggests that the dc conductivity enhances exponentially by raising the temperature. On the basis above properties i.e. direct band gap, high absorption coefficient and high conductivity, these silicon quantum dots will be useful for the fabrication of solar cells.

Composition and Band Gap Tailoring of Crystalline (GaN)1- x(ZnO) x Solid Solution Nanowires for Enhanced Photoelectrochemical Performance.

PubMed

Li, Jing; Liu, Baodan; Wu, Aimin; Yang, Bing; Yang, Wenjin; Liu, Fei; Zhang, Xinglai; An, Vladimir; Jiang, Xin

2018-05-07

Photoelectrochemical water splitting has emerged as an effective artificial photosynthesis technology to generate clean energy of H 2 from sunlight. The core issue in this reaction system is to develop a highly efficient photoanode with a large fraction of solar light absorption and greater active surface area. In this work, we take advantage of energy band engineering to synthesize (GaN) 1- x (ZnO) x solid solution nanowires with ZnO contents ranging from 10.3% to 47.6% and corresponding band gap tailoring from 3.08 to 2.77 eV on the basis of the Au-assisted VLS mechanism. The morphology of nanowires directly grown on the conductive substrate facilitates the charge transfer and simultaneously improves the surface reaction sites. As a result, a photocurrent approximately 10 times larger than that for a conventional powder-based photoanode is obtained, which indicates the potential of (GaN) 1- x (ZnO) x nanowires in the preparation of superior photoanodes for enhanced water splitting. It is anticipated that the water-splitting capability of (GaN) 1- x (ZnO) x nanowire can be further increased through alignment control for enhanced visible light absorption and reduction of charge transfer resistance.

Piezo-phototronic effect enhanced photo-detector based on ZnO nano-arrays/NiO structure

NASA Astrophysics Data System (ADS)

Sun, Jingchang; Li, Peida; Gao, Ruixue; Lu, Xue; Li, Chengren; Lang, Yueyi; Zhang, Xiwen; Bian, Jiming

2018-01-01

A photo-detector with n-ZnO nano-arrays/p-NiO film structure was synthesized on flexible Ni foil substrate. In contrast to conventional detectors that detect only the photon energies greater than the band gap of working materials, the visible light with smaller photon energies (3.0 eV) than the band gap of both ZnO (3.3 eV) and NiO (3.7 eV) can be sensitively detected by this detector due to the spatially indirect type-II transition between ZnO nano-arrays and NiO film. The increase in output currents of the photo-detector with illumination density was observed at both forward and reverse bias, and it can be further enhanced by exerting external compressive strain along the c axis of ZnO nano-arrays by piezo-phototronic effect. A maximum enhancement of 1020% of the responsivity (R) was achieved under external compressive strain. The similar behaviors were demonstrated at four different excitation wavelengths (325, 365, 388 and 405 nm), providing compelling evidence that the responses performance of the photo-detector can be effectively enhanced using piezo-phototronic effect. Moreover, the piezo-phototronic effect enhanced performance can be well elucidated by the corresponding energy band diagram.

Bi-directional evolutionary optimization for photonic band gap structures

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

Meng, Fei; School of Civil Engineering, Central South University, Changsha 410075; Huang, Xiaodong, E-mail: huang.xiaodong@rmit.edu.au

2015-12-01

Toward an efficient and easy-implement optimization for photonic band gap structures, this paper extends the bi-directional evolutionary structural optimization (BESO) method for maximizing photonic band gaps. Photonic crystals are assumed to be periodically composed of two dielectric materials with the different permittivity. Based on the finite element analysis and sensitivity analysis, BESO starts from a simple initial design without any band gap and gradually re-distributes dielectric materials within the unit cell so that the resulting photonic crystal possesses a maximum band gap between two specified adjacent bands. Numerical examples demonstrated the proposed optimization algorithm can successfully obtain the band gapsmore » from the first to the tenth band for both transverse magnetic and electric polarizations. Some optimized photonic crystals exhibit novel patterns markedly different from traditional designs of photonic crystals.« less

Tunable terahertz reflection spectrum based on band gaps of GaP materials excited by ultrasonic

NASA Astrophysics Data System (ADS)

Cui, H.; Zhang, X. B.; Wang, X. F.; Wang, G. Q.

2018-02-01

Tunable terahertz (THz) reflection spectrum, ranged from 0.2 to 8 THz, in band gaps of gallium phosphide (GaP) materials excited by ultrasonic is investigated in the present paper, in which tunable ultrasonic and terahertz wave collinear transmission in the same direction is postulated. Numerical simulation results show that, under the acousto-optic interaction, band gaps of transverse optical phonon polariton dispersion curves are turned on, this leads to a dis-propagation of polariton in GaP bulk. On the other side, GaP material has less absorption to THz wave according to experimental studies, as indicates that THz wave could be reflected by the band gaps spontaneously. The band gaps width and acousto-optic coupling strength are proportional with ultrasonic frequency and its intensity in ultrasonic frequency range of 0-250 MHz, in which low-frequency branch of transverse optical phonon polariton dispersion curves demonstrate periodicity and folding as well as. With the increase of ultrasonic frequency, frequency of band gap is blue-shifted, and total reflectivity decreased with -1-order and -2-order reflectivity decrease. The band gaps converge to the restrahlen band infinitely with frequency of ultrasonic exceeding over 250 MHz, total reflectivity of which is attenuated. As is show above, reflection of THz wave can be accommodated by regulating the frequency and its intensity of ultrasonic frequency. Relevant technology may be available in tunable THz frequency selection and filtering.

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

Investigations of the drift mobility of carriers and density of states in nanocrystalline CdS thin films

NASA Astrophysics Data System (ADS)

Singh, Baljinder; Singh, Janpreet; Kaur, Jagdish; Moudgil, R. K.; Tripathi, S. K.

2016-06-01

Nanocrystalline Cadmium Sulfide (nc-CdS) thin films have been prepared on well-cleaned glass substrate at room temperature (300 K) by thermal evaporation technique using inert gas condensation (IGC) method. X-ray diffraction (XRD) analysis reveals that the films crystallize in hexagonal structure with preferred orientation along [002] direction. Scanning electron microscope (SEM) and Transmission electron microscope (TEM) studies reveal that grains are spherical in shape and uniformly distributed over the glass substrates. The optical band gap of the film is estimated from the transmittance spectra. Electrical parameters such as Hall coefficient, carrier type, carrier concentration, resistivity and mobility are determined using Hall measurements at 300 K. Transit time and mobility are estimated from Time of Flight (TOF) transient photocurrent technique in gap cell configuration. The measured values of electron drift mobility from TOF and Hall measurements are of the same order. Constant Photocurrent Method in ac-mode (ac-CPM) is used to measure the absorption spectra in low absorption region. By applying derivative method, we have converted the measured absorption data into a density of states (DOS) distribution in the lower part of the energy gap. The value of Urbach energy, steepness parameter and density of defect states have been calculated from the absorption and DOS spectra.

Substrate effects on the epitaxial growth of ZnGeP2 thin films by open tube organometallic chemical vapor deposition

NASA Technical Reports Server (NTRS)

Xing, G. C.; Bachmann, K. J.; Posthill, J. B.; Timmons, M. L.

1991-01-01

Epitaxial ZnGeP2-Ge films have been grown on (111)GaP substrates using MOCVD. The films grown with dimethylzinc to germane flow rate ratio R greater than 10 show mirror-smooth surface morphology. Films grown with R less than 10 show a high density of twinning, including both double position and growth twins. Compared to films grown on (001) GaP substrates, the layers on (111) GaP generally show a higher density of microstructural defects. TEM electron diffraction patterns show that the films grown on (111) GaP substrates are more disordered than films grown on (001) GaP under comparable conditions. The growth rate on (111) GaP substrates is about 2.5 times slower than that on (001) GaP, and films grown on Si substrates show extensive twinning formation. Both TEM and SEM examinations indicate that smooth epitaxial overgrowth may be easier on (111) Si substrates than on (001) Si.

Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

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

Zhang Haifeng; Nanjing Artillery Academy, Nanjing 211132; Liu Shaobin

2012-11-15

In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonicmore » band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.« less

Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

DOEpatents

Wanlass, M.W.

1994-12-27

A single-junction solar cell is described having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of ''pinning'' the optimum band gap for a wide range of operating conditions at a value of 1.14[+-]0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap. 7 figures.

Single-junction solar cells with the optimum band gap for terrestrial concentrator applications

DOEpatents

Wanlass, Mark W.

1994-01-01

A single-junction solar cell having the ideal band gap for terrestrial concentrator applications. Computer modeling studies of single-junction solar cells have shown that the presence of absorption bands in the direct spectrum has the effect of "pinning" the optimum band gap for a wide range of operating conditions at a value of 1.14.+-.0.02 eV. Efficiencies exceeding 30% may be possible at high concentration ratios for devices with the ideal band gap.

Conformal fabrication of colloidal quantum dot solids for optically enhanced photovoltaics.

PubMed

Labelle, André J; Thon, Susanna M; Kim, Jin Young; Lan, Xinzheng; Zhitomirsky, David; Kemp, Kyle W; Sargent, Edward H

2015-05-26

Colloidal quantum dots (CQD) are an attractive thin-film material for photovoltaic applications due to low material costs, ease of fabrication, and size-tunable band gap. Unfortunately, today they suffer from a compromise between light absorption and photocarrier extraction, a fact that currently prevents the complete harvest of incoming above-band-gap solar photons. We have investigated the use of structured substrates and/or electrodes to increase the effective light path through the active material and found that these designs require highly conformal application of the light-absorbing films to achieve the greatest enhancement. This conformality requirement derives from the need for maximal absorption enhancement combined with shortest-distance charge transport. Here we report on a means of processing highly conformal layer-by-layer deposited CQD absorber films onto microstructured, light-recycling electrodes. Specifically, we engineer surface hydrophilicity to achieve conformal deposition of upper layers atop underlying ones. We show that only with the application of conformal coating can we achieve optimal quantum efficiency and enhanced power conversion efficiency in structured-electrode CQD cells.

Effect of geometric nanostructures on the absorption edges of 1-D and 2-D TiO₂ fabricated by atomic layer deposition.

PubMed

Chang, Yung-Huang; Liu, Chien-Min; Cheng, Hsyi-En; Chen, Chih

2013-05-01

2-Dimensional (2-D) TiO2 thin films and 1-dimensional (1-D) TiO2 nanotube arrays were fabricated on Si and quartz substrates using atomic layer deposition (ALD) with an anodic aluminum oxide (AAO) template at 400 °C. The film thickness and the tube wall thickness can be precisely controlled using the ALD approach. The intensities of the absorption spectra were enhanced by an increase in the thickness of the TiO2 thin film and tube walls. A blue-shift was observed for a decrease in the 1-D and 2-D TiO2 nanostructure thicknesses, indicating a change in the energy band gap with the change in the size of the TiO2 nanostructures. Indirect and direct interband transitions were used to investigate the change in the energy band gap. The results indicate that both quantum confinement and interband transitions should be considered when the sizes of 1-D and 2-D TiO2 nanostructures are less than 10 nm.

Luminescence study of ZnSe/PVA (polyvinyl alcohol) composite film

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

Lahariya, Vikas

The ZnSe nanocrystals have been prepared into poly vinyl alcohol(PVA) polymer matrix on glass using ZnCl2 and Na2SeSO3 as zinc and selenium source respectively. Poly vinyl Alcohol (PVA) used as polymer matrix cum capping agent due to their high viscosity and water solubility. It is transparent for visible region and prevents Se- ions to photo oxidation. The ZnSe/PVA composite film was deposited on glass substrate. The film was characterized by X Ray Diffraction (XRD) and UV-Visible absorption Spectroscopy and Photoluminescence. The X Ray Diffraction (XRD) study confirms the nanometer size (10 nm) particle formation within PVA matrix with cubic zinc blendmore » crystal structure. The UV-Visible Absorption spectrum of ZnSe/PVA composite film shown blue shift in absorption edge indicating increased band gap due to quantum confinement. The calculated energy band gap from the absorption edge using Tauc relation is 3.4 eV. From the Photoluminescence study a broad peak at 435 nm has been observed in violet blue region due to recombination of surface states.« less

Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene

PubMed Central

Wang, Ya-ping; Ji, Wei-xiao; Zhang, Chang-wen; Li, Ping; Li, Feng; Ren, Miao-juan; Chen, Xin-Lian; Yuan, Min; Wang, Pei-ji

2016-01-01

Discovery of two-dimensional (2D) topological insulator such as group-V films initiates challenges in exploring exotic quantum states in low dimensions. Here, we perform first-principles calculations to study the geometric and electronic properties in 2D arsenene monolayer with hydrogenation (HAsH). We predict a new σ-type Dirac cone related to the px,y orbitals of As atoms in HAsH, dependent on in-plane tensile strain. Noticeably, the spin-orbit coupling (SOC) opens a quantum spin Hall (QSH) gap of 193 meV at the Dirac cone. A single pair of topologically protected helical edge states is established for the edges, and its QSH phase is confirmed with topological invariant Z2 = 1. We also propose a 2D quantum well (QW) encapsulating HAsH with the h-BN sheet on each side, which harbors a nontrivial QSH state with the Dirac cone lying within the band gap of cladding BN substrate. These findings provide a promising innovative platform for QSH device design and fabrication operating at room temperature. PMID:26839209

Understanding the shrinkage of optical absorption edges of nanostructured Cd-Zn sulphide films for photothermal applications

NASA Astrophysics Data System (ADS)

Hossain, Md. Sohrab; Kabir, Humayun; Rahman, M. Mahbubur; Hasan, Kamrul; Bashar, Muhammad Shahriar; Rahman, Mashudur; Gafur, Md. Abdul; Islam, Shariful; Amri, Amun; Jiang, Zhong-Tao; Altarawneh, Mohammednoor; Dlugogorski, Bogdan Z.

2017-01-01

In this article Cd-Zn sulphide thin films deposited onto soda lime glass substrates via chemical bath deposition (CBD) technique were investigated for photovoltaic applications. The synthesized films were investigated using X-ray diffraction (XRD), scanning electron microscopy (SEM), and ultraviolet visible (UV-vis) spectroscopic methodologies. A higher degree of crystallinity of the films was attained with the increase of film thicknesses. SEM micrographs exhibited a partial crystalline structure with a particulate appearance surrounded by the amorphous grain boundaries. The optical absorbance and absorption coefficient of the films were also enhanced significantly with the increase in film thicknesses. Optical band-gap analysis indicated a monotonic decrease in direct and indirect band-gaps with the increase of thicknesses of the films. The presence of direct and indirect transitional energies due to the exponential falling edges of the absorption curves may either be due to the lack of long-range order or to the existence of defects in the films. The declination of the optical absorption edges was also confirmed via Urbach energy and steepness parameters studies.

Vacancy defects and optoelectrical properties for fluorine tin oxide thin films with various SnF2 contents

NASA Astrophysics Data System (ADS)

Zhou, Yawei; Xu, Wenwu; Li, Jingjing; Yin, Chongshan; Liu, Yong; Zhao, Bin; Chen, Zhiquan; He, Chunqing; Mao, Wenfeng; Ito, Kenji

2018-01-01

Fluorine doped tin oxide (FTO) thin films were deposited on glass substrates by e-beam evaporation. Much higher carrier concentration, broader optical band gap, and average transmittance over 80% were obtained with SnF2 doped SnO2 thin films. Positron annihilation results showed that there are two kinds of vacancy clusters with different sizes existing in the annealed FTO thin films, and the concentration of the larger vacancy clusters of VSnO in the thin films increases with increasing SnF2 contents. Meanwhile, photoluminescence spectra results indicated that the better electrical and optical properties of the FTO thin films are attributed to FO substitutions and oxygen vacancies with higher concentration, which are supported by positron annihilation Doppler broadening results and confirmed by X-ray photoelectron spectroscopy. The results showed that widening of the optical band gap of the FTO thin films strongly depends on the carrier concentration, which is interpreted for the Burstein-Moss effect and is associated with the formation of FO and oxygen vacancies with increasing SnF2 content.

Transparent nanostructured Fe-doped TiO2 thin films prepared by ultrasonic assisted spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Rasoulnezhad, Hossein; Hosseinzadeh, Ghader; Ghasemian, Naser; Hosseinzadeh, Reza; Homayoun Keihan, Amir

2018-05-01

Nanostructured TiO2 and Fe-doped TiO2 thin films with high transparency were deposited on glass substrate through ultrasonic-assisted spray pyrolysis technique and were used in the visible light photocatalytic degradation of MB dye. The resulting thin films were characterized by scanning electron microscopy (SEM), Raman spectroscopy, photoluminescence spectroscopy, x-ray diffraction (XRD), and UV-visible absorption spectroscopy techniques. Based on Raman spectroscopy results, both of the TiO2 and Fe-doped TiO2 films have anatase crystal structure, however, because of the insertion of Fe in the structure of TiO2 some point defects and oxygen vacancies are formed in the Fe-doped TiO2 thin film. Presence of Fe in the structure of TiO2 decreases the band gap energy of TiO2 and also reduces the electron–hole recombination rate. Decreasing of the electron–hole recombination rate and band gap energy result in the enhancement of the visible light photocatalytic activity of the Fe-doped TiO2 thin film.

Barium strontium titanate thin film growth with variation of lanthanum dopant compatibility as sensor prototype in the satellite technology

NASA Astrophysics Data System (ADS)

Mulyadi; Wahyuni, Rika; Hardhienata, Hendradi; Irzaman

2018-05-01

Electrical properties of barium strontium titanate thin films were investigated. Three layers of barium strontium titanate thin films have been prepared by chemical solution deposition method and spin coating technique at 8000 rpm rotational speed for 30 seconds and temperature of annealing at 850°C for eight hours with temperature increment of 1.67°C/minute. Materials produced by the process of lanthanum dopant with doping variations of 2%, 4% and 6% above type-p silicon (100) substrates. Film obtained was then carried out the characterization using USB 2000 VIS-NIR and tauc plot method. As a result, the barium strontium titanate thin film has the value of band gap energy of 1.58 eV, 1.92 eV and 2.24 eV respectively. The characterization of electrical properties shows that the band gap value of barium strontium titanate thin film with lanthanum dopant was in the range of semiconductor value. Barium strontium titanate thin films with lanthanum dopant are sensitive to temperature changes, so it potentially to be applied to temperature monitoring on satellite technology.

Bright Electroluminescence from Single Graphene Nanoribbon Junctions

NASA Astrophysics Data System (ADS)

Chong, Michael C.; Afshar-Imani, Nasima; Scheurer, Fabrice; Cardoso, Claudia; Ferretti, Andrea; Prezzi, Deborah; Schull, Guillaume

2018-01-01

Thanks to their highly tunable band gaps, graphene nanoribbons (GNRs) with atomically precise edges are emerging as mechanically and chemically robust candidates for nanoscale light emitting devices of modulable emission color. While their optical properties have been addressed theoretically in depth, only few experimental studies exist, limited to ensemble measurements and without any attempt to integrate them in an electronic-like circuit. Here we report on the electroluminescence of individual GNRs suspended between the tip of a scanning tunneling microscope (STM) and a Au(111) substrate, constituting thus a realistic opto-electronic circuit. Emission spectra of such GNR junctions reveal a bright and narrow band emission of red light, whose energy can be tuned with the bias voltage applied to the junction, but always lying below the gap of infinite GNRs. Comparison with {\\it ab initio} calculations indicate that the emission involves electronic states localized at the GNR termini. Our results shed light on unpredicted optical transitions in GNRs and provide a promising route for the realization of bright, robust and controllable graphene-based light emitting devices.

Optical investigation of vacuum evaporated Se80-xTe20Sbx (x = 0, 6, 12) amorphous thin films

NASA Astrophysics Data System (ADS)

Deepika; Singh, Hukum

2017-09-01

Amorphous thin films of Se80-xTe20Sbx (x = 0, 6, 12) chalcogenide glasses has been deposited onto pre-cleaned glass substrate using thermal evaporation technique under a vacuum of 10-5 Torr. The absorption and transmission spectra of these thin films have been recorded using UV spectrophotometer in the spectral range 400-2500 nm at room temperature. Swanepoel envelope method has been employed to obtain film thickness and optical constants such as refractive index, extinction coefficient and dielectric constant. The optical band gap of the samples has been calculated using Tauc relation. The study reveals that optical band gap decreases on increase in Sb content. This is due to decrease in average single bond energy calculated using chemical bond approach. The values of urbach energy has also been computed to support the above observation. Variation of refractive index has also been studies in terms of wavelength and energy using WDD model and values of single oscillator energy and dispersion energy has been obtained.

Controllable band structure and topological phase transition in two-dimensional hydrogenated arsenene

NASA Astrophysics Data System (ADS)

Wang, Ya-Ping; Ji, Wei-Xiao; Zhang, Chang-Wen; Li, Ping; Li, Feng; Ren, Miao-Juan; Chen, Xin-Lian; Yuan, Min; Wang, Pei-Ji

2016-02-01

Discovery of two-dimensional (2D) topological insulator such as group-V films initiates challenges in exploring exotic quantum states in low dimensions. Here, we perform first-principles calculations to study the geometric and electronic properties in 2D arsenene monolayer with hydrogenation (HAsH). We predict a new σ-type Dirac cone related to the px,y orbitals of As atoms in HAsH, dependent on in-plane tensile strain. Noticeably, the spin-orbit coupling (SOC) opens a quantum spin Hall (QSH) gap of 193 meV at the Dirac cone. A single pair of topologically protected helical edge states is established for the edges, and its QSH phase is confirmed with topological invariant Z2 = 1. We also propose a 2D quantum well (QW) encapsulating HAsH with the h-BN sheet on each side, which harbors a nontrivial QSH state with the Dirac cone lying within the band gap of cladding BN substrate. These findings provide a promising innovative platform for QSH device design and fabrication operating at room temperature.

Topologically trivial and nontrivial edge bands in graphene induced by irradiation

NASA Astrophysics Data System (ADS)

Yang, Mou; Cai, Zhi-Jun; Wang, Rui-Qiang; Bai, Yan-Kui

2016-08-01

We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

Synthesis and photosensor study of as-grown CuZnO thin film by facile chemical bath deposition

NASA Astrophysics Data System (ADS)

Gubari, Ghamdan M. M.; Ibrahim Mohammed S., M.; Huse, Nanasaheb P.; Dive, Avinash S.; Sharma, Ramphal

2018-05-01

We have successfully deposited CuZnO thin film on a glass substrate by facile chemical bath deposition method at 85 °C for 1 hr. Structural, topographical, Optical and Electrical properties of the prepared Thin Films were investigated by XRD, Raman spectrum, AFM, UV-Visible Spectrophotometer and I-V Measurement System respectively. The X-ray diffraction (XRD) pattern confirmed the formation of the CuZnO composition when compared with standard JCPDS card (JCPDF # 75-0576 & # 36-1451). The Raman analysis shows a major peak at 458 cm-1 with E2 (High) vibrational mode. AFM images revealed uniform deposition over an entire glass substrate with 66.2 nm average roughness of the film. From the optical absorption spectrum, clear band edge around ˜407 nm was observed which results in a wide energy band gap of ˜3.04 eV. The electrical properties were measured at room temperature in the voltage range ±5 V, showed a drastic enhancement in current under light illumination with the highest photosensitivity of ˜99.9 % for 260 W.

Photoluminescence spectroscopy and the effective mass theory of strained (In,Ga)As/GaAs heterostructures grown on (112)B GaAs substrates

NASA Technical Reports Server (NTRS)

Henderson, R. H.; Sun, D.; Towe, E.

1995-01-01

The photoluminescence characteristics of pseudomorphic In(0.19)Ga(0.81)As/GaAs quantum well structures grown on both the conventional (001) and the unconventional (112)B GaAs substrate are investigated. It is found that the emission spectra of the structures grown on the (112)B surface exhibit some spectral characteristics not observed on similar structures grown on the (001) surface. A spectral blue shift of the e yields hh1 transition with increasing optical pump intensity is observed for the quantum wells on the (112) surface. This shift is interpreted to be evidence of a strain-induced piezoelectric field. A second spectral feature located within the band gap of the In(0.19)Ga(0.81)As layer is also observed for the (112) structure; this feature is thought to be an impurity-related emission. The expected transition energies of the quantum well structures are calculated using the effective mass theory based on the 4 x 4 Luttinger valence band Hamiltonian, and related strain Hamiltonian.

8-band and 14-band kp modeling of electronic band structure and material gain in Ga(In)AsBi quantum wells grown on GaAs and InP substrates

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

Gladysiewicz, M.; Wartak, M. S.; Department of Physics and Computer Science, Wilfrid Laurier University, Waterloo, Ontario N2L 3C5

The electronic band structure and material gain have been calculated for GaAsBi/GaAs quantum wells (QWs) with various bismuth concentrations (Bi ≤ 15%) within the 8-band and 14-band kp models. The 14-band kp model was obtained by extending the standard 8-band kp Hamiltonian by the valence band anticrossing (VBAC) Hamiltonian, which is widely used to describe Bi-related changes in the electronic band structure of dilute bismides. It has been shown that in the range of low carrier concentrations n < 5 × 10{sup 18 }cm{sup −3}, material gain spectra calculated within 8- and 14-band kp Hamiltonians are similar. It means that the 8-band kp model can be usedmore » to calculate material gain in dilute bismides QWs. Therefore, it can be applied to analyze QWs containing new dilute bismides for which the VBAC parameters are unknown. Thus, the energy gap and electron effective mass for Bi-containing materials are used instead of VBAC parameters. The electronic band structure and material gain have been calculated for 8 nm wide GaInAsBi QWs on GaAs and InP substrates with various compositions. In these QWs, Bi concentration was varied from 0% to 5% and indium concentration was tuned in order to keep the same compressive strain (ε = 2%) in QW region. For GaInAsBi/GaAs QW with 5% Bi, gain peak was determined to be at about 1.5 μm. It means that it can be possible to achieve emission at telecommunication windows (i.e., 1.3 μm and 1.55 μm) for GaAs-based lasers containing GaInAsBi/GaAs QWs. For GaInAsBi/Ga{sub 0.47}In{sub 0.53}As/InP QWs with 5% Bi, gain peak is predicted to be at about 4.0 μm, i.e., at the wavelengths that are not available in current InP-based lasers.« less

Designing broad phononic band gaps for in-plane modes

NASA Astrophysics Data System (ADS)

Li, Yang Fan; Meng, Fei; Li, Shuo; Jia, Baohua; Zhou, Shiwei; Huang, Xiaodong

2018-03-01

Phononic crystals are known as artificial materials that can manipulate the propagation of elastic waves, and one essential feature of phononic crystals is the existence of forbidden frequency range of traveling waves called band gaps. In this paper, we have proposed an easy way to design phononic crystals with large in-plane band gaps. We demonstrated that the gap between two arbitrarily appointed bands of in-plane mode can be formed by employing a certain number of solid or hollow circular rods embedded in a matrix material. Topology optimization has been applied to find the best material distributions within the primitive unit cell with maximal band gap width. Our results reveal that the centroids of optimized rods coincide with the point positions generated by Lloyd's algorithm, which deepens our understandings on the formation mechanism of phononic in-plane band gaps.

Band gap renormalization and Burstein-Moss effect in silicon- and germanium-doped wurtzite GaN up to 1020 cm-3

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Osterburg, Sarah; Lange, Karsten; Lidig, Christian; Garke, Bernd; Goldhahn, Rüdiger; Richter, Eberhard; Netzel, Carsten; Neumann, Maciej D.; Esser, Norbert; Fritze, Stephanie; Witte, Hartmut; Bläsing, Jürgen; Dadgar, Armin; Krost, Alois

2014-08-01

The interplay between band gap renormalization and band filling (Burstein-Moss effect) in n-type wurtzite GaN is investigated. For a wide range of electron concentrations up to 1.6×1020cm-3 spectroscopic ellipsometry and photoluminescence were used to determine the dependence of the band gap energy and the Fermi edge on electron density. The band gap renormalization is the dominating effect up to an electron density of about 9×1018cm-3; at higher values the Burstein-Moss effect is stronger. Exciton screening, the Mott transition, and formation of Mahan excitons are discussed. A quantitative understanding of the near gap transition energies on electron density is obtained. Higher energy features in the dielectric functions up to 10eV are not influenced by band gap renormalization.

Growth of BaIn2S4 layers through the hot-wall-epitaxy method and their electric/optical properties

NASA Astrophysics Data System (ADS)

Hong, K. J.; Jeong, T. S.; Youn, C. J.

2016-01-01

The epitaxial growth of photoconductive BaIn2S4 layers was first achieved through the hot-wall-epitaxy method. In spite of an existing large lattice mismatch between the substrate and layer, BaIn2S4 layers were epitaxially grown along the (440) direction onto a GaAs (100) substrate. Thus, the lattice mismatch was well interpreted through a coincidence site lattice model. From the relationship between the reciprocal temperature and the carrier concentration, the three donor levels were found to be 1.3, 20.2, and 78.3 meV below the conduction band. These donor levels are caused by the native defects originating from slight stoichiometric deviations. From the temperature dependence of the Hall mobility, two specific scatterings were observed. One, at high temperatures ranging over 180 K, is mainly due to the acoustic phonon mode of lattice vibrations through a deformation potential. The other, at low temperatures ranging below 100 K, is ascribed to the dislocation scattering. From the photocurrent (PC) measurement, three PC peaks due to band-to-band transitions were observed. Also, based on the analysis of optical absorption and PC spectra, the optical band gap has been compared and matched well with Eg(T)=Eg(0)-3.95×10-3T2/(T+499), where Eg(0) is estimated to be 3.0597, 3.2301, and 3.2606 eV for the transitions corresponding to the valence band states of peaks A, B and C, respectively.

Assessment of band gaps for alkaline-earth chalcogenides using improved Tran Blaha-modified Becke Johnson potential

NASA Astrophysics Data System (ADS)

Yedukondalu, N.; Kunduru, Lavanya; Roshan, S. C. Rakesh; Sainath, M.

2018-04-01

Assessment of band gaps for nine alkaline-earth chalcogenides namely MX (M = Ca, Sr, Ba and X = S, Se Te) compounds are reported using Tran Blaha-modified Becke Johnson (TB-mBJ) potential and its new parameterization. From the computed electronic band structures at the equilibrium lattice constants, these materials are found to be indirect band gap semiconductors at ambient conditions. The calculated band gaps are improved using TB-mBJ and its new parameterization when compared to local density approximation (LDA) and Becke Johnson potentials. We also observe that TB-mBJ new parameterization for semiconductors below 7 eV reproduces the experimental trends very well for the small band gap semiconducting alkaline-earth chalcogenides. The calculated band profiles look similar for MX compounds (electronic band structures are provided for BaS for representation purpose) using LDA and new parameterization of TB-mBJ potentials.

Narrow Band Gap Lead Sulfide Hole Transport Layers for Quantum Dot Photovoltaics.

PubMed

Zhang, Nanlin; Neo, Darren C J; Tazawa, Yujiro; Li, Xiuting; Assender, Hazel E; Compton, Richard G; Watt, Andrew A R

2016-08-24

The band structure of colloidal quantum dot (CQD) bilayer heterojunction solar cells is optimized using a combination of ligand modification and QD band gap control. Solar cells with power conversion efficiencies of up to 9.33 ± 0.50% are demonstrated by aligning the absorber and hole transport layers (HTL). Key to achieving high efficiencies is optimizing the relative position of both the valence band and Fermi energy at the CQD bilayer interface. By comparing different band gap CQDs with different ligands, we find that a smaller band gap CQD HTL in combination with a more p-type-inducing CQD ligand is found to enhance hole extraction and hence device performance. We postulate that the efficiency improvements observed are largely due to the synergistic effects of narrower band gap QDs, causing an upshift of valence band position due to 1,2-ethanedithiol (EDT) ligands and a lowering of the Fermi level due to oxidation.

Remote plasma enhanced chemical deposition of non-crystalline GeO2 on Ge and Si substrates.

PubMed

Lucovsky, Gerald; Zeller, Daniel

2011-09-01

Non-crystalline GeO2 films remote were plasma deposited at 300 degrees C onto Ge substrates after a final rinse in NH4OH. The reactant precursors gas were: (i) down-stream injected 2% GeH4 in He as the Ge precursor, and (ii) up-stream, plasma excited O2-He mixtures as the O precursor. Films annealed at 400 degrees C displayed no evidence for loss of O resulting in Ge sub-oxide formation, and for a 5-6 eV mid-gap absorption associated with formation of GeOx suboxide bonding, x < 2. These films were stable in normal laboratory ambients with no evidence for reaction with atmospheric water. Films deposited on Ge and annealed at 600 degrees C and 700 degrees C display spectra indicative of loss of O-atoms, accompanied with a 5.5 eV absorption. X-ray absorption spectroscopy and many-electron theory are combined to describe symmetries and degeneracies for O-vacancy bonding defects. These include comparisons with remote plasma-deposited non-crystalline SiO2 on Si substrates with SiON interfacial layers. Three different properties of remote plasma GeO2 films are addressed comparisons between (i) conduction band and band edge states of GeO2 and SiO2, and (ii) electronic structure of O-atom vacancy defects in GeO2 and SiO2, and differences between (iii) annealing of GeO2 films on Ge substrates, and Si substrates passivated with SiON interfacial transition regions important for device applications.

Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG) Surface and Director

DTIC Science & Technology

2014-08-01

Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG) Surface and Director by Amir I Zaghloul, Youn M... Antenna with Electromagnetic Band Gap (EBG) Surface and Director Amir I Zaghloul, Youn M Lee, Gregory A Mitchell, and Theodore K Anthony...DATES COVERED (From - To) 4. TITLE AND SUBTITLE Enhanced Ultra-Wideband (UWB) Circular Monopole Antenna with Electromagnetic Band Gap (EBG

The Marvels of Electromagnetic Band Gap (EBG) Structures

DTIC Science & Technology

2003-11-01

terminology of "Electromagnetic conference papers and journal articles dealing with Band- gaps (EBG)". Recently, many researchers the characterizations...Band Gap (EBG) Structures 9 utilized to reduce the mutual coupling between Structures: An FDTD/Prony Technique elements of antenna arrays. based on the...Band- Gap of several patents. He has had pioneering research contributions in diverse areas of electromagnetics,Snteructure", Dymposiget o l 21 IE 48

A novel theoretical model for the temperature dependence of band gap energy in semiconductors

NASA Astrophysics Data System (ADS)

Geng, Peiji; Li, Weiguo; Zhang, Xianhe; Zhang, Xuyao; Deng, Yong; Kou, Haibo

2017-10-01

We report a novel theoretical model without any fitting parameters for the temperature dependence of band gap energy in semiconductors. This model relates the band gap energy at the elevated temperature to that at the arbitrary reference temperature. As examples, the band gap energies of Si, Ge, AlN, GaN, InP, InAs, ZnO, ZnS, ZnSe and GaAs at temperatures below 400 K are calculated and are in good agreement with the experimental results. Meanwhile, the band gap energies at high temperatures (T  >  400 K) are predicted, which are greater than the experimental results, and the reasonable analysis is carried out as well. Under low temperatures, the effect of lattice expansion on the band gap energy is very small, but it has much influence on the band gap energy at high temperatures. Therefore, it is necessary to consider the effect of lattice expansion at high temperatures, and the method considering the effect of lattice expansion has also been given. The model has distinct advantages compared with the widely quoted Varshni’s semi-empirical equation from the aspect of modeling, physical meaning and application. The study provides a convenient method to determine the band gap energy under different temperatures.

Structural, Electrical and Optical Properties of Sputtered-Grown InN Films on ZnO Buffered Silicon, Bulk GaN, Quartz and Sapphire Substrates

NASA Astrophysics Data System (ADS)

Bashir, Umar; Hassan, Zainuriah; Ahmed, Naser M.; Afzal, Naveed

2018-05-01

Indium nitride (InN) films were grown on Si (111), bulk GaN, quartz and sapphire substrates by radio frequency magnetron sputtering. Prior to the film deposition, a zinc oxide (ZnO) buffer layer was deposited on all the substrates. The x-ray diffraction patterns of InN films on ZnO-buffered substrates indicated c-plane-oriented films whereas the Raman spectroscopy results indicated A1 (LO) and E2 (high) modes of InN on all the substrates. The crystalline quality of InN was found to be better on sapphire and quartz than on the other substrates. The surface roughness of InN was studied using an atomic force microscope. The results indicated higher surface roughness of the film on sapphire as compared to the others; however, roughness of the film was lower than 8 nm on all the substrates. The electrical properties indicated higher electron mobility of InN (20.20 cm2/Vs) on bulk GaN than on the other substrates. The optical band gap of InN film was more than 2 eV in all the cases and was attributed to high carrier concentration in the film.

Studying physical properties of CuInS2 absorber layers grown by spin coating method on different kinds of substrates

NASA Astrophysics Data System (ADS)

Amerioun, M. H.; Ghazi, M. E.; Izadifard, M.

2018-03-01

In this work, first the CuInS2 (CIS2) layers are deposited on Aluminum and polyethylene terephthalate (PET) as flexible substrates, and on glass and soda lime glass (SLG) as rigid substrates by the sol-gel method. Then the samples are analyzed by x-ray diffractomery (XRD) and atomic force microscope (AFM) to investigate the crystal structures and surface roughness of the samples. The I-V curve measurements and Seebeck effect setup are used to measure the electrical properties of the samples. The XRD data obtained for the CIS2 layers show that all the prepared samples have a single phase with a preferred orientation that is substrate-dependent. The samples grown on the rigid substrates had higher crystallite sizes. The results obtained for the optical measurements indicate the dependence of the band gap energy on the substrate type. The measured Seebeck coefficient showed that the carriers were of p-type in all the samples. According to the AFM images, the surface roughness also varied in the CIS2 layers with different substrates. In this regard, the type of substrate could be an important parameter for the final performance of the fabricated CIS2 cells.

Origin of band gap bowing in dilute GaAs1-xNx and GaP1-xNx alloys: A real-space view

NASA Astrophysics Data System (ADS)

Virkkala, Ville; Havu, Ville; Tuomisto, Filip; Puska, Martti J.

2013-07-01

The origin of the band gap bowing in dilute nitrogen doped gallium based III-V semiconductors is largely debated. In this paper we show the dilute GaAs1-xNx and GaP1-xNx as representative examples that the nitrogen-induced states close to the conduction band minimum propagate along the zigzag chains on the {110} planes. Thereby states originating from different N atoms interact with each other resulting in broadening of the nitrogen-induced states which narrows the band gap. Our modeling based on ab initio theoretical calculations explains the experimentally observed N concentration dependent band gap narrowing both qualitatively and quantitatively.

Small band gap superlattices as intrinsic long wavelength infrared detector materials

NASA Technical Reports Server (NTRS)

Smith, Darryl L.; Mailhiot, C.

1990-01-01

Intrinsic long wavelength (lambda greater than or equal to 10 microns) infrared (IR) detectors are currently made from the alloy (Hg, Cd)Te. There is one parameter, the alloy composition, which can be varied to control the properties of this material. The parameter is chosen to set the band gap (cut-off wavelength). The (Hg, Cd)Te alloy has the zincblend crystal structure. Consequently, the electron and light-hole effective masses are essentially inversely proportional to the band gap. As a result, the electron and light-hole effective masses are very small (M sub(exp asterisk)/M sub o approx. M sub Ih/M sub o approx. less than 0.01) whereas the heavy-hole effective mass is ordinary size (M sub hh(exp asterisk)/M sub o approx. 0.4) for the alloy compositions required for intrinsic long wavelength IR detection. This combination of effective masses leads to rather easy tunneling and relatively large Auger transition rates. These are undesirable characteristics, which must be designed around, of an IR detector material. They follow directly from the fact that (Hg, Cd)Te has the zincblend crystal structure and a small band gap. In small band gap superlattices, such as HgTe/CdTe, In(As, Sb)/InSb and InAs/(Ga,In)Sb, the band gap is determined by the superlattice layer thicknesses as well as by the alloy composition (for superlattices containing an alloy). The effective masses are not directly related to the band gap and can be separately varied. In addition, both strain and quantum confinement can be used to split the light-hole band away from the valence band maximum. These band structure engineering options can be used to reduce tunneling probabilities and Auger transition rates compared with a small band gap zincblend structure material. Researchers discuss the different band structure engineering options for the various classes of small band gap superlattices.

Quasiparticle band gap of organic-inorganic hybrid perovskites: Crystal structure, spin-orbit coupling, and self-energy effects

NASA Astrophysics Data System (ADS)

Gao, Weiwei; Gao, Xiang; Abtew, Tesfaye A.; Sun, Yi-Yang; Zhang, Shengbai; Zhang, Peihong

2016-02-01

The quasiparticle band gap is one of the most important materials properties for photovoltaic applications. Often the band gap of a photovoltaic material is determined (and can be controlled) by various factors, complicating predictive materials optimization. An in-depth understanding of how these factors affect the size of the gap will provide valuable guidance for new materials discovery. Here we report a comprehensive investigation on the band gap formation mechanism in organic-inorganic hybrid perovskites by decoupling various contributing factors which ultimately determine their electronic structure and quasiparticle band gap. Major factors, namely, quasiparticle self-energy, spin-orbit coupling, and structural distortions due to the presence of organic molecules, and their influences on the quasiparticle band structure of organic-inorganic hybrid perovskites are illustrated. We find that although methylammonium cations do not contribute directly to the electronic states near band edges, they play an important role in defining the band gap by introducing structural distortions and controlling the overall lattice constants. The spin-orbit coupling effects drastically reduce the electron and hole effective masses in these systems, which is beneficial for high carrier mobilities and small exciton binding energies.

Atomic scale origins of sub-band gap optical absorption in gold-hyperdoped silicon

NASA Astrophysics Data System (ADS)

Ferdous, Naheed; Ertekin, Elif

2018-05-01

Gold hyperdoped silicon exhibits room temperature sub band gap optical absorption, with potential applications as infrared absorbers/detectors and impurity band photovoltaics. We use first-principles density functional theory to establish the origins of the sub band gap response. Substitutional gold AuSi and substitutional dimers AuSi - AuSi are found to be the energetically preferred defect configurations, and AuSi gives rise to partially filled mid-gap defect bands well offset from the band edges. AuSi is predicted to offer substantial sub-band gap absorption, exceeding that measured in prior experiments by two orders of magnitude for similar Au concentration. This suggests that in experimentally realized systems, in addition to AuSi, the implanted gold is accommodated by the lattice in other ways, including other defect complexes and gold precipitates. We further identify that it is energetically favorable for isolated AuSi to form AuSi - AuSi, which by contrast do not exhibit mid-gap states. The formation of dimers and other complexes could serve as nuclei in the earliest stages of Au precipitation, which may be responsible for the observed rapid deactivation of sub-band gap response upon annealing.

Modification of electronic properties of graphene by using low-energy K{sup +} ions

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

Kim, Jingul; Lee, Paengro; Ryu, Mintae

2016-05-02

Despite its superb electronic properties, the semi-metallic nature of graphene with no band gap (E{sub g}) at the Dirac point has been a stumbling block for its industrial application. We report an improved means of producing a tunable band gap over other schemes by doping low energy (10 eV) potassium ions (K{sup +}) on single layer graphene formed on 6H-SiC(0001) surface, where the noble Dirac nature of the π-band remains almost unaltered. The changes in the π-band induced by K{sup +} ions reveal that the band gap increases gradually with increasing dose (θ) of the ions up to E{sub g} = 0.65 eV atmore » θ = 1.10 monolayers, demonstrating the tunable character of the band gap. Our core level data for C 1s, Si 2p, and K 2p suggest that the K{sup +}-induced asymmetry in charge distribution among carbon atoms drives the opening of band gap, which is in sharp contrast with no band gap when neutral K atoms are adsorbed on graphene. This tunable K{sup +}-induced band gap in graphene illustrates its potential application in graphene-based nano-electronics.« less

Novel BTlGaN semiconducting materials for infrared opto-electronic devices

NASA Astrophysics Data System (ADS)

Assali, Abdenacer; Bouslama, M'hamed

2017-03-01

BTlGaN quaternary alloys are proposed as new semiconductor materials for infrared opto-electronic applications. The structural and opto-electronic properties of zinc blende BxTlyGa1-x-yN alloys lattice matched to GaN with (0 ⩽ x and y ⩽ 0.187) are studied using density functional theory (DFT) within full-potential linearized augmented plane wave (FP-LAPW) method. The calculated structural parameters such as lattice constant a0 and bulk modulus B0 are found to be in good agreement with experimental data using the new form of generalized gradient approximation (GGA-WC). The band gaps of the compounds are also found very close to the experimental results using the recently developed Tran-Blaha-modified Becke-Johnson (TB-mBJ) exchange potential. A quaternary BxTlyGa1-x-yN is expected to be lattice matched to the GaN substrate with concentrations x = 0.125 and y = 0.187 allows to produce high interface layers quality. It has been found that B incorporation into BTlGaN does not significantly affect the band gap, while the addition of dilute Tl content leads to induce a strong reduction of the band gap, which in turn increases the emission wavelengths to the infrared region. The refractivity, reflectivity and absorption coefficient of these alloys were investigated. BTlGaN/GaN is an interesting new material to be used as active layer/barriers in quantum wells suitable for realizing advanced Laser Diodes and Light-Emitting Diodes as new sources of light emitting in the infrared spectrum region.

Structural characterization of nickel oxide/hydroxide nanosheets produced by CBD technique

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

Taşköprü, T., E-mail: ttaskopru@anadolu.edu.tr; Department of Physics, Çankırı Karatekin University, Çankırı 18100; Zor, M.

2015-10-15

Graphical abstract: SEM images of (a) as deposited β-Ni(OH)2 and (b) NiO samples deposited with pH 10 solution. The inset figures shows the absorbance spectra of (a) β-Ni(OH)2 and (b) NiO samples. - Highlights: • The formation of β-Ni(OH){sub 2} and NiO were confirmed with XRD, SEM, FT-IR and Raman. • Porous nickel oxide was synthesized after heat treatment of nickel hydroxide. • The increase in pH value changes the nanoflake structure to hexagonal nanosheet. • On increasing the pH from 8 to 11, the band gap decreases from 3.52 to 3.37 eV. - Abstract: Nickel hydroxide samples were depositedmore » onto glass substrates using Ni(NO{sub 3}){sub 2}·6H{sub 2}O and aqueous ammonia by chemical bath deposition technique. The influence of pH of solution was investigated by means of X-ray diffraction, field emission scanning electron microscopy, Fourier transform infrared, Raman spectroscopy, optical absorption and BET analysis. The as-deposited samples were identified as β-Ni(OH){sub 2}, were transformed into NiO after heat treatment in air at 500 °C for 2 h. Porous nickel oxide nanosheets are obtained by heating nickel hydroxide nanosheets. The optical transitions observed in the absorbance spectra below optical band gap is due to defects or Ni{sup 2+} vacancies in NiO samples. The band gap energy of NiO samples changes between 3.37 and 3.52 eV depending on the pH values.« less

Investigation the effect of lattice angle on the band gap width in 3D phononic crystals with rhombohedral(I) lattice

NASA Astrophysics Data System (ADS)

Salehi, H.; Aryadoust, M.; Shoushtari, M. Zargar

2014-07-01

In this paper, the propagation of acoustic waves in the phononic crystal of 3D with rhombohedral(I) lattice is studied theoretically. The crystal composite constituted of nickel spheres embedded in epoxy. The calculations of the band structure and density of states are performed with the plane wave expansion method in the irreducible part of Brillouin zone. In the present work, we have investigated the effect of lattice angle on the band structure and width of the band gap rhombohedral(I) lattice in the irreducible part of the first Brillouin zone and its planes separately. The results show that more than one complete band gape are formed in the four planes of the irreducible part. The most complete band gaps are formed in the (111) plane and the widest complete band gap in (443) with an angle greater than 80. So, if the sound passes through the (111) and (443) planes for the lattice angle close to 90, the crystal phononic displays the excellent insulation behavior. Moreover, in the other planes, the lattice angle does not affect on the width and the number of band gaps. Also, for the filling fraction 5 %, the widest complete band gap is formed. These results are consistent with the effect of symmetry on the band gap width, because the (111) plane has the most symmetry.

Design of radial phononic crystal using annular soft material with low-frequency resonant elastic structures

NASA Astrophysics Data System (ADS)

Gao, Nansha; Wu, Jiu Hui; Yu, Lie; Xin, Hang

2016-10-01

Using FEM, we theoretically study the vibration properties of radial phononic crystal (RPC) with annular soft material. The band structures, transmission spectra, and displacement fields of eigenmode are given to estimate the starting and cut-off frequency of band gaps. Numerical calculation results show that RPC with annular soft material can yield low-frequency band gaps below 350 Hz. Annular soft material decreases equivalent stiffness of the whole structure effectively, and makes corresponding band gaps move to the lower frequency range. Physical mechanism behind band gaps is the coupling effect between long or traveling wave in plate matrix and the vibrations of corrugations. By changing geometrical dimensions of plate thickness e, the length of silicone rubber h2, and the corrugation width b, we can control the location and width of the first band gap. These research conclusions of RPC structure with annular soft material can potentially be applied to optimize band gaps, generate filters, and design acoustic devices.

Band structures in two-dimensional phononic crystals with periodic Jerusalem cross slot

NASA Astrophysics Data System (ADS)

Li, Yinggang; Chen, Tianning; Wang, Xiaopeng; Yu, Kunpeng; Song, Ruifang

2015-01-01

In this paper, a novel two-dimensional phononic crystal composed of periodic Jerusalem cross slot in air matrix with a square lattice is presented. The dispersion relations and the transmission coefficient spectra are calculated by using the finite element method based on the Bloch theorem. The formation mechanisms of the band gaps are analyzed based on the acoustic mode analysis. Numerical results show that the proposed phononic crystal structure can yield large band gaps in the low-frequency range. The formation mechanism of opening the acoustic band gaps is mainly attributed to the resonance modes of the cavities inside the Jerusalem cross slot structure. Furthermore, the effects of the geometrical parameters on the band gaps are further explored numerically. Results show that the band gaps can be modulated in an extremely large frequency range by the geometry parameters such as the slot length and width. These properties of acoustic waves in the proposed phononic crystals can potentially be applied to optimize band gaps and generate low-frequency filters and waveguides.

Superconductivity proximate to antiferromagnetism in a copper-oxide monolayer grown on Bi2Sr2CaCu2O8 +δ

NASA Astrophysics Data System (ADS)

Wang, Shuai; Zhang, Long; Wang, Fa

2018-01-01

A nodeless superconducting (SC) gap was reported in a recent scanning tunneling spectroscopy experiment of a copper-oxide monolayer grown on a Bi2Sr2CaCu2O8 +δ (Bi2212) substrate [Zhong et al., Sci. Bull. 61, 1239 (2016), 10.1007/s11434-016-1145-4], which is in stark contrast to the nodal d -wave pairing gap in the bulk cuprates. Motivated by this experiment, we first show with first-principles calculations that the tetragonal CuO (T-CuO) monolayer on the Bi2212 substrate is more stable than the commonly postulated CuO2 structure. The T-CuO monolayer is composed of two CuO2 layers sharing the same O atoms. The band structure is obtained by first-principles calculations, and its strong electron correlation is treated with the renormalized mean-field theory. We argue that one CuO2 sublattice is hole doped while the other sublattice remains half filled and may have antiferromagnetic (AF) order. The doped Cu sublattice can show d -wave SC; however, its proximity to the AF Cu sublattice induces a spin-dependent hopping, which splits the Fermi surface and may lead to a full SC gap. Therefore, the nodeless SC gap observed in the experiment could be accounted for by the d -wave SC proximity to an AF order, thus it is extrinsic rather than intrinsic to the CuO2 layers.

Tuning Ferritin’s band gap through mixed metal oxide nanoparticle formation

NASA Astrophysics Data System (ADS)

Olsen, Cameron R.; Embley, Jacob S.; Hansen, Kameron R.; Henrichsen, Andrew M.; Peterson, J. Ryan; Colton, John S.; Watt, Richard K.

2017-05-01

This study uses the formation of a mixed metal oxide inside ferritin to tune the band gap energy of the ferritin mineral. The mixed metal oxide is composed of both Co and Mn, and is formed by reacting aqueous Co2+ with {{{{MnO}}}4}- in the presence of apoferritin. Altering the ratio between the two reactants allowed for controlled tuning of the band gap energies. All minerals formed were indirect band gap materials, with indirect band gap energies ranging from 0.52 to 1.30 eV. The direct transitions were also measured, with energy values ranging from 2.71 to 3.11 eV. Tuning the band gap energies of these samples changes the wavelengths absorbed by each mineral, increasing ferritin’s potential in solar-energy harvesting. Additionally, the success of using {{{{MnO}}}4}- in ferritin mineral formation opens the possibility for new mixed metal oxide cores inside ferritin.

Tunable band gaps in bio-inspired periodic composites with nacre-like microstructure

NASA Astrophysics Data System (ADS)

Chen, Yanyu; Wang, Lifeng

2014-08-01

Periodic composite materials have many promising applications due to their unique ability to control the propagation of waves. Here, we report the existence and frequency tunability of complete elastic wave band gaps in bio-inspired periodic composites with nacre-like, brick-and-mortar microstructure. Numerical results show that complete band gaps in these periodic composites derive from local resonances or Bragg scattering, depending on the lattice angle and the volume fraction of each phase in the composites. The investigation of elastic wave propagation in finite periodic composites validates the simulated complete band gaps and further reveals the mechanisms leading to complete band gaps. Moreover, our results indicate that the topological arrangement of the mineral platelets and changes of material properties can be utilized to tune the evolution of complete band gaps. Our finding provides new opportunities to design mechanically robust periodic composite materials for wave absorption under hostile environments, such as for deep water applications.

Finite element method analysis of band gap and transmission of two-dimensional metallic photonic crystals at terahertz frequencies.

PubMed

Degirmenci, Elif; Landais, Pascal

2013-10-20

Photonic band gap and transmission characteristics of 2D metallic photonic crystals at THz frequencies have been investigated using finite element method (FEM). Photonic crystals composed of metallic rods in air, in square and triangular lattice arrangements, are considered for transverse electric and transverse magnetic polarizations. The modes and band gap characteristics of metallic photonic crystal structure are investigated by solving the eigenvalue problem over a unit cell of the lattice using periodic boundary conditions. A photonic band gap diagram of dielectric photonic crystal in square lattice array is also considered and compared with well-known plane wave expansion results verifying our FEM approach. The photonic band gap designs for both dielectric and metallic photonic crystals are consistent with previous studies obtained by different methods. Perfect match is obtained between photonic band gap diagrams and transmission spectra of corresponding lattice structure.

Theoretical aspects of photonic band gap in 1D nano structure of LN: MgLN periodic layer

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

Sisodia, Namita, E-mail: namitasisodiya@gmail.com

2015-06-24

By using the transfer matrix method, we have analyzed the photonic band gap properties in a periodic layer of LN:MgLN medium. The Width of alternate layers of LN and MgLN is in the range of hundred nanometers. The birefringent and ferroelectric properties of the medium (i.e ordinary, extraordinary refractive indices and electric dipole moment) is given due considerations in the formulation of photonic band gap. Effect of electronic transition dipole moment of the medium on photonic band gap is also taken into account. We find that photonic band gap can be modified by the variation in the ratio of themore » width of two medium. We explain our findings by obtaining numerical values and the effect on the photonic band gap due to variation in the ratio of alternate medium is shown graphically.« less

Oxidation of GaAs substrates to enable β-Ga2O3 films for sensors and optoelectronic devices

NASA Astrophysics Data System (ADS)

Mao, Howard; Alhalaili, Badriyah; Kaya, Ahmet; Dryden, Daniel M.; Woodall, Jerry M.; Islam, M. Saif

2017-08-01

A very simple and inexpensive method for growing β-Ga2O3 films by heating GaAs wafers at high temperature in a furnace was found to contribute to large-area, high-quality β-Ga2O3 nanoscale thin films as well as nanowires depending on the growth conditions. We present the material characterization results including the optical band gap, Schottky barrier height with metal (gold), field ionization and photoconductance of β-Ga2O3 film and nanowires.

Influence of Bi-related impurity states on the bandgap and spin-orbit splitting energy of dilute III-V-Bi alloys: InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix

NASA Astrophysics Data System (ADS)

Samajdar, D. P.; Dhar, S.

2016-01-01

Valence Band Anticrossing (VBAC) Model is used to calculate the changes in band structure of Bi containing alloys such as InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix due to the incorporation of dilute concentrations of bismuth. The coupling parameter CBi which gives the magnitude of interaction of Bi impurity states with the LH, HH and SO sub bands in VBAC depends on the increase in the HH/LH related energy level EHH/LH+, location of the Bi related impurity level EBi and valence band offset ΔEVBM between the endpoint compounds in the corresponding III-V-Bi. The reduction in band gap as well as the enhancement of the spin-orbit splitting energy is well explained using this model and the calculated results are compared with the results of Virtual Crystal Approximation (VCA) and Density Functional Theory (DFT) calculations, as well as with the available experimental data and are found to have good agreement. The incorporation of Bi mainly perturbs the valence band due to the interaction of the Bi impurity states with the HH, LH and SO bands. The lowering of the conduction band minimum (CBM) due to VCA is added with the upward movement of the HH/LH bands to get the total reduction in band gap for the bismides. The valence band shifts of 31.9, 32.5, 20.8 and 12.4 meV/at%Bi for InP1-xBix, InAs1-xBix, InSb1-xBix and GaSb1-xBix respectively constitute 65, 76, 59 and 31% of the total band gap reduction and the rest is the contribution of the conduction band shift. The spin-orbit splitting energy also shows significant increase with the maximum change in InPBi and the minimum in InSbBi. The same is true for Ga containing bismides if we make a comparison with the available values for GaAsBi and GaPBi with that of GaSbBi. It has also been observed that the increase in splitting energy is greater in case of the bismides such as InAsBi, InPBi and GaAsBi than the bismides such as InSbBi and GaSbBi with the parent substrates having higher values of splitting energy. This may be due to the proximity of the Bi related impurity level EBi with the SO bands of InAs, InP and GaAs.

Photoreflectance for in-situ characterization of MOCVD growth of semiconductors under micro-gravity conditions

NASA Technical Reports Server (NTRS)

Pollak, Fred H.

1990-01-01

A contactless electromodulation technique of photoreflectance (PR) was developed for in-situ monitoring of metal-organic chemical vapor deposition (MOCVD) semiconductor growth for micro-gravity applications. PR can be employed in a real MOCVD reactor including rotating substrate (approximately 500 rev/min) in flowing gases and through a diffuser plate. Measurements on GaAs and Ga(0.82)Al(0.18)As were made up to 690 C. The direct band gaps of In(x)Ga(1-x)As (x = 0.07 and 0.16) were evaluated up to 600 C. In order to address the question of real time measurement, the spectra of the direct gap of GaAs at 650 C was obtained in 30 seconds and 15 seconds seems feasible.

Highly strained InAlP/InGaAs-based coupled double quantum wells on InP substrates

NASA Astrophysics Data System (ADS)

Gozu, Shin-ichiro; Mozume, Teruo

2018-05-01

InAlP/InGaAs based coupled double quantum wells (CDQWs) are proposed for optelectronic devices utilizing intersubband transitions. The aim of the proposed CDQW structure was to reduce the Al volume as compared with that in InGaAs/AlAsSb(AlAs/InAlAs) based CDQWs. By careful consideration of the band gap energy as well as conduction band offset and lattice constants for III–V materials, highly strained InAlP was chosen as the barrier material. With the appropriate CDQW structure and under the optimized growth conditions, proposed CDQWs exhibited clear X-ray diffraction satellite peaks, and almost identical optical absorption spectrum as compared with the InGaAs/AlAs/InAlAs CDQWs.

Study of optical reflectance properties in 1D annular photonic crystal containing double negative (DNG) metamaterials

NASA Astrophysics Data System (ADS)

Srivastava, Sanjeev K.; Aghajamali, Alireza

2016-05-01

Theoretical investigation of photonic band gaps or reflection bands in one-dimensional annular photonic crystal (APC) containing double negative (DNG) metamaterials and air has been presented. The proposed structure consists of the alternate layers of dispersive DNG material and air immersed in free space. In order to study photonic band gaps we obtain the reflectance spectrum of the annular PC by employing the transfer matrix method (TMM) in the cylindrical waves for both TE and TM polarizations. In this work we study the effect of azimuthal mode number (m) and starting radius (ρ0) on the three band gaps viz. zero averaged refractive index (zero-nbar) gap, zero permittivity (zero- ε) and zero permeability (zero- μ) gaps. It is found that for m ≥ 1 , zero- μ gap appears in TE mode and zero- ε gap appears in TM mode. The width of both zero- μ and zero- ε gap increases by increasing m values, but the enhancement of zero- μ gap is more appreciable. Also, the effect of ρ0 on the three band gaps (reflection bands) of annular PC structure at the given m-number has been studied, for both TE and TM polarizations. The result shows that in both polarizations zero- ε and zero- μ gaps decreases when ρ0 increases, whereas zero-nbar gap remains invariant.

Gallium arsenide/gold nanostructures deposited using plasma method

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

Mangla, O.; Physics Department, Hindu College, University of Delhi, Delhi, 110007; Roy, S.

2016-05-23

The fabrication of gallium arsenide (GaAs) nanostructures on gold coated glass, quartz and silicon substrates using the high fluence and highly energetic ions has been reported. The high fluence and highly energetic ions are produced by the hot, dense and extremely non-equilibrium plasma in a modified dense plasma focus device. The nanostructures having mean size about 14 nm, 13 nm and 18 nm are deposited on gold coated glass, quartz and silicon substrates, respectively. The optical properties of nanostructures studied using absorption spectra show surface plasmon resonance peak of gold nanoparticles. In addition, the band-gap of GaAs nanoparticles is more than that ofmore » bulk GaAs suggesting potential applications in the field of optoelectronic and sensor systems.« less

ZnO thin-film transistors with a polymeric gate insulator built on a polyethersulfone substrate

NASA Astrophysics Data System (ADS)

Hyung, Gun Woo; Park, Jaehoon; Koo, Ja Ryong; Choi, Kyung Min; Kwon, Sang Jik; Cho, Eou Sik; Kim, Yong Seog; Kim, Young Kwan

2012-03-01

Zinc oxide (ZnO) thin-film transistors (TFTs) with a cross-linked poly(vinyl alcohol) (c-PVA) insulator are fabricated on a polyethersulfone substrate. The ZnO film, formed by atomic layer deposition, shows a polycrystalline hexagonal structure with a band gap energy of about 3.37 eV. The fabricated ZnO TFT exhibits a field-effect mobility of 0.38 cm2/Vs and a threshold voltage of 0.2 V. The hysteresis of the device is mainly caused by trapped electrons at the c-PVA/ZnO interface, whereas the positive threshold voltage shift occurs as a consequence of constant positive gate bias stress after 5000 s due to an electron injection from the ZnO film into the c-PVA insulator.

Homojunction GaAs solar cells grown by close space vapor transport

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

Boucher, Jason W.; Ritenour, Andrew J.; Greenaway, Ann L.

2014-06-08

We report on the first pn junction solar cells grown by homoepitaxy of GaAs using close space vapor transport (CSVT). Cells were grown both on commercial wafer substrates and on a CSVT absorber film, and had efficiencies reaching 8.1%, open circuit voltages reaching 909 mV, and internal quantum efficiency of 90%. The performance of these cells is partly limited by the electron diffusion lengths in the wafer substrates, as evidenced by the improved peak internal quantum efficiency in devices fabricated on a CSVT absorber film. Unoptimized highly-doped n-type emitters also limit the photocurrent, indicating that thinner emitters with reduced doping,more » and ultimately wider band gap window or surface passivation layers, are required to increase the efficiency.« less

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

Xu, Hao-Min; Wang, Huan-Chun; Shen, Yang

Single phase polycrystalline BiFeO{sub 3} thin films were grown on three different substrates via chemical solution deposition. Our results indicate that the band gap of as-prepared BiFeO{sub 3} films can be tuned (2.02–2.67 eV) by the grain size effects caused by the substrates. These BiFeO{sub 3} films show good photocatalytic properties by the degradation of Congo red solution under visible-light irradiation (λ{sub  }> 400 nm). Additionally, weak ferromagnetic behaviors can be observed at room temperature in all the films, which should be correlated to the destruction of the incommensurate cycloid spin structure of BiFeO{sub 3} phase and the coexistence of Fe{sup 3+} andmore » Fe{sup 2+} as confirmed by X-ray photoelectron spectroscopy.« less

Band gap opening in α-graphyne by adsorption of organic molecule

NASA Astrophysics Data System (ADS)

Majidi, R.; Karami, A. R.

2014-09-01

The lack of a band gap limits the application of graphyne in nanoelectronic devices. We have investigated possibility of opening a band gap in α-graphyne by adsorption of tetracyanoethylene. The electronic property of α-graphyne in the presence of different numbers of tetracyanoethylene has been studied using density functional theory. It is found that charge is transferred from graphyne sheet to tetracyanoethylene molecules. In the presence of this electron acceptor molecule, a semimetal α-graphyne shows semiconducting property. The energy band gap at the Dirac point is enhanced by increasing the number of tetracyanoethylene. Our results provide a simple method to create and control the band gap in α-graphyne.

Thin film solar cell including a spatially modulated intrinsic layer

DOEpatents

Guha, Subhendu; Yang, Chi-Chung; Ovshinsky, Stanford R.

1989-03-28

One or more thin film solar cells in which the intrinsic layer of substantially amorphous semiconductor alloy material thereof includes at least a first band gap portion and a narrower band gap portion. The band gap of the intrinsic layer is spatially graded through a portion of the bulk thickness, said graded portion including a region removed from the intrinsic layer-dopant layer interfaces. The band gap of the intrinsic layer is always less than the band gap of the doped layers. The gradation of the intrinsic layer is effected such that the open circuit voltage and/or the fill factor of the one or plural solar cell structure is enhanced.

Unexpected Giant-Gap Quantum Spin Hall Insulator in Chemically Decorated Plumbene Monolayer

PubMed Central

Zhao, Hui; Zhang, Chang-wen; Ji, Wei-xiao; Zhang, Run-wu; Li, Sheng-shi; Yan, Shi-shen; Zhang, Bao-min; Li, Ping; Wang, Pei-ji

2016-01-01

Quantum spin Hall (QSH) effect of two-dimensional (2D) materials features edge states that are topologically protected from backscattering by time-reversal symmetry. However, the major obstacles to the application for QSH effect are the lack of suitable QSH insulators with a large bulk gap. Here, we predict a novel class of 2D QSH insulators in X-decorated plumbene monolayers (PbX; X = H, F, Cl, Br, I) with extraordinarily giant bulk gaps from 1.03 eV to a record value of 1.34 eV. The topological characteristic of PbX mainly originates from s-px,y band inversion related to the lattice symmetry, while the effect of spin-orbital coupling (SOC) is only to open up a giant gap. Their QSH states are identified by nontrivial topological invariant Z2 = 1, as well as a single pair of topologically protected helical edge states locating inside the bulk gap. Noticeably, the QSH gaps of PbX are tunable and robust via external strain. We also propose high-dielectric-constant BN as an ideal substrate for the experimental realization of PbX, maintaining its nontrivial topology. These novel QSH insulators with giant gaps are a promising platform to enrich topological phenomena and expand potential applications at high temperature. PMID:26833133

Room Temperature Quantum Spin Hall Insulator in Ethynyl-Derivative Functionalized Stanene Films

PubMed Central

Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao; Li, Sheng-shi; Yan, Shi-shen; Hu, Shu-jun; Li, Ping; Wang, Pei-ji; Li, Feng

2016-01-01

Quantum spin Hall (QSH) insulators feature edge states that topologically protected from backscattering. However, the major obstacles to application for QSH effect are the lack of suitable QSH insulators with a large bulk gap. Based on first-principles calculations, we predict a class of large-gap QSH insulators in ethynyl-derivative functionalized stanene (SnC2X; X = H, F, Cl, Br, I), allowing for viable applications at room temperature. Noticeably, the SnC2Cl, SnC2Br, and SnC2I are QSH insulators with a bulk gap of ~0.2 eV, while the SnC2H and SnC2F can be transformed into QSH insulator under the tensile strains. A single pair of topologically protected helical edge states is established for the edge of these systems with the Dirac point locating at the bulk gap, and their QSH states are confirmed with topological invariant Z2 = 1. The films on BN substrate also maintain a nontrivial large-gap QSH effect, which harbors a Dirac cone lying within the band gap. These findings may shed new light in future design and fabrication of large-gap QSH insulators based on two-dimensional honeycomb lattices in spintronics. PMID:26728874

All-optical band engineering of gapped Dirac materials

NASA Astrophysics Data System (ADS)

Kibis, O. V.; Dini, K.; Iorsh, I. V.; Shelykh, I. A.

2017-03-01

We demonstrate theoretically that the interaction of electrons in gapped Dirac materials (gapped graphene and transition-metal dichalchogenide monolayers) with a strong off-resonant electromagnetic field (dressing field) substantially renormalizes the band gaps and the spin-orbit splitting. Moreover, the renormalized electronic parameters drastically depend on the field polarization. Namely, a linearly polarized dressing field always decreases the band gap (and, particularly, can turn the gap into zero), whereas a circularly polarized field breaks the equivalence of valleys in different points of the Brillouin zone and can both increase and decrease corresponding band gaps. As a consequence, the dressing field can serve as an effective tool to control spin and valley properties of the materials and be potentially exploited in optoelectronic applications.

Gallium Phosphide Integrated with Silicon Heterojunction Solar Cells

NASA Astrophysics Data System (ADS)

Zhang, Chaomin

It has been a long-standing goal to epitaxially integrate III-V alloys with Si substrates which can enable low-cost microelectronic and optoelectronic systems. Among the III-V alloys, gallium phosphide (GaP) is a strong candidate, especially for solar cells applications. Gallium phosphide with small lattice mismatch ( 0.4%) to Si enables coherent/pseudomorphic epitaxial growth with little crystalline defect creation. The band offset between Si and GaP suggests that GaP can function as an electron-selective contact, and it has been theoretically shown that GaP/Si integrated solar cells have the potential to overcome the limitations of common a-Si based heterojunction (SHJ) solar cells. Despite the promising potential of GaP/Si heterojunction solar cells, there are two main obstacles to realize high performance photovoltaic devices from this structure. First, the growth of the polar material (GaP) on the non-polar material (Si) is a challenge in how to suppress the formation of structural defects, such as anti-phase domains (APD). Further, it is widely observed that the minority-carrier lifetime of the Si substrates is significantly decreased during epitaxially growth of GaP on Si. In this dissertation, two different GaP growth methods were compared and analyzed, including migration-enhanced epitaxy (MEE) and traditional molecular beam epitaxy (MBE). High quality GaP can be realized on precisely oriented (001) Si substrates by MBE growth, and the investigation of structural defect creation in the GaP/Si epitaxial structures was conducted using high resolution X-ray diffraction (HRXRD) and high resolution transmission electron microscopy (HRTEM). The mechanisms responsible for lifetime degradation were further investigated, and it was found that external fast diffusors are the origin for the degradation. Two practical approaches including the use of both a SiNx diffusion barrier layer and P-diffused layers, to suppress the Si minority-carrier lifetime degradation during GaP epitaxial growth on Si by MBE were proposed. To achieve high performance of GaP/Si solar cells, different GaP/Si structures were designed, fabricated and compared, including GaP as a hetero-emitter, GaP as a heterojunction on the rear side, inserting passivation membrane layers at the GaP/Si interface, and GaP/wet-oxide functioning as a passivation contact. A designed of a-Si free carrier-selective contact MoOx/Si/GaP solar cells demonstrated 14.1% power conversion efficiency.

The band gap properties of the three-component semi-infinite plate-like LRPC by using PWE/FE method

NASA Astrophysics Data System (ADS)

Qian, Denghui; Wang, Jianchun

2018-06-01

This paper applies coupled plane wave expansion and finite element (PWE/FE) method to calculate the band structure of the proposed three-component semi-infinite plate-like locally resonant phononic crystal (LRPC). In order to verify the accuracy of the result, the band structure calculated by PWE/FE method is compared to that calculated by the traditional finite element (FE) method, and the frequency range of the band gap in the band structure is compared to that of the attenuation in the transmission power spectrum. Numerical results and further analysis demonstrate that a band gap is opened by the coupling between the dominant vibrations of the rubber layer and the matrix modes. In addition, the influences of the geometry parameters on the band gap are studied and understood with the help of the simple “base-spring-mass” model, the influence of the viscidity of rubber layer on the band gap is also investigated.

A Unifying Perspective on Oxygen Vacancies in Wide Band Gap Oxides.

PubMed

Linderälv, Christopher; Lindman, Anders; Erhart, Paul

2018-01-04

Wide band gap oxides are versatile materials with numerous applications in research and technology. Many properties of these materials are intimately related to defects, with the most important defect being the oxygen vacancy. Here, using electronic structure calculations, we show that the charge transition level (CTL) and eigenstates associated with oxygen vacancies, which to a large extent determine their electronic properties, are confined to a rather narrow energy range, even while band gap and the electronic structure of the conduction band vary substantially. Vacancies are classified according to their character (deep versus shallow), which shows that the alignment of electronic eigenenergies and CTL can be understood in terms of the transition between cavity-like localized levels in the large band gap limit and strong coupling between conduction band and vacancy states for small to medium band gaps. We consider both conventional and hybrid functionals and demonstrate that the former yields results in very good agreement with the latter provided that band edge alignment is taken into account.

Realistic absorption coefficient of ultrathin films

NASA Astrophysics Data System (ADS)

Cesaria, M.; Caricato, A. P.; Martino, M.

2012-10-01

Both a theoretical algorithm and an experimental procedure are discussed of a new route to determine the absorption/scattering properties of thin films deposited on transparent substrates. Notably, the non-measurable contribution of the film-substrate interface is inherently accounted for. While the experimental procedure exploits only measurable spectra combined according to a very simple algorithm, the theoretical derivation does not require numerical handling of the acquired spectra or any assumption on the film homogeneity and substrate thickness. The film absorption response is estimated by subtracting the measured absorption spectrum of the bare substrate from that of the film on the substrate structure but in a non-straightforward way. In fact, an assumption about the absorption profile of the overall structure is introduced and a corrective factor accounting for the relative film-to-substrate thickness. The method is tested on films of a well known material (ITO) as a function of the film structural quality and influence of the film-substrate interface, both deliberately changed by thickness tuning and doping. Results are found fully consistent with information obtained by standard optical analysis and band gap values reported in the literature. Additionally, comparison with a conventional method demonstrates that our route is generally more accurate even if particularly suited for very thin films.

Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying.

PubMed

Du, Ke-Zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

2017-07-03

The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band-gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1-x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

The quasiparticle band structure of zincblende and rocksalt ZnO.

PubMed

Dixit, H; Saniz, R; Lamoen, D; Partoens, B

2010-03-31

We present the quasiparticle band structure of ZnO in its zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. The effect of the p-d hybridization on the quasiparticle corrections to the band gap is discussed. We compare three systems, ZB-ZnO which shows strong p-d hybridization and has a direct band gap, RS-ZnO which is also hybridized but includes inversion symmetry and therefore has an indirect band gap, and ZB-ZnS which shows a weaker hybridization due to a change of the chemical species from oxygen to sulfur. The quasiparticle corrections are calculated with different numbers of valence electrons in the Zn pseudopotential. We find that the Zn(20+) pseudopotential is essential for the adequate treatment of the exchange interaction in the self-energy. The calculated GW band gaps are 2.47 eV and 4.27 eV respectively, for the ZB and RS phases. The ZB-ZnO band gap is underestimated compared to the experimental value of 3.27 by ∼ 0.8 eV. The RS-ZnO band gap compares well with the experimental value of 4.5 eV. The underestimation for ZB-ZnO is correlated with the strong p-d hybridization. The GW band gap for ZnS is 3.57 eV, compared to the experimental value of 3.8 eV.

Compositional dependence of optical band gap and refractive index in lead and bismuth borate glasses

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

Mallur, Saisudha B.; Czarnecki, Tyler; Adhikari, Ashish

2015-08-15

Highlights: • Refractive indices increase with increasing PbO/Bi{sub 2}O{sub 3} content. • Optical band gap arises due to direct forbidden transition. • Optical band gaps decrease with increasing PbO/Bi{sub 2}O{sub 3} content. • New empirical relation between the optical band gap and the refractive index. - Abstract: We prepared a series of lead and bismuth borate glasses by varying PbO/Bi{sub 2}O{sub 3} content and studied refractive index and optical band gap as a function of glass composition. Refractive indices were measured very accurately using a Brewster’s angle set up while the optical band gaps were determined by analyzing the opticalmore » absorption edge using the Mott–Davis model. Using the Lorentz–Lorentz method and the effective medium theory, we calculated the refractive indices and then compared them with the measured values. Bismuth borate glasses show better agreement between the calculated values of the refractive index and experimental values. We used a differential method based on Mott–Davis model to obtain the type of transition and optical band gap (E{sub opt}) which in turn was compared with the value of E{sub opt} obtained using the extinction coefficient. Our analysis shows that in both lead and bismuth borate glasses, the optical band gap arises due to direct forbidden transition. With increasing PbO/Bi{sub 2}O{sub 3} content, the absorption edge shifts toward longer wavelengths and the optical band gap decreases. This behavior can be explained in terms of changes to the Pb−O/Bi−O chemical bonds with glass composition. We obtained a new empirical relation between the optical band gap and the refractive index which can be used to accurately determine the electronic oxide polarizability in lead and bismuth oxide glasses.« less

Estimation of photonic band gap in the hollow core cylindrical multilayer structure

NASA Astrophysics Data System (ADS)

Chourasia, Ritesh Kumar; Singh, Vivek

2018-04-01

The propagation characteristic of two hollow core cylindrical multilayer structures having high and low refractive index contrast of cladding regions have been studied and compared at two design wavelengths i.e. 1550 nm and 632.8 nm. With the help of transfer matrix method a relation between the incoming light wave and outgoing light wave has been developed using the boundary matching technique. In high refractive index contrast, small numbers of layers are sufficient to provide perfect band gap in both design wavelengths. The spectral position and width of band gap is highly depending on the optical path of incident light in all considered cases. For sensing application, the sensitivity of waveguide can be obtained either by monitoring the width of photonic band gap or by monitoring the spectral shift of photonic band gap. Change in the width of photonic band gap with the core refractive index is larger in high refractive index contrast of cladding materials. However, in the case of monitoring the spectral shift of band gap, the obtained sensitivity is large for low refractive index contrast of cladding materials and further it increases with increase of design wavelength.

Calculation of optical band gaps of a-Si:H thin films by ellipsometry and UV-Vis spectrophotometry

NASA Astrophysics Data System (ADS)

Qiu, Yijiao; Li, Wei; Wu, Maoyang; Fu, Junwei; Jiang, Yadong

2010-10-01

Hydrogenated amorphous silicon (a-Si:H) thin films doped with Phosphorus (P) and Nitrogen (N) were deposited by radio frequency plasma enhanced chemical vapor deposition (RF-PECVD). The optical band gaps of the thin films obtained through either changing the gas pressure (P-doped only) or adulterating nitrogen concentration (with fixed P content) were investigated by means of Ellipsometric and Ultraviolet-Visible (UV-Vis) spectroscopy, respectively. Tauc formula was used in calculating the optical band gaps of the thin films in both methods. The results show that Ellipsometry and UV-Vis spectrophotometry can be applied in the research of the optical properties of a-Si:H thin films experimentally. Both methods reflect the variation law of the optical band gaps caused by CVD process parameters, i.e., the optical band gap of the a-Si:H thin films is increased with the rise of the gas pressure or the nitrogen concentration respectively. The difference in optical band gaps of the doped a-Si:H thin films calculated by Ellipsometry or UV-Vis spectrophotometry are not so great that they both can be used to measure the optical band gaps of the thin films in practical applications.

Local band gap measurements by VEELS of thin film solar cells.

PubMed

Keller, Debora; Buecheler, Stephan; Reinhard, Patrick; Pianezzi, Fabian; Pohl, Darius; Surrey, Alexander; Rellinghaus, Bernd; Erni, Rolf; Tiwari, Ayodhya N

2014-08-01

This work presents a systematic study that evaluates the feasibility and reliability of local band gap measurements of Cu(In,Ga)Se2 thin films by valence electron energy-loss spectroscopy (VEELS). The compositional gradients across the Cu(In,Ga)Se2 layer cause variations in the band gap energy, which are experimentally determined using a monochromated scanning transmission electron microscope (STEM). The results reveal the expected band gap variation across the Cu(In,Ga)Se2 layer and therefore confirm the feasibility of local band gap measurements of Cu(In,Ga)Se2 by VEELS. The precision and accuracy of the results are discussed based on the analysis of individual error sources, which leads to the conclusion that the precision of our measurements is most limited by the acquisition reproducibility, if the signal-to-noise ratio of the spectrum is high enough. Furthermore, we simulate the impact of radiation losses on the measured band gap value and propose a thickness-dependent correction. In future work, localized band gap variations will be measured on a more localized length scale to investigate, e.g., the influence of chemical inhomogeneities and dopant accumulations at grain boundaries.

High band gap 2-6 and 3-5 tunneling junctions for silicon multijunction solar cells

NASA Technical Reports Server (NTRS)

Daud, Taher (Inventor); Kachare, Akaram H. (Inventor)

1986-01-01

A multijunction silicon solar cell of high efficiency is provided by providing a tunnel junction between the solar cell junctions to connect them in series. The tunnel junction is comprised of p+ and n+ layers of high band gap 3-5 or 2-6 semiconductor materials that match the lattice structure of silicon, such as GaP (band gap 2.24 eV) or ZnS (band gap 3.6 eV). Each of which has a perfect lattice match with silicon to avoid defects normally associated with lattice mismatch.

The electronic band structure of Ge1-x Sn x in the full composition range: indirect, direct, and inverted gaps regimes, band offsets, and the Burstein-Moss effect

NASA Astrophysics Data System (ADS)

Polak, M. P.; Scharoch, P.; Kudrawiec, R.

2017-05-01

A comprehensive and detailed study of the composition dependence of lattice constants, band gaps and band offsets has been performed for bulk Ge1-x Sn x alloy in the full composition range using state-of-the-art density functional theory methods. A spectral weight approach to band unfolding has been applied as a means of distinguishing the indirect and direct band gaps from folded supercell band structures. In this way, four characteristic regions of the band gap character have been identified for Ge1-x Sn x alloy: an indirect band gap (x  <  6.5%), a direct band gap (6.5%  <  x  <  25%) and an inverse band gap (x  >  25%) with inverse spin-orbit split-off for 45%  <  x  <  85%. In general, it has been observed that the bowing parameters of band edges (Γ and L-point in conduction band (CBΓ and CB L ), valence band (VB), and spin-orbit (SO) band) are rather large ({{b}\\text{C{{\\text{B}} Γ }}}   =  2.43  ±  0.06 eV, {{b}\\text{C{{\\text{B}}L}}}   =  0.64  ±  0.04 eV, {{b}\\text{VB}}   =  -0.59  ±  0.04 eV, and {{b}\\text{SO}}   =  -0.49  ±  0.05 eV). This indicates that Ge1-x Sn x behaves like a highly mismatched group IV alloy. The composition dependence of lattice constant shows negligible bowing (b a   =  -0.083 Å). Obtained results have been compared with available experimental data. The origin of band gap reduction and large bowing has been analyzed and conclusions have been drawn regarding the relationship between experimental and theoretical results. It is shown that due to the low DOS at the Γ-point, a significant filling of CB by electrons in the direct gap regime may easily take place. Therefore, the Burstein-Moss effect should be considered when comparing experimental data with theoretical predictions as has already been shown for other intrinsic n-type narrow gap semiconductors (e.g. InN).

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

NASA Astrophysics Data System (ADS)

Qi, Jingshan; Li, Xiao; Qian, Xiaofeng

2016-06-01

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z2 invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route to manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.

Band structures in fractal grading porous phononic crystals

NASA Astrophysics Data System (ADS)

Wang, Kai; Liu, Ying; Liang, Tianshu; Wang, Bin

2018-05-01

In this paper, a new grading porous structure is introduced based on a Sierpinski triangle routine, and wave propagation in this fractal grading porous phononic crystal is investigated. The influences of fractal hierarchy and porosity on the band structures in fractal graidng porous phononic crystals are clarified. Vibration modes of unit cell at absolute band gap edges are given to manifest formation mechanism of absolute band gaps. The results show that absolute band gaps are easy to form in fractal structures comparatively to the normal ones with the same porosity. Structures with higher fractal hierarchies benefit multiple wider absolute band gaps. This work provides useful guidance in design of fractal porous phononic crystals.

Ultrawide bandgap pentamode metamaterials with an asymmetric double-cone outside profile

NASA Astrophysics Data System (ADS)

Chu, Yangyang; Li, Yucheng; Cai, Chengxin; Liu, Guangshuan; Wang, Zhaohong; Xu, Zhuo

2018-03-01

The band-gap characteristic is an important feature of acoustic metamaterials, which has important theoretical and practical significance in acoustic devices. Pentamode metamaterials (PMs) with phonon band-gap characteristics based on an asymmetric double-cone outside profile are presented and studied in this paper. The phonon band structures of these PMs are calculated by using the finite element method. In addition to the single-mode band-gaps, the complete 3D band-gaps are also obtained by changing the outside profile of the double-cone. Moreover, by adjusting the outside profile and the diameter of the double-cone to reduce the symmetry of the structure, the complete 3D band-gap can be widened. Further parametric analysis is presented to investigate the effect of geometrical parameters on the phonon band-gap property, the numerical simulations show that the maximum relative bandwidth is expanded by 15.14 times through reducing the symmetry of the structure. This study provides a possible way for PMs to control elastic wave propagation in the field of depressing vibration and noise, acoustic filtering and acoustic cloaking.

Quasiparticle Energies and Band Gaps in Graphene Nanoribbons

NASA Astrophysics Data System (ADS)

Yang, Li; Park, Cheol-Hwan; Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G.

2007-11-01

We present calculations of the quasiparticle energies and band gaps of graphene nanoribbons (GNRs) carried out using a first-principles many-electron Green’s function approach within the GW approximation. Because of the quasi-one-dimensional nature of a GNR, electron-electron interaction effects due to the enhanced screened Coulomb interaction and confinement geometry greatly influence the quasiparticle band gap. Compared with previous tight-binding and density functional theory studies, our calculated quasiparticle band gaps show significant self-energy corrections for both armchair and zigzag GNRs, in the range of 0.5 3.0 eV for ribbons of width 2.4 0.4 nm. The quasiparticle band gaps found here suggest that use of GNRs for electronic device components in ambient conditions may be viable.

The Development of Layered Photonic Band Gap Structures Using a Micro-Transfer Molding Technique

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

Sutherland, Kevin Jerome

Over the last ten years, photonic band gap (PBG) theory and technology have become an important area of research because of the numerous possible applications ranging from high-efficiency laser diodes to optical circuitry. This research concentrates on reducing the length scale in the fabrication of layered photonic band gap structures and developing procedures to improve processing consistency. Various procedures and materials have been used in the fabrication of layered PBG structures. This research focused on an economical micro transfer molding approach to create the final PBG structure. A poly dimethylsiloxane (PDMS) rubber mold was created from a silicon substrate. Itmore » was filled with epoxy and built layer-by-layer to create a 3-D epoxy structure. This structure was infiltrated with nanoparticle titania or a titania sol-gel, then fired to remove the polymer mold, leaving a monolithic ceramic inverse of the epoxy structure. The final result was a lattice of titania rolds that resembles a face-centered tetragonal structure. The original intent of this research was to miniaturize this process to a bar size small enough to create a photonic band gap for wavelengths of visible electro-magnetic radiation. The factor limiting progress was the absence of a silicon master mold of small enough dimensions. The Iowa State Microelectronics Research Center fabricated samples with periodicities of 2.5 and 1.0 microns with the existing technology, but a sample was needed on the order of 0.3 microns or less. A 0.4 micron sample was received from Sandia National Laboratory, which was made through an electron beam lithography process, but it contained several defects. The results of the work are primarily from the 2.5 and 1.0 micron samples. Most of the work focused on changing processing variables in order to optimize the infiltration procedure for the best results. Several critical parameters were identified, ranging from the ambient conditions to the specifics of the procedure. It is believed that most critical for fabrication of high quality samples is control of the temperature of the sample during and after infiltration, and the rate and amount of time spent applying epoxy to the PDMS.« less

Influence of Annealing Temperature on the Characteristics of Nanocrystalline SnO2 Thin Films Produced by Sol-Gel and Chemical Bath Deposition for Gas Sensor Applications

NASA Astrophysics Data System (ADS)

Al-Jawad, Selma M. H.; Elttayf, Abdulhussain K.; Saber, Amel S.

Pure nanocrystalline SnO2 films were grown on a clean glass substrate by using sol-gel dip coating and chemical bath deposition (CBD) techniques for gas sensor applications. The films were annealed in air at 300∘C, 400∘C, and 500∘C for 60min. The deposited films with a thickness of approximately 300 ± 20 nm were analyzed through X-ray diffraction, scanning electron microscopy (SEM), atomic force microscopy (AFM), and optical absorption spectroscopy. Results revealed that the films produced by dip coating exhibited a tetragonal rutile structure and those produced by CBD showed a tetragonal rutile and orthorhombic structure. The crystalline sizes of the films produced by dip coating annealed at 300∘C, 400∘C, and 500∘C were 8, 14, and 22.34 nm and those for CBD films at these temperatures were 10, 15, and 22 nm, respectively. AFM and SEM results indicated that the average grain size increased as annealing temperature increased. The transmittance and absorbance spectra were then recorded at wavelengths ranging from 300nm to 1000nm. The films produced by both the methods yielded high transmission at visible regions. The optical band gap energy of dip-coated films also increased as annealing temperature increased. In particular, their optical band gap energies were 3.5, 3.75, and 3.87eV at 300∘C, 400∘C, and 500∘C, respectively. By comparison, the energy band gap of CBD-prepared films decreased as annealing temperature increased, and their corresponding band gaps were 3.95, 3.85, and 3.8eV at the specified annealing temperatures. The films were further investigated in terms of their sensing abilities for carbon monoxide (CO) gas at 50 ppm by measuring their sensitivity to this gas at different times and temperatures. Our results demonstrated that dip-coated and CBD-prepared films were highly sensitive to CO at 200∘C and 250∘C, respectively.

Effects of thermo-order-mechanical coupling on band structures in liquid crystal nematic elastomer porous phononic crystals.

PubMed

Yang, Shuai; Liu, Ying

2018-08-01

Liquid crystal nematic elastomers are one kind of smart anisotropic and viscoelastic solids simultaneously combing the properties of rubber and liquid crystals, which is thermal sensitivity. In this paper, the wave dispersion in a liquid crystal nematic elastomer porous phononic crystal subjected to an external thermal stimulus is theoretically investigated. Firstly, an energy function is proposed to determine thermo-induced deformation in NE periodic structures. Based on this function, thermo-induced band variation in liquid crystal nematic elastomer porous phononic crystals is investigated in detail. The results show that when liquid crystal elastomer changes from nematic state to isotropic state due to the variation of the temperature, the absolute band gaps at different bands are opened or closed. There exists a threshold temperature above which the absolute band gaps are opened or closed. Larger porosity benefits the opening of the absolute band gaps. The deviation of director from the structural symmetry axis is advantageous for the absolute band gap opening in nematic state whist constrains the absolute band gap opening in isotropic state. The combination effect of temperature and director orientation provides an added degree of freedom in the intelligent tuning of the absolute band gaps in phononic crystals. Copyright © 2018 Elsevier B.V. All rights reserved.

Probing optical band gaps at the nanoscale in NiFe₂O₄ and CoFe₂O₄ epitaxial films by high resolution electron energy loss spectroscopy

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

Dileep, K.; Loukya, B.; Datta, R., E-mail: ranjan@jncasr.ac.in

2014-09-14

Nanoscale optical band gap variations in epitaxial thin films of two different spinel ferrites, i.e., NiFe₂O₄ (NFO) and CoFe₂O₄ (CFO), have been investigated by spatially resolved high resolution electron energy loss spectroscopy. Experimentally, both NFO and CFO show indirect/direct band gaps around 1.52 eV/2.74 and 2.3 eV, and 1.3 eV/2.31 eV, respectively, for the ideal inverse spinel configuration with considerable standard deviation in the band gap values for CFO due to various levels of deviation from the ideal inverse spinel structure. Direct probing of the regions in both the systems with tetrahedral A site cation vacancy, which is distinct frommore » the ideal inverse spinel configuration, shows significantly smaller band gap values. The experimental results are supported by the density functional theory based modified Becke-Johnson exchange correlation potential calculated band gap values for the different cation configurations.« less

Structural and optical properties of DC magnetron sputtered ZnO films on glass substrate and their modification by Ag ions implantation

NASA Astrophysics Data System (ADS)

Ahmad, R.; Afzal, Naveed; Amjad, U.; Jabbar, S.; Hussain, T.; Hussnain, A.

2017-07-01

This work is focused on investigating the effects of deposition time and Ag ions implantation on structural and optical properties of ZnO film. The ZnO film was prepared on glass substrate by pulsed DC magnetron sputtering of pure Zn target in reactive oxygen environment for 2 h, 3 h, 4 h and 5 h respectively. X-ray diffraction results revealed polycrystalline ZnO film whose crystallinity was improved with increase of the deposition time. The morphological features indicated agglomeration of smaller grains into larger ones by increasing the deposition time. The UV-vis spectroscopy analysis depicted a small decrease in the band gap of ZnO from 3.36 eV to 3.27 eV with increase of deposition time. The Ag ions implantation in ZnO films deposited for 5 h on glass was carried out by using Pelletron Accelerator at different ions fluences ranging from 1  ×  1011 ions cm-2 to 2  ×  1012 ions cm-2. XRD patterns of Ag ions implanted ZnO did not show significant change in crystallite size by increasing ions fluence from 1  ×  1011 ions cm-2 to 5  ×  1011 ions cm-2. However, with further increase of the ions fluence, the crystallite size was decreased. The band gap of Ag ions implanted ZnO indicated anomalous variations with increase of the ions fluence.

Density-functional energy gaps of solids demystified

NASA Astrophysics Data System (ADS)

Perdew, John P.; Ruzsinszky, Adrienn

2018-06-01

The fundamental energy gap of a solid is a ground-state second energy difference. Can one find the fundamental gap from the gap in the band structure of Kohn-Sham density functional theory? An argument of Williams and von Barth (WB), 1983, suggests that one can. In fact, self-consistent band-structure calculations within the local density approximation or the generalized gradient approximation (GGA) yield the fundamental gap within the same approximation for the energy. Such a calculation with the exact density functional would yield a band gap that also underestimates the fundamental gap, because the exact Kohn-Sham potential in a solid jumps up by an additive constant when one electron is added, and the WB argument does not take this effect into account. The WB argument has been extended recently to generalized Kohn-Sham theory, the simplest way to implement meta-GGAs and hybrid functionals self-consistently, with an exchange-correlation potential that is a non-multiplication operator. Since this operator is continuous, the band gap is again the fundamental gap within the same approximation, but, because the approximations are more realistic, so is the band gap. What approximations might be even more realistic?

Direct charge carrier injection into Ga2O3 thin films using an In2O3 cathode buffer layer: their optical, electrical and surface state properties

NASA Astrophysics Data System (ADS)

Cui, W.; Zhao, X. L.; An, Y. H.; Guo, D. Y.; Qing, X. Y.; Wu, Z. P.; Li, P. G.; Li, L. H.; Cui, C.; Tang, W. H.

2017-04-01

Conductive Ga2O3 thin films with an In2O3 buffer layer have been prepared on c-plane sapphire substrates using a laser molecular beam epitaxy technique. The effects of the In2O3 buffer layer on the structure and optical, electrical and surface state properties of the Ga2O3 films have been studied. The change in conductivity of the thin films is attributed to different thicknesses of the In2O3 buffer layer, which determine the concentration of charge carriers injected into the upper Ga2O3 layer from the interface of the bilayer thin films. In addition, the increase in flat band voltage shift and capacitance values as the In2O3 buffer layer thickens are attributed to the increase in surface state density, which also contributes to the rapid shrinkage of the optical band gap of the Ga2O3. With transparency to visible light, high n-type conduction and the ability to tune the optical band gap and surface state density, we propose that Ga2O3/In2O3 bilayer thin film is an ideal n-type semiconductor for fabrication of transparent power devices, solar cell electrodes and gas sensors.

High-Throughput Design of Two-Dimensional Electron Gas Systems Based on Polar/Nonpolar Perovskite Oxide Heterostructures

PubMed Central

Yang, Kesong; Nazir, Safdar; Behtash, Maziar; Cheng, Jianli

2016-01-01

The two-dimensional electron gas (2DEG) formed at the interface between two insulating oxides such as LaAlO3 and SrTiO3 (STO) is of fundamental and practical interest because of its novel interfacial conductivity and its promising applications in next-generation nanoelectronic devices. Here we show that a group of combinatorial descriptors that characterize the polar character, lattice mismatch, band gap, and the band alignment between the perovskite-oxide-based band insulators and the STO substrate, can be introduced to realize a high-throughput (HT) design of SrTiO3-based 2DEG systems from perovskite oxide quantum database. Equipped with these combinatorial descriptors, we have carried out a HT screening of all the polar perovskite compounds, uncovering 42 compounds of potential interests. Of these, Al-, Ga-, Sc-, and Ta-based compounds can form a 2DEG with STO, while In-based compounds exhibit a strain-induced strong polarization when deposited on STO substrate. In particular, the Ta-based compounds can form 2DEG with potentially high electron mobility at (TaO2)+/(SrO)0 interface. Our approach, by defining materials descriptors solely based on the bulk materials properties, and by relying on the perovskite-oriented quantum materials repository, opens new avenues for the discovery of perovskite-oxide-based functional interface materials in a HT fashion. PMID:27708415

Structural, morphological and optical properties of pulsed laser deposited ZnSe/ZnSeO3 thin films

NASA Astrophysics Data System (ADS)

Hassan, Syed Ali; Bashir, Shazia; Zehra, Khushboo; Salman Ahmed, Qazi

2018-04-01

The effect of varying laser pulses on structural, morphological and optical behavior of Pulsed Laser Deposited (PLD) ZnSe/ZnSeO3 thin films has been investigated. The films were grown by employing Excimer laser (100 mJ, 248 nm, 18 ns, 30 Hz) at various number of laser pulses i.e. 3000, 4000, 5000 and 6000 with elevated substrate temperature of 300 °C. One film was grown at Room Temperature (RT) by employing 3000 number of laser pulses. In order to investigate the structural analysis of deposited films, XRD analysis was performed. It was observed that the room temperature is not favorable for the growth of crystalline film. However, elevated substrate temperature to 300°C, two phases with preferred orientation of ZnSeO3 (2 1 2) and ZnSe (3 3 1) were identified. AFM and SEM analysis were performed to explore the surface morphology of grown films. Morphological analysis also confirmed the non-uniform film growth at room temperature. At elevated substrate temperature (300 °C), the growth of dendritic rods and cubical crystalline structures are observed for lower number of laser pulses i.e. 3000 and 4000 respectively. With increased number of pulses i.e. 5000 and 6000, the films surface morphology becomes smooth which is confirmed by measurement of surface RMS roughness. Number of grains, skewness, kurtosis and other parameters have been evaluated by statistical analysis. In order to investigate the thickness, and optical properties of deposited films, ellipsometery and UV–Vis spectroscopy techniques were employed. The estimated band gap energy is 2.67 eV for the film grown at RT, whereas band gap values varies from 2.80 eV to 3.01 eV for the films grown at 300 °C with increasing number of laser pulses.

Optical Properties of ZnCdS:I Orange and ZnSTe:I White Thin Film Phosphor for High Ra White LED

NASA Astrophysics Data System (ADS)

Fujii, Satoshi; Tasaki, Norio; Shinomura, Naohiko; Kurai, Satoshi; Yamada, Yoichi; Taguchi, Tsunemasa

In order to develop visible thin film phosphors, we have for the first time prepared ZnCdS and ZnSTe doped with Iodine (I) using low-pressure MOCVD method. ZnCdS:I, of which Cd composition was calibrated to match the lattice constant to that of substrate and the band gap to absorption peak, showed a orange broad emission consist of yellow near band edge emission and red SA emission. Isoelectronic Te in ZnS indicates strong blue-green emissions, whilst I donor impurity in ZnS shows strong red SA emissions. A typical ZnSTe:I thin film shows two broad emission bands locating at around 500 and 680 nm, respectively, indicating Ra˜90. It was shown that high Ra thin film phosphor can be realized by single material (ZnSTe:I), and that MOCVD method is capable for controlling the thickness and doping profile to obtain uniform white emission pattern.

Study of the optical properties of CuAlS2 thin films prepared by two methods

NASA Astrophysics Data System (ADS)

Ahmad, S. M.

2017-04-01

CuAlS2 thin films were successfully deposited on glass substrates using two methods: chemical spray pyrolysis (CSP) and chemical bath deposition (CBD). It was confirmed from the X-ray diffraction (XRD) analysis that CSP films exhibited a polycrystalline nature while amorphous nature was diagnosed for CBD films. Also XRD analysis was utilized to compute grain size, strain and dislocation density. Surface morphology was characterized using scanning electron microscope and photomicroscope images. The optical absorption measurement revealed that the direct allowed electronic transition with band gaps 2.8 eV and 3.0 eV for CBD and CSP methods, respectively. The optical constants, such as extinction coefficient ( k), refractive index ( n), real and imaginary dielectric constants ( ɛ 1, ɛ 2) were discussed. The photoluminescence (PL) spectra of CuAlS2 thin films appeared as a single peak for each of them, and this is attributed to band-to-band transition.

Band Gap Optimization Design of Photonic Crystals Material

NASA Astrophysics Data System (ADS)

Yu, Y.; Yu, B.; Gao, X.

2017-12-01

The photonic crystal has a fundamental characteristic - photonic band gap, which can prevent light to spread in the crystals. This paper studies the width variation of band gaps of two-dimension square lattice photonic crystals by changing the geometrical shape of the unit cells’ inner medium column. Using the finite element method, we conduct numerical experiments on MATLAB 2012a and COMSOL 3.5. By shortening the radius in vertical axis and rotating the medium column, we design a new unit cell, with a 0.3*3.85e-7 vertical radius and a 15 degree deviation to the horizontal axis. The new cell has a gap 1.51 percent wider than the circle medium structure in TE gap and creates a 0.0124 wide TM gap. Besides, the experiment shows the first TM gap is partially overlapped by the second TE gap in gap pictures. This is helpful to format the absolute photonic band gaps and provides favorable theoretical basis for designing photonic communication material.

Macro controlling of copper oxide deposition processes and spray mode by using home-made fully computerized spray pyrolysis system

NASA Astrophysics Data System (ADS)

Essa, Mohammed Sh.; Chiad, Bahaa T.; Shafeeq, Omer Sh.

2017-09-01

Thin Films of Copper Oxide (CuO) absorption layer have been deposited using home-made Fully Computerized Spray Pyrolysis Deposition system FCSPD on glass substrates, at the nozzle to substrate distance equal to 20,35 cm, and computerized spray mode (continues spray, macro-control spray). The substrate temperature has been kept at 450 °c with the optional user can enter temperature tolerance values ± 5 °C. Also that fixed molar concentration of 0.1 M, and 2D platform speed or deposition platform speed of 4mm/s. more than 1000 instruction program code, and specific design of graphical user interface GUI to fully control the deposition process and real-time monitoring and controlling the deposition temperature at every 200 ms. The changing in the temperature has been recorded during deposition processes, in addition to all deposition parameters. The films have been characterized to evaluate the thermal distribution over the X, Y movable hot plate, the structure and optical energy gap, thermal and temperature distribution exhibited a good and uniform distribution over 20 cm2 hot plate area, X-ray diffraction (XRD) measurement revealed that the films are polycrystalline in nature and can be assigned to monoclinic CuO structure. Optical band gap varies from 1.5-1.66 eV depending on deposition parameter.

Band gap and electronic structure of MgSiN2

NASA Astrophysics Data System (ADS)

Quirk, J. B.; Râsander, M.; McGilvery, C. M.; Palgrave, R.; Moram, M. A.

2014-09-01

Density functional theory calculations and electron energy loss spectroscopy indicate that the electronic structure of ordered orthorhombic MgSiN2 is similar to that of wurtzite AlN. A band gap of 5.7 eV was calculated for both MgSiN2 (indirect) and AlN (direct) using the Heyd-Scuseria-Ernzerhof approximation. Correction with respect to the experimental room-temperature band gap of AlN indicates that the true band gap of MgSiN2 is 6.2 eV. MgSiN2 has an additional direct gap of 6.3 eV at the Γ point.

Strain-induced band-gap engineering of graphene monoxide and its effect on graphene

NASA Astrophysics Data System (ADS)

Pu, H. H.; Rhim, S. H.; Hirschmugl, C. J.; Gajdardziska-Josifovska, M.; Weinert, M.; Chen, J. H.

2013-02-01

Using first-principles calculations we demonstrate the feasibility of band-gap engineering in two-dimensional crystalline graphene monoxide (GMO), a recently reported graphene-based material with a 1:1 carbon/oxygen ratio. The band gap of GMO, which can be switched between direct and indirect, is tunable over a large range (0-1.35 eV) for accessible strains. Electron and hole transport occurs predominantly along the zigzag and armchair directions (armchair for both) when GMO is a direct- (indirect-) gap semiconductor. A band gap of ˜0.5 eV is also induced in graphene at the K' points for GMO/graphene hybrid systems.

Band gap scaling laws in group IV nanotubes.

PubMed

Wang, Chongze; Fu, Xiaonan; Guo, Yangyang; Guo, Zhengxiao; Xia, Congxin; Jia, Yu

2017-03-17

By using the first-principles calculations, the band gap properties of nanotubes formed by group IV elements have been investigated systemically. Our results reveal that for armchair nanotubes, the energy gaps at K points in the Brillouin zone decrease as 1/r scaling law with the radii (r) increasing, while they are scaled by -1/r 2  + C at Γ points, here, C is a constant. Further studies show that such scaling law of K points is independent of both the chiral vector and the type of elements. Therefore, the band gaps of nanotubes for a given radius can be determined by these scaling laws easily. Interestingly, we also predict the existence of indirect band gap for both germanium and tin nanotubes. Our new findings provide an efficient way to determine the band gaps of group IV element nanotubes by knowing the radii, as well as to facilitate the design of functional nanodevices.

Temperature effects on the band gaps of Lamb waves in a one-dimensional phononic-crystal plate (L).

PubMed

Cheng, Y; Liu, X J; Wu, D J

2011-03-01

This study investigates the temperature-tuned band gaps of Lamb waves in a one-dimensional phononic-crystal plate, which is formed by alternating strips of ferroelectric ceramic Ba(0.7)Sr(0.3)TiO(3) and epoxy. The sensitive and continuous temperature-tunability of Lamb wave band gaps is demonstrated using the analyses of the band structures and the transmission spectra. The width and position of Lamb wave band gaps shift prominently with variation of temperature in the range of 26 °C-50 °C. For example, the width of the second band gap increases from 0.066 to 0.111 MHz as the temperature is increased from 26 °C to 50 °C. The strong shift promises that the structure could be suitable for temperature-tuned multi-frequency Lamb wave filters. © 2011 Acoustical Society of America

Electrically controlled band gap and topological phase transition in two-dimensional multilayer germanane

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

Qi, Jingshan, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu; Li, Xiao; Qian, Xiaofeng, E-mail: qijingshan@jsnu.edu.cn, E-mail: feng@tamu.edu

2016-06-20

Electrically controlled band gap and topological electronic states are important for the next-generation topological quantum devices. In this letter, we study the electric field control of band gap and topological phase transitions in multilayer germanane. We find that although the monolayer and multilayer germananes are normal insulators, a vertical electric field can significantly reduce the band gap of multilayer germananes owing to the giant Stark effect. The decrease of band gap eventually leads to band inversion, transforming them into topological insulators with nontrivial Z{sub 2} invariant. The electrically controlled topological phase transition in multilayer germananes provides a potential route tomore » manipulate topologically protected edge states and design topological quantum devices. This strategy should be generally applicable to a broad range of materials, including other two-dimensional materials and ultrathin films with controlled growth.« less

Molecular beam epitaxy of quasi-freestanding transition metal disulphide monolayers on van der Waals substrates: a growth study

NASA Astrophysics Data System (ADS)

Hall, Joshua; Pielić, Borna; Murray, Clifford; Jolie, Wouter; Wekking, Tobias; Busse, Carsten; Kralj, Marko; Michely, Thomas

2018-04-01

Based on an ultra-high vacuum compatible two-step molecular beam epitaxy synthesis with elemental sulphur, we grow clean, well-oriented, and almost defect-free monolayer islands and layers of the transition metal disulphides MoS2, TaS2 and WS2. Using scanning tunneling microscopy and low energy electron diffraction we investigate systematically how to optimise the growth process, and provide insight into the growth and annealing mechanisms. A large band gap of 2.55 eV and the ability to move flakes with the scanning tunneling microscope tip both document the weak interaction of MoS2 with its substrate consisting of graphene grown on Ir(1 1 1). As the method works for the synthesis of a variety of transition metal disulphides on different substrates, we speculate that it could be of great use for providing hitherto unattainable high quality monolayers of transition metal disulphides for fundamental spectroscopic investigations.

Tin-gallium-oxide-based UV-C detectors

NASA Astrophysics Data System (ADS)

Mukhopadhyay, Partha; Toporkov, Mykyta; Schoenfeld, Winston V.

2018-02-01

The emergence of conductive gallium oxide single crystal substrates offers the potential for vertical Schottky detectors operating in the UV-C spectral region. We report here on our recent work in the development of Tin Gallium oxide (TGO) thin film metal-semiconductor-metal (MSM) and Schottky detectors using plasma-assisted molecular beam epitaxy on c plane sapphire and bulk Ga2O3 substrates. Tin alloying of gallium oxide thin films was found to systematically reduce the optical band gap of the compound, providing tunability in the UV-C spectral region. Tin concentration in the TGO epilayers was found to be highly dependent on growth conditions, and Ga flux in particular. First attempts to demonstrate vertical Schottky photodetectors using TGO epilayers on bulk n-type Ga2O3 substrates were successful. Resultant devices showed strong photoresponse to UV-C light with peak responsivities clearly red shifted in comparison to Ga2O3 homoepitaxial Schottky detectors due to TGO alloying.

Understanding band gaps of solids in generalized Kohn-Sham theory.

PubMed

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-03-14

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

Understanding band gaps of solids in generalized Kohn–Sham theory

PubMed Central

Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-01-01

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

P and n-type microcrystalline semiconductor alloy material including band gap widening elements, devices utilizing same

DOEpatents

Guha, Subhendu; Ovshinsky, Stanford R.

1988-10-04

An n-type microcrystalline semiconductor alloy material including a band gap widening element; a method of fabricating p-type microcrystalline semiconductor alloy material including a band gap widening element; and electronic and photovoltaic devices incorporating said n-type and p-type materials.

The temperature-dependency of the optical band gap of ZnO measured by electron energy-loss spectroscopy in a scanning transmission electron microscope

NASA Astrophysics Data System (ADS)

Granerød, Cecilie S.; Galeckas, Augustinas; Johansen, Klaus Magnus; Vines, Lasse; Prytz, Øystein

2018-04-01

The optical band gap of ZnO has been measured as a function of temperature using Electron Energy-Loss Spectroscopy (EELS) in a (Scanning) Transmission Electron Microscope ((S)TEM) from approximately 100 K up towards 1000 K. The band gap narrowing shows a close to linear dependency for temperatures above 250 K and is accurately described by Varshni, Bose-Einstein, Pässler and Manoogian-Woolley models. Additionally, the measured band gap is compared with both optical absorption measurements and photoluminescence data. STEM-EELS is here shown to be a viable technique to measure optical band gaps at elevated temperatures, with an available temperature range up to 1500 K and the benefit of superior spatial resolution.

Defect states at organic-inorganic interfaces: Insight from first principles calculations for pentaerythritol tetranitrate on MgO surface

NASA Astrophysics Data System (ADS)

Tsyshevsky, Roman V.; Rashkeev, Sergey N.; Kuklja, Maija M.

2015-07-01

Light-responsive organic-inorganic interfaces offer experimental opportunities that are otherwise difficult to achieve. Since laser light can be manipulated very precisely, it becomes possible to engineer selective, predictive, and highly controlled interface properties. Photochemistry of organic-inorganic energetic interfaces is a rapidly emerging research field in which energy absorption and interface stability mechanisms have yet to be established. To explore the interaction of the laser irradiation with molecular materials, we performed first principle calculations of a prototype organic-inorganic interface between a nitroester (pentaerythritol tetranitrate, PETN, C5H8N4O12) and a magnesium oxide (MgO) surface. We found that the light absorption is defined by the band alignment between interface components and interfacial charge transfer coupled with electronic states in the band gap, generated by oxide surface defects. Hence the choice of an oxide substrate and its morphology makes the optical absorption tunable and governs both the energy accumulation and energy release at the interface. The obtained results offer a possible consistent interpretation of experiments on selective laser initiation of energetic materials, which reported that the presence of metal oxide additives triggered the photoinitiation by excitation energy much lower than the band gap. We suggest that PETN photodecomposition is catalyzed by oxygen vacancies (F0 centers) at the MgO surface. Our conclusions predict ways for a complete separation of thermo- and photo-stimulated interface chemistry of molecular materials, which is imperative for highly controllable fast decomposition and was not attainable before. The methodology described here can be applied to any type of molecular material/wide band gap dielectric interfaces. It provides a solid basis for novel design and targeted improvements of organic-inorganic interfaces with desired properties that promise to enable vastly new concepts of energy storage and conversion, photocatalysis, and molecular electronics.

Electrical and band structural analyses of Ti1-x Al x O y films grown by atomic layer deposition on p-type GaAs

NASA Astrophysics Data System (ADS)

An, Youngseo; Mahata, Chandreswar; Lee, Changmin; Choi, Sungho; Byun, Young-Chul; Kang, Yu-Seon; Lee, Taeyoon; Kim, Jiyoung; Cho, Mann-Ho; Kim, Hyoungsub

2015-10-01

Amorphous Ti1-x Al x O y films in the Ti-oxide-rich regime (x  <  0.5) were deposited on p-type GaAs via atomic layer deposition with titanium isopropoxide, trimethylaluminum, and H2O precursor chemistry. The electrical properties and energy band alignments were examined for the resulting materials with their underlying substrates, and significant frequency dispersion was observed in the accumulation region of the Ti-oxide-rich Ti1-x Al x O y films. Although a further reduction in the frequency dispersion and leakage current (under gate electron injection) could be somewhat achieved through a greater addition of Al-oxide in the Ti1-x Al x O y film, the simultaneous decrease in the dielectric constant proved problematic in finding an optimal composition for application as a gate dielectric on GaAs. The spectroscopic band alignment measurements of the Ti-oxide-rich Ti1-x Al x O y films indicated that the band gaps had a rather slow increase with the addition of Al-oxide, which was primarily compensated for by an increase in the valance band offset, while a nearly-constant conduction band offset with a negative electron barrier height was maintained.

Electronic theoretical study on the influence of torsional deformation on the electronic structure and optical properties of BN-doped graphene

NASA Astrophysics Data System (ADS)

Fan, Dazhi; Liu, Guili; Wei, Lin

2018-06-01

Based on the density functional theory, the effect of torsional deformation on the electronic structure and optical properties of boron nitride (BN)-doped graphene is studied by using the first-principles calculations. The band structure calculations show that the intrinsic graphene is a semi-metallic material with zero band gap and the torsional deformation has a large effect on its band gap, opening its band gap and turning it from the semi-metal to the medium band gap semiconductor. The doping of BN in graphene makes its band gap open and becomes a medium band gap semiconductor. When it is subjected to a torsional effect, it is found to have a weak influence on its band gap. In other words, the doping of BN makes the changes of the band gap of graphene no longer sensitive to torsional deformation. Optical properties show that the doping of BN leads to a significant decrease in the light absorption coefficient and reflectivity of the graphene at the characteristic peak and that of BN-doped graphene system is also weakened by torsional deformation at the characteristic peak. In the absorption spectrum, the absorption peaks of the doping system of the torsion angle of 2-20∘ are redshifted compared with that of the BN-doped system (the torsion angle is 0∘). In the reflection spectrum, the two reflection peaks are all redshifted relative to that of the BN-doped system (the torsion angle is 0∘) and when the torsion angle exceeds 12∘, the size relationship between the two peaks is interchanged. The results of this paper are of guiding significance for the study of graphene-based nanotube devices in terms of deformation.

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics

DOE PAGES

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas; ...

2017-07-13

Tin and lead iodide perovskite semiconductors of the composition AMX 3, where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tendsmore » to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. In conclusion, the mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.« less

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics

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

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas

Tin and lead iodide perovskite semiconductors of the composition AMX 3, where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tendsmore » to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. In conclusion, the mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.« less

Theoretical study of nitride short period superlattices

NASA Astrophysics Data System (ADS)

Gorczyca, I.; Suski, T.; Christensen, N. E.; Svane, A.

2018-02-01

Discussion of band gap behavior based on first principles calculations of electronic band structures for various short period nitride superlattices is presented. Binary superlattices, as InN/GaN and GaN/AlN as well as superlattices containing alloys, as InGaN/GaN, GaN/AlGaN, and GaN/InAlN are considered. Taking into account different crystallographic directions of growth (polar, semipolar and nonpolar) and different strain conditions (free-standing and pseudomorphic) all the factors influencing the band gap engineering are analyzed. Dependence on internal strain and lattice geometry is considered, but the main attention is devoted to the influence of the internal electric field and the hybridization of well and barrier wave functions. The contributions of these two important factors to band gap behavior are illustrated and estimated quantitatively. It appears that there are two interesting ranges of layer thicknesses; in one (few atomic monolayers in barriers and wells) the influence of the wave function hybridization is dominant, whereas in the other (layers thicker than roughly five to six monolayers) dependence of electric field on the band gaps is more important. The band gap behavior in superlattices is compared with the band gap dependence on composition in the corresponding ternary and quaternary alloys. It is shown that for superlattices it is possible to exceed by far the range of band gap values, which can be realized in ternary alloys. The calculated values of the band gaps are compared with the photoluminescence emission energies, when the corresponding data are available. Finally, similarities and differences between nitride and oxide polar superlattices are pointed out by comparison of wurtzite GaN/AlN and ZnO/MgO.

Band Gap Tuning via Lattice Contraction and Octahedral Tilting in Perovskite Materials for Photovoltaics.

PubMed

Prasanna, Rohit; Gold-Parker, Aryeh; Leijtens, Tomas; Conings, Bert; Babayigit, Aslihan; Boyen, Hans-Gerd; Toney, Michael F; McGehee, Michael D

2017-08-16

Tin and lead iodide perovskite semiconductors of the composition AMX 3 , where M is a metal and X is a halide, are leading candidates for high efficiency low cost tandem photovoltaics, in part because they have band gaps that can be tuned over a wide range by compositional substitution. We experimentally identify two competing mechanisms through which the A-site cation influences the band gap of 3D metal halide perovskites. Using a smaller A-site cation can distort the perovskite lattice in two distinct ways: by tilting the MX 6 octahedra or by simply contracting the lattice isotropically. The former effect tends to raise the band gap, while the latter tends to decrease it. Lead iodide perovskites show an increase in band gap upon partial substitution of the larger formamidinium with the smaller cesium, due to octahedral tilting. Perovskites based on tin, which is slightly smaller than lead, show the opposite trend: they show no octahedral tilting upon Cs-substitution but only a contraction of the lattice, leading to progressive reduction of the band gap. We outline a strategy to systematically tune the band gap and valence and conduction band positions of metal halide perovskites through control of the cation composition. Using this strategy, we demonstrate solar cells that harvest light in the infrared up to 1040 nm, reaching a stabilized power conversion efficiency of 17.8%, showing promise for improvements of the bottom cell of all-perovskite tandem solar cells. The mechanisms of cation-based band gap tuning we describe are broadly applicable to 3D metal halide perovskites and will be useful in further development of perovskite semiconductors for optoelectronic applications.

Synthesis, characterization and ellipsometric study of ultrasonically sprayed Co3O4 films

NASA Astrophysics Data System (ADS)

Gençyılmaz, O.; Taşköprü, T.; Atay, F.; Akyüz, İ.

2015-10-01

In the present study, cobalt oxide (Co3O4) films were produced using ultrasonic spray pyrolysis technique onto the glass substrate at different temperatures (200-250-300-350 °C). The effect of substrate temperature on the structural, optical, surface and electrical properties of Co3O4 films was reported. Thickness, refractive index and extinction coefficient of the films were determined by spectroscopic ellipsometry, and X-ray diffraction analyses revealed that Co3O4 films were polycrystalline fcc structure and the substrate temperature significantly improved the crystal structure of Co3O4 films. The films deposited at 350 °C substrate temperature showed the best structural quality. Transmittance, absorbance and reflectance spectra were taken by means of UV-Vis spectrophotometer, and optical band gap values were calculated using optical method. Surface images and roughness values of the films were taken by atomic force microscopy to see the effect of deposition temperature on surface properties. The resistivity of the films slightly decreases with increase in the substrate temperature from 1.08 × 104 to 1.46 × 102 Ω cm. Finally, ultrasonic spray pyrolysis technique allowed production of Co3O4 films, which are alternative metal oxide film for technological applications, at low substrate temperature.

Direct observation of mode-specific phonon-band gap coupling in methylammonium lead halide perovskites.

PubMed

Kim, Heejae; Hunger, Johannes; Cánovas, Enrique; Karakus, Melike; Mics, Zoltán; Grechko, Maksim; Turchinovich, Dmitry; Parekh, Sapun H; Bonn, Mischa

2017-09-25

Methylammonium lead iodide perovskite is an outstanding semiconductor for photovoltaics. One of its intriguing peculiarities is that the band gap of this perovskite increases with increasing lattice temperature. Despite the presence of various thermally accessible phonon modes in this soft material, the understanding of how precisely these phonons affect macroscopic material properties and lead to the peculiar temperature dependence of the band gap has remained elusive. Here, we report a strong coupling of a single phonon mode at the frequency of ~ 1 THz to the optical band gap by monitoring the transient band edge absorption after ultrafast resonant THz phonon excitation. Excitation of the 1 THz phonon causes a blue shift of the band gap over the temperature range of 185 ~ 300 K. Our results uncover the mode-specific coupling between one phonon and the optical properties, which contributes to the temperature dependence of the gap in the tetragonal phase.Methylammonium lead iodide perovskite, a promising material for efficient photovoltaics, shows a unique temperature dependence of its optical properties. Kim et al. quantify the coupling between the optical gap and a lattice phonon at 1 THz, which favorably contributes to the thermal variation of the gap.

First principles investigation of GaNbO{sub 4} as a photocatalytic material

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

Sharma, Neelam, E-mail: sneelam@issc.unipune.ac.in; Verma, Mukta; Shah, Vaishali

We have performed first principles density functional total energy calculations on pure and doped GaNbO{sub 4} to investigate its applicability as a photo catalyst. Pure GaNbO{sub 4} is an indirect, wide band gap semiconductor similar to the widely investigated TiO{sub 2} which is known to be a photo catalyst in UV light [K. Yang et. al. Chem. Mater. 20, 6528 (2008)]. S atom doping of TiO{sub 2} reduces the band gap [F. Tian et. al. J. Phys. Chem. B 110, 17866 (2006)], and increases its efficiency in the visible light range. It has been experimentally reported that S doping ofmore » GaNbO{sub 4} at the O site, decreases its photo catalytic efficiency. Our band structure calculations show that both pure and doped GaNbO{sub 4} have indirect band gaps and S atom doping reduces the band gap in agreement with experiments. The decrease in the band gap is due to the lowering of the conduction band minimum towards the Fermi level. An unequal reduction in the band gap was observed at the four inequivalent O sites chosen for S doping. This suggests that the photo catalytic activity varies with the dopant site.« less

Band Structure Engineering of Cs2AgBiBr6 Perovskite through Order-Disordered Transition: A First-Principle Study.

PubMed

Yang, Jingxiu; Zhang, Peng; Wei, Su-Huai

2018-01-04

Cs 2 AgBiBr 6 was proposed as one of the inorganic, stable, and nontoxic replacements of the methylammonium lead halides (CH 3 NH 3 PbI 3 , which is currently considered as one of the most promising light-harvesting material for solar cells). However, the wide indirect band gap of Cs 2 AgBiBr 6 suggests that its application in photovoltaics is limited. Using the first-principle calculation, we show that by controlling the ordering parameter at the mixed sublattice, the band gap of Cs 2 AgBiBr 6 can vary continuously from a wide indirect band gap of 1.93 eV for the fully ordered double-perovskite structure to a small pseudodirect band gap of 0.44 eV for the fully random alloy. Therefore, one can achieve better light absorption simply by controlling the growth temperature and thus the ordering parameters and band gaps. We also show that controlled doping in Cs 2 AgBiBr 6 can change the energy difference between ordered and disordered Cs 2 AgBiBr 6 , thus providing further control of the ordering parameters and the band gaps. Our study, therefore, provides a novel approach to carry out band structure engineering in the mixed perovskites for optoelectronic applications.

Nanodopant-Induced Band Modulation in AgPbmSbTe2+m-Type Nanocomposites

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

Zhang, Yi; Ke, Xuezhi; Chen, Changfeng

2011-01-01

We elucidate the fundamental physics of nanoscale dopants in narrow band-gap thermoelectric nanocomposites XPbmYTe2+m (X=Ag,Na; Y=Sb,Bi) using first-principles calculations. Our re- sults unveil distinct band-structure modulations, most notably a sizable band-gap widening driven by nanodopant-induced lattice strain and a band split-off at the conduction band minimum caused by the spin-orbit interaction of the dopant Sb or Bi atoms. Boltzmann transport calculations demon- strate that these band modulations have significant but competing effects on high-temperature elec- tron transport behavior. These results offer insights for understanding recent experimental findings and suggest principles for optimizing thermoelectric properties of narrow band-gap semiconductors.

Band structures of TiO2 doped with N, C and B*

PubMed Central

Xu, Tian-Hua; Song, Chen-Lu; Liu, Yong; Han, Gao-Rong

2006-01-01

This study on the band structures and charge densities of nitrogen (N)-, carbon (C)- and boron (B)-doped titanium dioxide (TiO2) by first-principles simulation with the CASTEP code (Segall et al., 2002) showed that the three 2p bands of impurity atom are located above the valence-band maximum and below the Ti 3d bands, and that along with the decreasing of impurity atomic number, the fluctuations become more intensive. We cannot observe obvious band-gap narrowing in our result. Therefore, the cause of absorption in visible light might be the isolated impurity atom 2p states in band-gap rather than the band-gap narrowing. PMID:16532532

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

Kang, Xiaoyu; Shetty, Smitha; Garten, Lauren

Dielectric and piezoelectric properties for Zn 1-xMg xO (ZMO) thin films are reported as a function of MgO composition up to and including the phase separation region. Zn 1-xMg xO (0.25 ≤ x ≤ 0.5) thin films with c-axis textures were deposited by pulsed laser deposition on platinized sapphire substrates. The films were phase pure wurtzite for MgO concentrations up to 40%; above that limit, a second phase with rocksalt structure evolves with strong {100} texture. With increasing MgO concentration, the out-of-plane ( d33,f) and in-plane ( e31,f) piezoelectric coefficients increase by 360% and 290%, respectively. The increase in piezoelectricmore » coefficients is accompanied by a 35% increase in relative permittivity. Loss tangent values fall monotonically with increasing MgO concentration, reaching a minimum of 0.001 for x ≥ 0.30, at which point the band gap is reported to be 4 eV. As a result, the enhanced piezoelectric response, the large band gap, and the low dielectric loss make Zn 1-xMg xO an interesting candidate for thin film piezoelectric devices, and demonstrate that compositional phase transformations provide opportunities for property engineering.« less

Fabrication and characterization of Au/n-CdTe Schottky barrier under illumination and dark

NASA Astrophysics Data System (ADS)

Bera, Swades Ranjan; Saha, Satyajit

2018-04-01

CdTe nanoparticles have been grown by chemical reduction method using EDA as capping agent. These are used to fabricate Schottky barrier in a simple cost-effective way at room temperature. The grown nanoparticles are structurally characterized by X-ray diffraction (XRD), Transmission electron microscopy (TEM). The optical properties of nano CdTe is characterized by UV-Vis absorption spectra, PL spectra. The band gap of the CdTe nanoparticles is increased as compared to CdTe bulk form indicating there is blue shift. The increase of band gap is due to quantum confinement. Photoluminescence spectra shows peak which corresponds to emission from surface state. CdTe nanofilm is grown on ITO coated glass substrate by dipping it on toluene containing dispersed CdTe nanoparticles. Schottky barrier of Au/n-CdTe is fabricated on ITO coated glass by vacuum deposition of gold. I- V and C- V characteristics of Au/n-CdTe Schottky barrier junction have been studied under dark and light condition. It is found that these characteristics are influenced by surface or interface traps. The values of barrier height, ideality factor, donor concentration and series resistance are obtained from the reverse bias capacitance-voltage measurements.

Growth of Cu2ZnSnS4(CZTS) by Pulsed Laser Deposition for Thin film Photovoltaic Absorber Material

NASA Astrophysics Data System (ADS)

Nandur, Abhishek; White, Bruce

2014-03-01

CZTS (Cu2ZnSnS4) has become the subject of intense interest because it is an ideal candidate absorber material for thin-film solar cells with an optimal band gap (1.5 eV), high absorption coefficient (104 cm-1) and abundant elemental components. Pulsed Laser Deposition (PLD) provides excellent control over film composition since thin films are deposited under high vacuum with excellent stoichiometry transfer from the target. CZTS thin films were deposited using PLD from a stoichiometrically close CZTS target (Cu2.6Zn1.1Sn0.7S3.44). The effects of laser energy fluence and substrate temperature and post-deposition sulfur annealing on the surface morphology, composition and optical absorption have been investigated. Optimal CZTS thin films exhibited a band gap of 1.54 eV with an absorption coefficient of 4x104cm-1. A solar cell utilizing PLD grown CZTS with the structure SLG/Mo/CZTS/CdS/ZnO/ITO showed a conversion efficiency of 5.85% with Voc = 376 mV, Jsc = 38.9 mA/cm2 and Fill Factor, FF = 0.40.

A simple growth method for Nb 2O 5 films and their optical properties

DOE PAGES

Dash, J. K.; Chen, L.; Topka, Michael R.; ...

2015-04-13

A simple method for the synthesis of Nb₂O₅ films of thicknesses ranging from tens to several hundreds of nanometers on amorphous silicon dioxide or quartz substrates is presented. Nb₂O₅ films were formed by annealing the sputter deposited Nb films under an Ar flow and without oxygen plasma in a quartz tube within a furnace at 850 °C. The structural, compositional, optical, and vibrational properties were characterized by grazing incidence X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, ultraviolet visible spectroscopy, and Raman scattering. Each of the Nb₂O₅ films is polycrystalline with an orthorhombic crystal structure. We observed vibrational modes includingmore » longitudinal optical, transverse optical, and triply degenerate modes, and measured the indirect optical band gap to be ~3.65 eV. The transmittance spectrum of the ~20 nm thick Nb₂O₅ film shows over 90% transmittance below the band gap energy in the visible wavelength range and decreases to less than 20% in the ultraviolet regime. As a result, the optical properties of the films in the UV-vis range show potential applications as UV detectors.« less

Diversity of band gap and photoluminescence properties of lead halide perovskite: A halogen-dependent spectroscopic study

NASA Astrophysics Data System (ADS)

Yu, Wenlei; Jiang, Yunfeng; Zhu, Xiuwei; Luo, Chunhua; Jiang, Kai; Chen, Liangliang; Zhang, Juan

2018-05-01

The effects of halogen substitution on microstructure, optical absorption, and phonon modes for perovskite CH3NH3PbX3 (MAPbX3, X = I/Br/Cl) films grown on FTO substrates have been investigated. The X-ray diffraction analysis exhibited good crystallization, and the strong diffraction peak assigned to (1 0 0) c for X = Br/Cl shifted toward a higher angle compared to (1 1 0) t of MAPbI3. Band-gap tuning from 1.63 to 2.37 to 3.11 eV in the I-Br-Cl series can be found due to the halogen effects. These energy values closely match the positions of peak determined from photoluminescence experiments. The remarkable absorption dip and emission peak appear for the MAPbBr3, suggesting higher crystallinity under the same preparation conditions. The wavenumbers of main IR-vibrations slightly decrease with ionic radius of the halogen increasing (in the order of Cl-Br-I), which related to the increasing polarizability. These results provide important progress towards the understanding of the halide role in the realization of high performance MAPbX3-based solar cells.

Structural and Optical Properties of Cd 1- x Se x Thin Films Deposited by Electron Beam Evaporation Technique

NASA Astrophysics Data System (ADS)

Tripathi, Ravishankar Nath; Verma, Aneet Kumar; Rahul, Vishwakarma, S. R.

2011-10-01

Cadmium selenide (CdSe) thin films deposited by means of electron beam evaporation technique under high vacuum ˜10 -5 torr on ultrasonically cleaned glass substrate. Using stating materials of various compositions of cadmium and selenium using formula Cd 1- x Se x where x is orbitory constant having value 0.20≤ x ≤0.40 here we take less value of x for the creation of anion vacancy in thin films. In present work the structural properties have been studies using XRD technique and found that starting materials and thin films both are polycrystalline in nature having hexagonal structure. Here we study the effect of composition ratio Cd/Se in starting material and its prepared thin films on its grain size and lattice parameter. From the analysis of X-Ray diffractogram found that lattice parameter and grain size both are decreases with increasing Cd/Se ratio in thin films as well as in starting material the preferred orientation in thin films along (100) plane. The surface morphology was studied using SEM characterization and found that films are smooth and homogeneous. The films have been analysed for optical band gap and absorbed a direct band gap.

Synthesis of Monolayer MoS2 by Chemical Vapor Deposition

NASA Astrophysics Data System (ADS)

Withanage, Sajeevi; Lopez, Mike; Dumas, Kenneth; Jung, Yeonwoong; Khondaker, Saiful

Finite and layer-tunable band gap of transition metal dichalcogenides (TMDs) including molybdenum disulfide (MoS2) are highlighted over the zero band gap graphene in various semiconductor applications. Weak interlayer Van der Waal bonding of bulk MoS2 allows to cleave few to single layer MoS2 using top-down methods such as mechanical and chemical exfoliation, however few micron size of these flakes limit MoS2 applications to fundamental research. Bottom-up approaches including the sulfurization of molybdenum (Mo) thin films and co-evaporation of Mo and sulfur precursors received the attention due to their potential to synthesize large area. We synthesized monolayer MoS2 on Si/SiO2 substrates by atmospheric pressure Chemical Vapor Deposition (CVD) methods using sulfur and molybdenum trioxide (MoO3) as precursors. Several growth conditions were tested including precursor amounts, growth temperature, growth time and flow rate. Raman, photoluminescence (PL) and atomic force microscopy (AFM) confirmed monolayer islands merging to create large area were observed with grain sizes up to 70 μm without using any seeds or seeding promoters. These studies provide in-depth knowledge to synthesize high quality large area MoS2 for prospective electronics applications.

Rare earth substitution on structural and optical behaviour of CdSe thin films

NASA Astrophysics Data System (ADS)

Singh, Sarika; Shrivastava, A. K.; Tapdiya, Swati

2018-05-01

A series of Sm2+,Gd2+ doped with Cadmium selenide CdSe (x =0.01) has been prepared by using Chemical bath deposition technique. Structural, Optical and Morphological studies were performed using X-ray diffraction (XRD), UV-Visible spectrometer, Raman Studies and Scanning Electron Microscopy (SEM). XRD patterns confirm the samples with Sm,Gd ions, some diffraction peaks appeared which belongs to the cubic phase structure. The values of lattice parameter (a) decreased and particle size decrease on doping. Morphology of the grown films reveals that surface are homogeneous and uniformly spread on the substrates. The elemental analysis of CdSe doped Sm and Gd (1%) different composition was analyzed by Energy Dispersive X-Rays (EDX). The optical values of some important parameters of the studied films were calculated by UVstudy are determined from transmission spectra at wavelength 200 to 900nm. Optical band gap Eg was calculated by tauc relation. Energy band gap of CdSe doped with Sm and Gd varies at 1.8eV and 1.9eV respectively. Bandgap In Raman analysis, a prominent peak shows that confirmation of nano crystalline phase. And intensity of peaks was decreasing after doping.

Reduced graphene Oxide/ZnO nanostructures based rectifier diode

NASA Astrophysics Data System (ADS)

Bhatnagar, Sameeksha; Kumar, Ravi; Sharma, Monika; Kuanr, Bijoy K.

2017-05-01

We report on the fabrication and characterization of graphene oxide and reduced graphene oxide/ZnO nanostructures on ITO-coated glass substrates for the rectification properties of a heterojunction device. The composites of GO/ZnO and rGO/ZnO were synthesized by the modified Hummers method followed by annealing process in N2 and H2 ambient atmosphere at various temperatures. The structural and compositional analysis of the composite material have been investigated using X-ray diffraction spectroscopy and Raman spectroscopy. The optical properties of the composite films were studied by UV-visible spectroscopy and the band-gap was obtained by Tauc's plot. The band-gap reduces to 2.4 eV for the composite film as compared to ZnO film 3.26 eV. The I-V characteristics of ZnO thin films and rGO/ZnO films were done for different light conditions viz dark, ambient light and UV-illumination. It has been observed that the threshold voltage decreases when the sample was placed in UV-illumination. A direct variation in photo-response is revealed with the bias voltage as well as UV illumination. The fabricated device could be used as an Ultraviolet Photo-detector.

Crystal Structure Characterization of Thin Layer Zinc Oxide

NASA Astrophysics Data System (ADS)

Doyan, Aris; Susilawati; Azizatul Fitri, Siti; Ahzan, Sukainil

2017-05-01

In this research the characterization of the crystal structure of a thin layer of ZnO (zinc oxide) were synthesized by sol - gel method and spin coating deposited on a glass substrate. The samples were divided into three sol concentrations of 0.1, 0.3, 0.5 Molar and two deposition temperature is 350 °C, and 550 °C. UV-Vis. spectrophotometer results showed that in the spectrum of visible light (wavelength range 300-800 nm) has a transmittance value of which increases with increasing concentration and temperature deposition of zinc oxide, otherwise the value of the absorption and the band gap energy decreases with the addition of concentration and deposition temperature. The transmittances value of the highest and lowest absorption was 93.5% and 0.03 is at a concentration of 0.1 M and zinc oxide deposition temperature of 550 °C, with a value of band gap energy of 2.98 eV. The XRD results showed that the zinc oxide crystal orientation in the field of 013 with a crystal grain size 14.4472 nm. SEM results showed the surface morphology of zinc oxide such as rod-like.

In 0.35Ga 0.65P light-emitting diodes grown by gas-source MBE

NASA Astrophysics Data System (ADS)

Masselink, W. Ted; Zachau, Martin

1993-02-01

This paper describes the growth and optical characteristics of In yGa 1- yP with 0.3< y<0.5, and the LED operation of p-i-n structures in the same materials system. The InGaP is grown using gas-source molecular beam epitaxy (GSMBE). The non-lattice-matched In yGa 1- yP grown on GaAs using GSMBE has a specularly smooth surface morphology through the use of unique strained-layer superlattice (SLS) buffer. We have measured the luminescence, luminescence excitation, and Raman spectra of these undoped films and observe strong excitonic luminescence over the entire composition range investigated. The band gap derived from the luminescence excitation spectra corresponds to that of a fully relaxed InGaP film with no residual strain, which is confirmed by the Raman measurements. Light-emitting diodes with peak (300 K) emission centered at less than 590 nm have been fabricated from p-i-n junctions in In 0.35Ga 0.65P. This alloy is close to that with the largest direct band gap in the In yGa 1- y P system and has lattice mismatch from the GaAs substrate of 1%.

Many-body Effect, Carrier Mobility, and Device Performance of Hexagonal Arsenene and Antimonene

NASA Astrophysics Data System (ADS)

Wang, Yangyang; Ye, Meng; Quhe, Ruge; Huang, Pu; Lu, Jing

Monolayer (ML) arsenene and antimonene, as new members of group V-enes, have attracted great interest. Experimentally, multilayer arsenene/antimonene nanoribbons have been fabricated on an InAs/InSb substrate. ML and multilayer antimonene have been isolated by mechanical exfoliation and liquid-phase exfoliation. More importantly, they are highly stable under ambient condition. Together with their wide band gaps predicted by the HSE theory, arsenene and antimonene are very attractive for nanoscale optoelectronic and electronic devices. We investigate the many-body effect and device performance of ML hexagonal arsenene and antimonene using ab initio GW, GW plus Bethe-Salpeter equation and nonequilibrium Green's function approach. The quasi-particle and optical band gaps are calculated in ML arsenene and antimonene for the first time. Low (21/66 cm2/V .s for electron/hole) and moderate carrier mobilities (150/510 cm2/V .s for electron/hole) are obtained, for arsenene and antimonene, respectively. Quantum transport simulation reveals that the performance limits of sub-10 nm ML arsenene and antimonene FETs can satisfy both low power and high performance requirements of the ITRS target in the next decade. National Natural Science Foundation of China (No. 11274016/11474012/11674005/11274233).

A high-performance complementary inverter based on transition metal dichalcogenide field-effect transistors.

PubMed

Cho, Ah-Jin; Park, Kee Chan; Kwon, Jang-Yeon

2015-01-01

For several years, graphene has been the focus of much attention due to its peculiar characteristics, and it is now considered to be a representative 2-dimensional (2D) material. Even though many research groups have studied on the graphene, its intrinsic nature of a zero band-gap, limits its use in practical applications, particularly in logic circuits. Recently, transition metal dichalcogenides (TMDs), which are another type of 2D material, have drawn attention due to the advantage of having a sizable band-gap and a high mobility. Here, we report on the design of a complementary inverter, one of the most basic logic elements, which is based on a MoS2 n-type transistor and a WSe2 p-type transistor. The advantages provided by the complementary metal-oxide-semiconductor (CMOS) configuration and the high-performance TMD channels allow us to fabricate a TMD complementary inverter that has a high-gain of 13.7. This work demonstrates the operation of the MoS2 n-FET and WSe2 p-FET on the same substrate, and the electrical performance of the CMOS inverter, which is based on a different driving current, is also measured.

Influence of Y doping concentration on the properties of nanostructured MxZn1-xO (M=Y) thin film deposited by nebulizer spray pyrolysis technique

NASA Astrophysics Data System (ADS)

Mariappan, R.; Ponnuswamy, V.; Chandra Bose, A.; Suresh, R.; Ragavendar, M.

2014-09-01

Yttrium doped Zinc Oxide (YxZn1-xO) thin films deposited at a substrate temperature 400 °C. The effect of substrate temperature on the structural, surface morphology, compositional, optical and electrical properties of YxZn1-xO thin films was studied. X-ray diffraction studies show that all films are polycrystalline in nature with hexagonal crystal structure having highly textured (002) plane parallel to the surface of the substrate. The structural parameters, such as lattice constants (a and c), crystallite size (D), dislocation density (δ), microstrain (σ) and texture coefficient were calculated for different yttrium doping concentrations (x). High resolution scanning electron microscopy measurements reveal that the surface morphology of the films change from platelet like grains to hexagonal structure with grain size increase due to the yttrium doping. Energy dispersive spectroscopy confirms the presence of Y, Zn and O elements in the films prepared. Optical studies showed that all samples have a strong optical transmittance higher than 70% in the visible range. A slight shift of the absorption edge towards the large wavelengths was observed as the Y doping concentration increased. This result shows that the band gap is slightly decreased from 3.10 to 2.05 eV with increase of the yttrium doping concentrations (up to 7.5%) and then slightly increased. Room temperature PL measurements were done and the band-to-band emission energies of films were determined and reported. The complex impedance of the 10%Y doped ZnO film shows two distinguished semicircles and the diameter of the arcs got decreased in diameter as the temperature increases from 70 to 175 °C.

The wave attenuation mechanism of the periodic local resonant metamaterial

NASA Astrophysics Data System (ADS)

Chang, I.-Ling; Liang, Zhen-Xian; Kao, Hao-Wei; Chang, Shih-Hsiang; Yang, Chih-Ying

2018-01-01

This research discusses the wave propagation behavior and attenuation mechanism of the elastic metamaterial with locally resonant sub-structure. The dispersion relation of the single resonance system, i.e., periodic spring mass system with sub-structure, could be derived based on lattice dynamics and the band gap could be easily identified. The dynamically equivalent properties, i.e., mass and elastic property, of the single resonance system are derived and found to be frequency dependent. Negative effective properties are found in the vicinity of the local resonance. It is examined whether the band gap always coincides with the frequency range of negative effective properties. The wave attenuation mechanism and the characteristic dynamic behavior of the elastic metamaterial are also studied from the energy point of view. From the analysis, it is clarified that the coupled Bragg-resonance band gap is much wider than the narrow-banded local resonance and the corresponding effective material properties at band gap could be either positive or negative. However, the band gap is totally overlapping with the frequency range of negative effective properties for the metamaterial with band gap purely caused by local resonance. The presented analysis can be extended to other forms of elastic metamaterials involving periodic resonator structures.

The effect of substrate temperature on the microstructural, electrical and optical properties of Sn-doped indium oxide thin films

NASA Astrophysics Data System (ADS)

Raoufi, Davood; Taherniya, Atefeh

2015-06-01

In this work, Sn doping In2O3 (ITO) thin films with a thickness of 200 nm were deposited on glass substrates by electron beam evaporation (EBE) method at different substrate temperatures. The crystal structure of these films was studied by X-ray diffraction technique. The sheet resistance was measured by a four-point probe. Van der Pauw method was used to measure carrier density and mobility of ITO films. The optical transmittance spectra were recorded in the wavelength region of 300-800 nm. Scanning electron microscope (SEM) has been used for the surface morphology analysis. The prepared ITO films exhibited body-centered cubic (BCC) structure with preferred orientation of growth along the (2 2 2) crystalline plane. The grain size of the films increases by rising the substrate temperature. Transparency of the films, over the visible light region, is increased with increasing the substrate temperature. It is found that the electrical properties of ITO films are significantly affected by substrate temperature. The electrical resistivity decreases with increasing substrate temperature, whereas the carrier density and mobility are enhanced with an increase in substrate temperature. The evaluated values of energy band gap Eg for ITO films were increase from 3.84 eV to 3.91 eV with increasing the substrate temperatures from 200 °C to 500 °C. The SEM micrographs of the films revealed a homogeneous growth without perceptible cracks with particles which are well covered on the substrate.

Electronic compressibility of bilayer graphene

NASA Astrophysics Data System (ADS)

Henriksen, Erik

2011-03-01

We have recently measured the electronic compressibility of bilayer graphene, allowing exploration of the thermodynamic density of states as a function of applied electric and magnetic fields. Utilizing dual-gated field-effect devices, we can independently vary both the carrier density and the size of the tunable band gap. An oscillating voltage applied to a back gate generates corresponding signals in the top gate via electric fields lines which penetrate the graphene, thereby allowing a direct measurement of the inverse compressibility, K-1 , of the bilayer. We have mapped K-1 , which is proportional to the inverse density of states, as a function of the top and back gate voltages in zero and finite magnetic field. A sharp increase in K-1 near zero density is observed with increasing electric field strength, signaling the controlled opening of a band gap. At high magnetic fields, broad Landau level (LL) oscillations are observed, directly revealing the doubled degeneracy of the lowest LL and allowing for a determination of the disorder broadening of the levels. We compare our results to tight-binding calculations of the bilayer band structure, and to recent theoretical studies of the compressibility of bilayer graphene. Together, these clearly illustrate the unusual hyperbolic nature of the low energy band structure, reveal a sizeable electron-hole asymmetry, and suggest that many-body interactions play only a small role in bilayer-on-substrate devices. This work is a collaboration with J. P. Eisenstein of Caltech, and is supported by the NSF under Grant No. DMR-0552270 and the DOE under Grant No. DE-FG03-99ER45766.

Transport and optical properties of c-axis oriented wedge shaped GaN nanowall network grown by molecular beam epitaxy

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

Bhasker, H. P.; Dhar, S.; Thakur, Varun

2014-02-21

The transport and optical properties of wedge-shaped nanowall network of GaN grown spontaneously on cplane sapphire substrate by Plasma-Assisted Molecular Beam Epitaxy (PAMBE) show interesting behavior. The electron mobility at room temperature in these samples is found to be orders of magnitude higher than that of a continuous film. Our study reveals a strong correlation between the mobility and the band gap in these nanowall network samples. However, it is seen that when the thickness of the tips of the walls increases to an extent such that more than 70% of the film area is covered, it behaves close tomore » a flat sample. In the sample with lower surface coverage (≈40% and ≈60%), it was observed that the conductivity, mobility as well as the band gap increase with the decrease in the average tip width of the walls. Photoluminescence (PL) experiments show a strong and broad band edge emission with a large (as high as ≈ 90 meV) blue shift, compared to that of a continuous film, suggesting a confinement of carriers on the top edges of the nanowalls. The PL peak width remains wide at all temperatures suggesting the existence of a high density of tail states at the band edge, which is further supported by the photoconductivity result. The high conductivity and mobility observed in these samples is believed to be due to a “dissipation less” transport of carriers, which are localized at the top edges (edge states) of the nanowalls.« less

Optical studies of carriers’ vertical transport in the alternately-strained ZnS{sub 0.4}Se{sub 0.6}/CdSe superlattice

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

Evropeytsev, E. A., E-mail: evropeitsev@beam.ioffe.ru; Sorokin, S. V.; Gronin, S. V.

2015-03-15

We present the results of theoretical modelling and experimental optical studies of the alternatively-strained CdSe/ZnS{sub y}Se{sub 1−y} (y = 0.4) superlattice (SL) with effective band-gap E{sub g}{sup eff} ∼ 2.580 eV and a thickness of ∼300 nm, which was grown by molecular-beam epitaxy on a GaAs substrate. The thicknesses and composition of the layers of the superlattice are determined on the basis of the SL minibands parameters calculated implying both full lattice matching of the SL as a whole to a GaAs substrate and high efficiency of photoexcited carriers transport along the growth axis. Photoluminescence studies of the transport propertiesmore » of the structure (including a superlattice with one enlarged quantum well) show that the characteristic time of the diffusion of charge carriers at 300 K is shorter than the times defined by recombination processes. Such superlattices seem to be promising for the formation of a wide-gap photoactive region in a multijunction solar cell, which includes both III–V and II–VI compounds.« less

Strain engineering of atomic and electronic structures of few-monolayer-thick GaN

NASA Astrophysics Data System (ADS)

Kolobov, A. V.; Fons, P.; Saito, Y.; Tominaga, J.; Hyot, B.; André, B.

2017-07-01

Two-dimensional (2D) semiconductors possess the potential to ultimately minimize the size of devices and concomitantly drastically reduce the corresponding energy consumption. In addition, materials in their atomic-scale limit often possess properties different from their bulk counterparts paving the way to conceptually novel devices. While graphene and 2D transition-metal dichalcogenides remain the most studied materials, significant interest also exists in the fabrication of atomically thin structures from traditionally 3D semiconductors such as GaN. While in the monolayer limit GaN possesses a graphenelike structure and an indirect band gap, it was recently demonstrated that few-layer GaN acquires a Haeckelite structure in the direction of growth with an effectively direct gap. In this work, we demonstrate the possibility of strain engineering of the atomic and electronic structure of few-monolayer-thick GaN structures, which opens new avenues for their practical application in flexible nanoelectronics and nano-optoelectronics. Our simulations further suggest that due to the weak van der Waals-like interaction between a substrate and an overlayer, the use of a MoS2 substrate may be a promising route to fabricate few-monolayer Haeckelite GaN experimentally.

Resonant nature of intrinsic defect energy levels in PbTe revealed by infrared photoreflectance spectroscopy

NASA Astrophysics Data System (ADS)

Zhang, Bingpo; Cai, Chunfeng; Jin, Shuqiang; Ye, Zhenyu; Wu, Huizhen; Qi, Zhen

2014-07-01

Step-scan Fourier-transform infrared photoreflectance and modulated photoluminescence spectroscopy were used to characterize the optical transitions of the epitaxial PbTe thin film grown by molecular beam epitaxy on BaF2 (111) substrate in the vicinity of energy gap of lead telluride at 77 K. It is found that the intrinsic defect energy levels in the electronic structure are of resonant nature. The Te-vacancy energy level is located above the conduction band minimum by 29.1 meV. Another defect (VX) energy level situated below valance band maximum by 18.1 meV is also revealed. Whether it is associated with the Pb vacancy is still not clear. It might also be related to the misfit dislocations stemming from the lattice mismatch between PbTe and BaF2 substrate. The experimental results support the theory prediction (N. J. Parada and G. W. Pratt, Jr., Phys. Rev. Lett. 22, 180 (1969), N. J. Parada, Phys. Rev. B 3, 2042 (1971)) and are consistent with the reported Hall experimental results (G. Bauer, H. Burkhard, H. Heinrich, and A. Lopez-Otero, J. Appl. Phys. 47, 1721 (1976)).

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

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

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Design of phononic band gaps in functionally graded piezocomposite materials by using topology optimization

NASA Astrophysics Data System (ADS)

Vatanabe, Sandro L.; Silva, Emílio C. N.

2011-04-01

One of the properties of composite materials is the possibility of having phononic band gaps, within which sound and vibrations at certain frequencies do not propagate. These materials are called Phononic Crystals (PCs). PCs with large band gaps are of great interest for many applications, such as transducers, elastic/ acoustic filters, noise control, and vibration shields. Most of previous works concentrates on PCs made of elastic isotropic materials; however, band gaps can be enlarged by using non-isotropic materials, such as piezoelectric materials. Since the main property of PCs is the presence of band gaps, one possible way to design structures which have a desired band gap is through Topology Optimization Method (TOM). TOM is a computational technique that determines the layout of a material such that a prescribed objective is maximized. Functionally Graded Materials (FGM) are composite materials whose properties vary gradually and continuously along a specific direction within the domain of the material. One of the advantages of applying the FGM concept to TOM is that it is not necessary a discrete 0-1 result, once the material gradation is part of the solution. Therefore, the interpretation step becomes easier and the dispersion diagram obtained from the optimization is not significantly modified. In this work, the main objective is to optimize the position and width of piezocomposite materials band gaps. Finite element analysis is implemented with Bloch-Floquet theory to solve the dynamic behavior of two-dimensional functionally graded unit cells. The results demonstrate that phononic band gaps can be designed by using this methodology.

Band Gaps for Elastic Wave Propagation in a Periodic Composite Beam Structure Incorporating Microstructure and Surface Energy Effects

DOE PAGES

Zhang, G. Y.; Gao, X. -L.; Bishop, J. E.; ...

2017-11-20

Here, a new model for determining band gaps for elastic wave propagation in a periodic composite beam structure is developed using a non-classical Bernoulli–Euler beam model that incorporates the microstructure, surface energy and rotational inertia effects. The Bloch theorem and transfer matrix method for periodic structures are employed in the formulation. The new model reduces to the classical elasticity-based model when both the microstructure and surface energy effects are not considered. The band gaps predicted by the new model depend on the microstructure and surface elasticity of each constituent material, the unit cell size, the rotational inertia, and the volumemore » fraction. To quantitatively illustrate the effects of these factors, a parametric study is conducted. The numerical results reveal that the band gap predicted by the current non-classical model is always larger than that predicted by the classical model when the beam thickness is very small, but the difference is diminishing as the thickness becomes large. Also, it is found that the first frequency for producing the band gap and the band gap size decrease with the increase of the unit cell length according to both the current and classical models. In addition, it is observed that the effect of the rotational inertia is larger when the exciting frequency is higher and the unit cell length is smaller. Furthermore, it is seen that the volume fraction has a significant effect on the band gap size, and large band gaps can be obtained by tailoring the volume fraction and material parameters.« less

Electronic properties of hexagonal gallium phosphide: A DFT investigation

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

Kumar, Vipin; Shah, Esha V.; Roy, Debesh R., E-mail: drr@ashd.svnit.ac.in

2016-05-23

A detail density functional investigation is performed to develop hexagonal 2D gallium phosphide material. The geometry, band structure and density of states (total and projected) of 2D hexagonal GaP are reported in detail. It is heartening to note that the developed material is identified as an indirect band gap semiconductor. The indirect gap for this material is predicted as 1.97 eV at K-Γ, and a direct gap of 2.28 eV at K point is achieved, which is very close to the reported direct band gap for zinc blende and buckled structures of GaP.

Band gap engineering of BC2N for nanoelectronic applications

NASA Astrophysics Data System (ADS)

Lim, Wei Hong; Hamzah, Afiq; Ahmadi, Mohammad Taghi; Ismail, Razali

2017-12-01

The BC2N as an example of boron-carbon-nitride (BCN), has the analogous structure as the graphene and boron nitride. It is predicted to have controllable electronic properties. Therefore, the analytical study on the engineer-able band gap of the BC2N is carried out based on the schematic structure of BC2N. The Nearest Neighbour Tight Binding (NNTB) model is employed with the dispersion relation and the density of state (DOS) as the main band gap analysing parameter. The results show that the hopping integrals having the significant effect on the band gap, band structure and DOS of BC2N nanowire (BC2NNW) need to be taken into consideration. The presented model indicates consistent trends with the published computational results around the Dirac points with the extracted band gap of 0.12 eV. Also, it is distinguished that wide energy gap of boron nitride (BN) is successfully narrowed by this carbon doped material which assures the application of BC2N on the nanoelectronics and optoelectronics in the near future.

Growth and high rate reactive ion etching of epitaxially grown barium hexaferrite films on single crystal silicon carbide substrates

NASA Astrophysics Data System (ADS)

Chen, Zhaohui

Ferrites are an invaluable group of insulating magnetic materials used for high frequency microwave applications in such passive electronic devices as isolators, phase shifters, and circulators. Because of their high permeability, non-reciprocal electromagnetic properties, and low eddy current losses, there are no other materials that serve such a broad range of applications. Until recently, they have been widely employed in bulk form, with little success in thin film-based applications in commercial or military microwave technologies. In today's technology, emerging electronic systems, such as high frequency, high power wireless and satellite communications (GPS, Bluetooth, WLAN, commercial radar, etc) thin film materials are in high demand. It is widely recognized that as high frequency devices shift to microwave frequencies the integration of passive devices with semiconductor electronics holds significant advantages in the realization of miniaturization, broader bandwidths, higher performance, speed, power and lower production costs. Thus, the primary objective of this thesis is to explore the integration of ferrite films with wide band gap semiconductor substrates for the realization of monolithic integrated circuits (MICs). This thesis focuses on two key steps for the integration of barium hexaferrite (Ba M-type or BaM) devices on semiconductor substrates. First, the development of high crystal quality ferrite film growth via pulsed laser deposition on wide band gap silicon carbide semiconductor substrates, and second, the effective patterning of BaM films using dry etching techniques. To address part one, BaM films were deposited on 6H silicon carbide (0001) substrates by Pulsed Laser Deposition. X-ray diffraction showed strong crystallographic alignment while pole figures exhibited reflections consistent with epitaxial growth. After optimized annealing, BaM films have a perpendicular magnetic anisotropy field of 16,900 Oe, magnetization (4piMs) of 4.4 kG, and ferromagnetic resonance peak-to-peak derivative linewidth at 53 GHz of 96 Oe. This combination of properties qualifies these films for microwave device applications. This marks the first growth of a microwave ferrite on SiC substrates and offers a new approach in the design and development of mu-wave and mm-wave monolithic integrated circuits. In part two, high-rate reactive ion etching using CHF3/SF6 gas mixtures was successfully demonstrated on BaM films, resulting in high aspect profile features of less than 50 nm in lateral dimension. These demonstrations enable the future integration of ferrites into MIC devices and technologies.

Structural and optical properties of Sb65Se35-xGex thin films

NASA Astrophysics Data System (ADS)

Saleh, S. A.; Al-Hajry, A.; Ali, H. M.

2011-07-01

Sb65Se35-xGex (x=0-20 at.%) thin films, prepared by the electron beam evaporation technique on ultrasonically cleaned glass substrates at 300 K, were investigated. The amorphous structure of the thin films was confirmed by x-ray diffraction analysis. The structure was deduced from the Raman spectra measured for all germanium contents in the Sb-Se-Ge matrix. The absorption coefficient (α) of the films was determined by optical transmission measurements. The compositional dependence of the optical band gap is discussed in light of topological and chemical ordered network models.

Origin of and tuning the optical and fundamental band gaps in transparent conducting oxides: The case of M2O3(M =Al ,Ga ,In )

NASA Astrophysics Data System (ADS)

Sabino, Fernando P.; Besse, Rafael; Oliveira, Luiz Nunes; Wei, Su-Huai; Da Silva, Juarez L. F.

2015-11-01

Good transparent conducting oxides (TCOs), such as In2O3 :Sn (ITO), usually combine large optical band gaps, essential for high transparency, with relatively small fundamental band gaps due to low conduction-band minima, which favor n -type doping and enhance the electrical conductivity. It has been understood that the optical band gaps are wider than the fundamental band gaps because optical transitions between the band-edge states are forbidden. The mechanism blocking such transitions, which can play a crucial role in the designing of alternative TCOs, nonetheless remains obscure. Here, based on first-principles density functional theory calculations and symmetry analysis of three oxides, M2O3 (M =Al ,Ga ,In ), we identify the physical origin of the gap disparities. Three conditions are necessary: (1) the crystal structure must have global inversion symmetry; (2) in order to belong to the Ag or A1 g irreducible representations, the states at the conduction-band minimum must have cation and oxygen s character; (3) in order to have g parity, the oxygen p orbitals constituting the states near the valence-band maximum must be strongly coupled to the cation d orbitals. Under these conditions, optical excitations across the fundamental gap will be forbidden. The three criteria explain the trends in the M2O3 (M =Al,Ga,In) sequence, in particular, explaining why In2O3 in the bixbyite structure yields the highest figure of merit. Our study provides guidelines expected to be instrumental in the search for new TCO materials.

Band-Gap Engineering at a Semiconductor-Crystalline Oxide Interface

DOE PAGES

Jahangir-Moghadam, Mohammadreza; Ahmadi-Majlan, Kamyar; Shen, Xuan; ...

2015-02-09

The epitaxial growth of crystalline oxides on semiconductors provides a pathway to introduce new functionalities to semiconductor devices. Key to integrating the functionalities of oxides onto semiconductors is controlling the band alignment at interfaces between the two materials. Here we apply principles of band gap engineering traditionally used at heterojunctions between conventional semiconductors to control the band offset between a single crystalline oxide and a semiconductor. Reactive molecular beam epitaxy is used to realize atomically abrupt and structurally coherent interfaces between SrZr xTi 1-xO₃ and Ge, in which the band gap of the former is enhanced with Zr content x.more » We present structural and electrical characterization of SrZr xTi 1-xO₃-Ge heterojunctions and demonstrate a type-I band offset can be achieved. These results demonstrate that band gap engineering can be exploited to realize functional semiconductor crystalline oxide heterojunctions.« less

Vibrational renormalisation of the electronic band gap in hexagonal and cubic ice

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

Engel, Edgar A., E-mail: eae32@cam.ac.uk; Needs, Richard J.; Monserrat, Bartomeu

2015-12-28

Electron-phonon coupling in hexagonal and cubic water ice is studied using first-principles quantum mechanical methods. We consider 29 distinct hexagonal and cubic ice proton-orderings with up to 192 molecules in the simulation cell to account for proton-disorder. We find quantum zero-point vibrational corrections to the minimum electronic band gaps ranging from −1.5 to −1.7 eV, which leads to improved agreement between calculated and experimental band gaps. Anharmonic nuclear vibrations play a negligible role in determining the gaps. Deuterated ice has a smaller band-gap correction at zero-temperature of −1.2 to −1.4 eV. Vibrations reduce the differences between the electronic band gapsmore » of different proton-orderings from around 0.17 eV to less than 0.05 eV, so that the electronic band gaps of hexagonal and cubic ice are almost independent of the proton-ordering when quantum nuclear vibrations are taken into account. The comparatively small reduction in the band gap over the temperature range 0 − 240 K of around 0.1 eV does not depend on the proton ordering, or whether the ice is protiated or deuterated, or hexagonal, or cubic. We explain this in terms of the atomistic origin of the strong electron-phonon coupling in ice.« less

Band gap tuning of amorphous Al oxides by Zr alloying

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

Canulescu, S., E-mail: stec@fotonik.dtu.dk; Schou, J.; Jones, N. C.

2016-08-29

The optical band gap and electronic structure of amorphous Al-Zr mixed oxides with Zr content ranging from 4.8 to 21.9% were determined using vacuum ultraviolet and X-ray absorption spectroscopy. The light scattering by the nano-porous structure of alumina at low wavelengths was estimated based on the Mie scattering theory. The dependence of the optical band gap of the Al-Zr mixed oxides on the Zr content deviates from linearity and decreases from 7.3 eV for pure anodized Al{sub 2}O{sub 3} to 6.45 eV for Al-Zr mixed oxides with a Zr content of 21.9%. With increasing Zr content, the conduction band minimum changes non-linearlymore » as well. Fitting of the energy band gap values resulted in a bowing parameter of ∼2 eV. The band gap bowing of the mixed oxides is assigned to the presence of the Zr d-electron states localized below the conduction band minimum of anodized Al{sub 2}O{sub 3}.« less

A note on anomalous band-gap variations in semiconductors with temperature

NASA Astrophysics Data System (ADS)

Chakraborty, P. K.; Mondal, B. N.

2018-03-01

An attempt is made to theoretically study the band-gap variations (ΔEg) in semiconductors with temperature following the works, did by Fan and O'Donnell et al. based on thermodynamic functions. The semiconductor band-gap reflects the bonding energy. An increase in temperature changes the chemical bondings, and electrons are promoted from valence band to conduction band. In their analyses, they made several approximations with respect to temperature and other fitting parameters leading to real values of band-gap variations with linear temperature dependences. In the present communication, we have tried to re-analyse the works, specially did by Fan, and derived an analytical model for ΔEg(T). Because, it was based on the second-order perturbation technique of thermodynamic functions. Our analyses are made without any approximations with respect to temperatures and other fitting parameters mentioned in the text, leading to a complex functions followed by an oscillating nature of the variations of ΔEg. In support of the existence of the oscillating energy band-gap variations with temperature in a semiconductor, possible physical explanations are provided to justify the experimental observation for various materials.

Toward tunable band gap and tunable dirac point in bilayer graphene with molecular doping.

PubMed

Yu, Woo Jong; Liao, Lei; Chae, Sang Hoon; Lee, Young Hee; Duan, Xiangfeng

2011-11-09

The bilayer graphene has attracted considerable attention for potential applications in future electronics and optoelectronics because of the feasibility to tune its band gap with a vertical displacement field to break the inversion symmetry. Surface chemical doping in bilayer graphene can induce an additional offset voltage to fundamentally affect the vertical displacement field and the band gap opening in bilayer graphene. In this study, we investigate the effect of chemical molecular doping on band gap opening in bilayer graphene devices with single or dual gate modulation. Chemical doping with benzyl viologen molecules modulates the displacement field to allow the opening of a transport band gap and the increase of the on/off ratio in the bilayer graphene transistors. Additionally, Fermi energy level in the opened gap can be rationally controlled by the amount of molecular doping to obtain bilayer graphene transistors with tunable Dirac points, which can be readily configured into functional devices, such as complementary inverters.

All-Phononic Digital Transistor on the Basis of Gap-Soliton Dynamics in an Anharmonic Oscillator Ladder.

PubMed

Malishava, Merab; Khomeriki, Ramaz

2015-09-04

A conceptual mechanism of amplification of phonons by phonons on the basis of a nonlinear band-gap transmission (supratransmission) phenomenon is presented. As an example, a system of weakly coupled chains of anharmonic oscillators is considered. One (source) chain is driven harmonically by a boundary with a frequency located in the upper band close to the band edge of the ladder system. Amplification happens when a second (gate) chain is driven by a small signal in the counterphase and with the same frequency as the first chain. If the total driving of both chains overcomes the band-gap transmission threshold, the large amplitude band-gap soliton emerges and the amplification scenario is realized. The mechanism is interpreted as the nonlinear superposition of evanescent and propagating nonlinear modes manifesting in a single or double soliton generation working in band-gap or bandpass regimes, respectively. The results could be straightforwardly generalized for all-optical or all-magnonic contexts and have all the promise of logic gate operations.

Experimental evidence of locally resonant sonic band gap in two-dimensional phononic stubbed plates

NASA Astrophysics Data System (ADS)

Oudich, Mourad; Senesi, Matteo; Assouar, M. Badreddine; Ruzenne, Massimo; Sun, Jia-Hong; Vincent, Brice; Hou, Zhilin; Wu, Tsung-Tsong

2011-10-01

We provide experimental evidence of the existence of a locally resonant sonic band gap in a two-dimensional stubbed plate. Structures consisting of a periodic arrangement of silicone rubber stubs deposited on a thin aluminium plate were fabricated and characterized. Brillouin spectroscopy analysis is carried out to determine the elastic constants of the used rubber. The constants are then implemented in an efficient finite-element model that predicts the band structure and transmission to identify the theoretical band gap. We measure a complete sonic band gap for the out-of-plane Lamb wave modes propagating in various samples fabricated with different stub heights. Frequency domain measurements of full wave field and transmission are performed through a scanning laser Doppler vibrometer. A complete band gap from 1.9 to 2.6 kHz is showed using a sample with 6-mm stub diameter, 5-mm thickness, and 1-cm structure periodicity. Very good agreement between numerical and experimental results is obtained.

All-Phononic Digital Transistor on the Basis of Gap-Soliton Dynamics in an Anharmonic Oscillator Ladder

NASA Astrophysics Data System (ADS)

Malishava, Merab; Khomeriki, Ramaz

2015-09-01

A conceptual mechanism of amplification of phonons by phonons on the basis of a nonlinear band-gap transmission (supratransmission) phenomenon is presented. As an example, a system of weakly coupled chains of anharmonic oscillators is considered. One (source) chain is driven harmonically by a boundary with a frequency located in the upper band close to the band edge of the ladder system. Amplification happens when a second (gate) chain is driven by a small signal in the counterphase and with the same frequency as the first chain. If the total driving of both chains overcomes the band-gap transmission threshold, the large amplitude band-gap soliton emerges and the amplification scenario is realized. The mechanism is interpreted as the nonlinear superposition of evanescent and propagating nonlinear modes manifesting in a single or double soliton generation working in band-gap or bandpass regimes, respectively. The results could be straightforwardly generalized for all-optical or all-magnonic contexts and have all the promise of logic gate operations.

Electronic structure in 1T-ZrS2 monolayer by strain

NASA Astrophysics Data System (ADS)

Xin, Qianqian; Zhao, Xu; Ma, Xu; Wu, Ninghua; Liu, Xiaomeng; Wei, Shuyi

2017-09-01

We report electronic structure of 1T-ZrS2 monolayer with biaxial strain from -10% to 15%, basing the first principles calculations. Our calculation results indicate that the band structure of ZrS2 monolayer was changed clearly. The location of conduction band minimum (CBM) and valence band maximum (VBM) changed with the variation of isotropic strain. At compressive strain, the location of CBM and VBM retains at M and Γ point, respectively. The band gap of ZrS2 monolayer decreases from 1.111 eV to 0 eV when compressive strain increases from 0% to -8%, which means that the ZrS2 monolayer turns to metal at -8% compressive strain. Under the tensile strain, the ZrS2 monolayer also retains be an indirect band gap semiconductor. The location of CBM moves from M to Γ point and the location of VBM moves along Γ-A-K-Γ direction. The band gap of ZrS2 monolayer firstly increases and then decreases and the biggest band gap is 1.577 eV at tensile strain 6%. We can see the compression strain is more effective than tensile strain in modulating band gap of 1T-ZrS2 monolayer.

Large-scale uniform ZnO tetrapods on catalyst free glass substrate by thermal evaporation method

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

Alsultany, Forat H., E-mail: foratusm@gmail.com; Hassan, Z.; Ahmed, Naser M.

2016-07-15

Highlights: • Investigate the growth of ZnO-Ts on glass substrate by thermal evaporation method. • Glass substrate without any catalyst or a seed layer. • The morphology was controlled by adjusting the temperature of the material and the substrate. • Glass substrate was placed vertically in the quartz tube. - Abstract: Here, we report for the first time the catalyst-free growth of large-scale uniform shape and size ZnO tetrapods on a glass substrate via thermal evaporation method. Three-dimensional networks of ZnO tetrapods have needle–wire junctions, an average leg length of 2.1–2.6 μm, and a diameter of 35–240 nm. The morphologymore » and structure of ZnO tetrapods were investigated by controlling the preparation temperature of each of the Zn powder and the glass substrate under O{sub 2} and Ar gases. Studies were carried out on ZnO tetrapods using X-ray diffraction, field emission scanning electron microscopy, UV–vis spectrophotometer, and a photoluminescence. The results showed that the sample grow in the hexagonal wurtzite structure with preferentially oriented along (002) direction, good crystallinity and high transmittance. The band gap value is about 3.27 eV. Photoluminescence spectrum exhibits a very sharp peak at 378 nm and a weak broad green emission.« less

Valley polarization in silicene induced by circularly-polarized resonance light

NASA Astrophysics Data System (ADS)

Cao, Jie; Qi, Fenghua

2017-06-01

In the presence of circularly-polarized resonance light, silicene develops dynamical band gaps in its quasi-energy band structure. Using numerical calculations, our results show that the gap appearing at ħω/2, where ħω is the photon energy. More importantly, we find that these gaps are non-symmetric for two inequivalent valleys. Therefore we can introduce light-controlled valley polarization in these dynamical band gaps. Different valleytronic devices can be realized using this technique.

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

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

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Atypically small temperature-dependence of the direct band gap in the metastable semiconductor copper nitride Cu 3 N

DOE PAGES

Birkett, Max; Savory, Christopher N.; Fioretti, Angela N.; ...

2017-03-06

The temperature-dependence of the direct band gap and thermal expansion in the metastable anti-ReO 3 semiconductor Cu 3N are investigated between 4.2 and 300 K by Fourier-transform infrared spectroscopy and x-ray diffraction. Complementary refractive index spectra are determined by spectroscopic ellipsometry at 300K. A direct gap of 1.68eV is associated with the absorption onset at 300K, which strengthens continuously and reaches a magnitude of 3.5 x 10 5cm -1 at 2.7eV, suggesting potential for photovoltaic applications. Notably, the direct gap redshifts by just 24meV between 4.2 and 300K, giving an atypically small band-gap temperature coefficient dE g/dT of -0.082meV/K. Additionally,more » the band structure, dielectric function, phonon dispersion, linear expansion, and heat capacity are calculated using density functional theory; remarkable similarities between the experimental and calculated refractive index spectra support the accuracy of these calculations, which indicate beneficially low hole effective masses and potential negative thermal expansion below 50K. To assess the lattice expansion contribution to the band-gap temperature-dependence, a quasiharmonic model fit to the observed lattice contraction finds a monotonically decreasing linear expansion (descending past 10 -6K -1 below 80K), while estimating the Debye temperature, lattice heat capacity, and Gruneisen parameter. Accounting for lattice and electron-phonon contributions to the observed band-gap evolution suggests average phonon energies that are qualitatively consistent with predicted maxima in the phonon density of states. Furthermore, as band-edge temperature-dependence has significant consequences for device performance, copper nitride should be well suited for applications that require a largely temperature-invariant band gap.« less

Robust indirect band gap and anisotropy of optical absorption in B-doped phosphorene.

PubMed

Wu, Zhi-Feng; Gao, Peng-Fei; Guo, Lei; Kang, Jun; Fang, Dang-Qi; Zhang, Yang; Xia, Ming-Gang; Zhang, Sheng-Li; Wen, Yu-Hua

2017-12-06

A traditional doping technique plays an important role in the band structure engineering of two-dimensional nanostructures. Since electron interaction is changed by doping, the optical and electrochemical properties could also be significantly tuned. In this study, density functional theory calculations have been employed to explore the structural stability, and electronic and optical properties of B-doped phosphorene. The results show that all B-doped phosphorenes are stable with a relatively low binding energy. Of particular interest is that these B-doped systems exhibit an indirect band gap, which is distinct from the direct one of pure phosphorene. Despite the different concentrations and configurations of B dopants, such indirect band gaps are robust. The screened hybrid density functional HSE06 predicts that the band gap of B-doped phosphorene is slightly smaller than that of pure phosphorene. Spatial charge distributions at the valence band maximum (VBM) and the conduction band minimum (CBM) are analyzed to understand the features of an indirect band gap. By comparison with pure phosphorene, B-doped phosphorenes exhibit strong anisotropy and intensity of optical absorption. Moreover, B dopants could enhance the stability of Li adsorption on phosphorene with less sacrifice of the Li diffusion rate. Our results suggest that B-doping is an effective way of tuning the band gap, enhancing the intensity of optical absorption and improving the performances of Li adsorption, which could promote potential applications in novel optical devices and lithium-ion batteries.

Nanofork for single cells adhesion measurement via ESEM-nanomanipulator system.

PubMed

Ahmad, Mohd Ridzuan; Nakajima, Masahiro; Kojima, Masaru; Kojima, Seiji; Homma, Michio; Fukuda, Toshio

2012-03-01

In this paper, single cells adhesion force was measured using a nanofork. The nanofork was used to pick up a single cell on a line array substrate inside an environmental scanning electron microscope (ESEM). The line array substrate was used to provide small gaps between the single cells and the substrate. Therefore, the nanofork could be inserted through these gaps in order to successfully pick up a single cell. Adhesion force was measured during the cell pick-up process from the deflection of the cantilever beam. The nanofork was fabricated using focused ion beam (FIB) etching process while the line array substrate was fabricated using nanoimprinting technology. As to investigate the effect of contact area on the strength of the adhesion force, two sizes of gap distance of line array substrate were used, i.e., 1 μm and 2 μm. Results showed that cells attached on the 1 μm gap line array substrate required more force to be released as compared to the cells attached on the 1 μm gap line array substrate.

Achieving omnidirectional photonic band gap in sputter deposited TiO{sub 2}/SiO{sub 2} one dimensional photonic crystal

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

Jena, S., E-mail: shuvendujena9@gmail.com; Tokas, R. B.; Sarkar, P.

2015-06-24

The multilayer structure of TiO{sub 2}/SiO{sub 2} (11 layers) as one dimensional photonic crystal (1D PC) has been designed and then fabricated by using asymmetric bipolar pulse DC magnetron sputtering technique for omnidirectional photonic band gap. The experimentally measured photonic band gap (PBG) in the visible region is well matched with the theoretically calculated band structure (ω vs. k) diagram. The experimentally measured omnidirectional reflection band of 44 nm over the incident angle range of 0°-70° is found almost matching within the theoretically calculated band.

Dipole-allowed direct band gap silicon superlattices

PubMed Central

Oh, Young Jun; Lee, In-Ho; Kim, Sunghyun; Lee, Jooyoung; Chang, Kee Joo

2015-01-01

Silicon is the most popular material used in electronic devices. However, its poor optical properties owing to its indirect band gap nature limit its usage in optoelectronic devices. Here we present the discovery of super-stable pure-silicon superlattice structures that can serve as promising materials for solar cell applications and can lead to the realization of pure Si-based optoelectronic devices. The structures are almost identical to that of bulk Si except that defective layers are intercalated in the diamond lattice. The superlattices exhibit dipole-allowed direct band gaps as well as indirect band gaps, providing ideal conditions for the investigation of a direct-to-indirect band gap transition. The fact that almost all structural portions of the superlattices originate from bulk Si warrants their stability and good lattice matching with bulk Si. Through first-principles molecular dynamics simulations, we confirmed their thermal stability and propose a possible method to synthesize the defective layer through wafer bonding. PMID:26656482

Research on the effects of geometrical and material uncertainties on the band gap of the undulated beam

NASA Astrophysics Data System (ADS)

Li, Yi; Xu, Yanlong

2017-09-01

Considering uncertain geometrical and material parameters, the lower and upper bounds of the band gap of an undulated beam with periodically arched shape are studied by the Monte Carlo Simulation (MCS) and interval analysis based on the Taylor series. Given the random variations of the overall uncertain variables, scatter plots from the MCS are used to analyze the qualitative sensitivities of the band gap respect to these uncertainties. We find that the influence of uncertainty of the geometrical parameter on the band gap of the undulated beam is stronger than that of the material parameter. And this conclusion is also proved by the interval analysis based on the Taylor series. Our methodology can give a strategy to reduce the errors between the design and practical values of the band gaps by improving the accuracy of the specially selected uncertain design variables of the periodical structures.

Manipulating sonic band gaps at will: vibrational density of states in three-dimensional acoustic metamaterial composites

NASA Astrophysics Data System (ADS)

Terao, Takamichi

2018-04-01

Vibrational properties of elastic composites containing a mass-in-mass microstructure embedded in a solid matrix are numerically studied. Using a lattice model, we investigate the vibrational density of states in three-dimensional composite structures where resonant particles are randomly dispersed. By dispersing such particles in the system, a sonic band gap appears. It is confirmed that this band gap can be introduced in a desired frequency regime by changing the parameters of resonant particles and the frequency width of this band gap can be controlled by varying the concentration of the resonant particles to be dispersed. In addition, multiple sonic band gaps can be realized using different species of resonant particles. These results enable us to suggest an alternative method to fabricate devices that can inhibit the propagation of elastic waves with specific frequencies using acoustic metamaterials.

Recent Developments in Quantum-Well Infrared Photodetectors

NASA Technical Reports Server (NTRS)

Gunapala, S. D.; Bandara, K. M. S. V.

1995-01-01

Intrinsic infrared (IR) detectors in the long wavelength range (8-20 Am) are based on an optically excited interband transition, which promotes an electron across the band gap (E(sub g)) from the valence band to the conduction band as shown. These photoelectrons can be collected efficiently, thereby producing a photocurrent in the external circuit. Since the incoming photon has to promote an electron from the valence band to the conduction band, the energy of the photon (h(sub upsilon)) must be higher than the E(sub g) of the photosensitive material. Therefore, the spectral response of the detectors can be controlled by controlling the E(sub g) of the photosensitive material. Examples for such materials are Hg(1-x), Cd(x), Te, and Pb(1-x), Sn(x), Te, in which the energy gap can be controlled by varying x. This means detection of very-long-wavelength IR radiation up to 20 microns requires small band gaps down to 62 meV. It is well known that these low band gap materials, characterized by weak bonding and low melting points, are more difficult to grow and process than large-band gap semiconductors such as GaAs. These difficulties motivate the exploration of utilizing the intersub-band transitions in multiquantum well (MQW) structures made of more refractory large-band gap semiconductors. The idea of using MQW structures to detect IR radiation can be explained by using the basic principles of quantum mechanics. The quantum well is equivalent to the well-known particle in a box problem in quantum mechanics, which can be solved by the time independent Schroudiner equation.

Sensitive detection of surface- and size-dependent direct and indirect band gap transitions in ferritin.

PubMed

Colton, J S; Erickson, S D; Smith, T J; Watt, R K

2014-04-04

Ferritin is a protein nano-cage that encapsulates minerals inside an 8 nm cavity. Previous band gap measurements on the native mineral, ferrihydrite, have reported gaps as low as 1.0 eV and as high as 2.5-3.5 eV. To resolve this discrepancy we have used optical absorption spectroscopy, a well-established technique for measuring both direct and indirect band gaps. Our studies included controls on the protein nano-cage, ferritin with the native ferrihydrite mineral, and ferritin with reconstituted ferrihydrite cores of different sizes. We report measurements of an indirect band gap for native ferritin of 2.140 ± 0.015 eV (579.7 nm), with a direct transition appearing at 3.053 ± 0.005 eV (406.1 nm). We also see evidence of a defect-related state having a binding energy of 0.220 ± 0.010 eV . Reconstituted ferrihydrite minerals of different sizes were also studied and showed band gap energies which increased with decreasing size due to quantum confinement effects. Molecules that interact with the surface of the mineral core also demonstrated a small influence following trends in ligand field theory, altering the native mineral's band gap up to 0.035 eV.

Designing Phononic Crystals with Wide and Robust Band Gaps

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

Jia, Zian; Chen, Yanyu; Yang, Haoxiang

Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

Designing Phononic Crystals with Wide and Robust Band Gaps

DOE PAGES

Jia, Zian; Chen, Yanyu; Yang, Haoxiang; ...

2018-04-16

Here, phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with widemore » and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.« less

Band gap engineering for graphene by using Na{sup +} ions

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

Sung, S. J.; Lee, P. R.; Kim, J. G.

2014-08-25

Despite the noble electronic properties of graphene, its industrial application has been hindered mainly by the absence of a stable means of producing a band gap at the Dirac point (DP). We report a new route to open a band gap (E{sub g}) at DP in a controlled way by depositing positively charged Na{sup +} ions on single layer graphene formed on 6H-SiC(0001) surface. The doping of low energy Na{sup +} ions is found to deplete the π* band of graphene above the DP, and simultaneously shift the DP downward away from Fermi energy indicating the opening of E{sub g}.more » The band gap increases with increasing Na{sup +} coverage with a maximum E{sub g}≥0.70 eV. Our core-level data, C 1s, Na 2p, and Si 2p, consistently suggest that Na{sup +} ions do not intercalate through graphene, but produce a significant charge asymmetry among the carbon atoms of graphene to cause the opening of a band gap. We thus provide a reliable way of producing and tuning the band gap of graphene by using Na{sup +} ions, which may play a vital role in utilizing graphene in future nano-electronic devices.« less

Designing Phononic Crystals with Wide and Robust Band Gaps

NASA Astrophysics Data System (ADS)

Jia, Zian; Chen, Yanyu; Yang, Haoxiang; Wang, Lifeng

2018-04-01

Phononic crystals (PnCs) engineered to manipulate and control the propagation of mechanical waves have enabled the design of a range of novel devices, such as waveguides, frequency modulators, and acoustic cloaks, for which wide and robust phononic band gaps are highly preferable. While numerous PnCs have been designed in recent decades, to the best of our knowledge, PnCs that possess simultaneous wide and robust band gaps (to randomness and deformations) have not yet been reported. Here, we demonstrate that by combining the band-gap formation mechanisms of Bragg scattering and local resonances (the latter one is dominating), PnCs with wide and robust phononic band gaps can be established. The robustness of the phononic band gaps are then discussed from two aspects: robustness to geometric randomness (manufacture defects) and robustness to deformations (mechanical stimuli). Analytical formulations further predict the optimal design parameters, and an uncertainty analysis quantifies the randomness effect of each designing parameter. Moreover, we show that the deformation robustness originates from a local resonance-dominant mechanism together with the suppression of structural instability. Importantly, the proposed PnCs require only a small number of layers of elements (three unit cells) to obtain broad, robust, and strong attenuation bands, which offer great potential in designing flexible and deformable phononic devices.

Electromodulation spectroscopy of direct optical transitions in Ge{sub 1−x}Sn{sub x} layers under hydrostatic pressure and built-in strain

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

Dybała, F.; Żelazna, K.; Maczko, H.

Unstrained Ge{sub 1−x}Sn{sub x} layers of various Sn concentration (1.5%, 3%, 6% Sn) and Ge{sub 0.97}Sn{sub 0.03} layers with built-in compressive (ε = −0.5%) and tensile (ε = 0.3%) strain are grown by molecular beam epitaxy and studied by electromodulation spectroscopy (i.e., contactless electroreflectance and photoreflectance (PR)). In order to obtain unstrained GeSn layers and layers with different built-in in-plane strains, virtual InGaAs substrates of different compositions are grown prior to the deposition of GeSn layers. For unstrained Ge{sub 1−x}Sn{sub x} layers, the pressure coefficient for the direct band gap transition is determined from PR measurements at various hydrostatic pressures to be 12.2 ± 0.2 meV/kbar, whichmore » is very close to the pressure coefficient for the direct band gap transition in Ge (12.9 meV/kbar). This suggests that the hydrostatic deformation potentials typical of Ge can be applied to describe the pressure-induced changes in the electronic band structure of Ge{sub 1−x}Sn{sub x} alloys with low Sn concentrations. The same conclusion is derived for the uniaxial deformation potential, which describes the splitting between heavy-hole (HH) and light-hole (LH) bands as well as the strain-related shift of the spin-orbit (SO) split-off band. It is observed that the HH, LH, and SO related transitions shift due to compressive and tensile strain according to the Bir-Pikus theory. The dispersions of HH, LH, and SO bands are calculated for compressive and tensile strained Ge{sub 0.97}Sn{sub 0.03} with the 8-band kp Hamiltonian including strain effects, and the mixing of HH and LH bands is discussed. In addition, the dispersion of the electronic band structure is calculated for unstrained Ge{sub 1−x}Sn{sub x} layers (3% and 6% Sn) at high hydrostatic pressure with the 8-band kp Hamiltonian, and the pressure-induced changes in the electronic band structure are discussed.« less

Monolithic phononic crystals with a surface acoustic band gap from surface phonon-polariton coupling.

PubMed

Yudistira, D; Boes, A; Djafari-Rouhani, B; Pennec, Y; Yeo, L Y; Mitchell, A; Friend, J R

2014-11-21

We theoretically and experimentally demonstrate the existence of complete surface acoustic wave band gaps in surface phonon-polariton phononic crystals, in a completely monolithic structure formed from a two-dimensional honeycomb array of hexagonal shape domain-inverted inclusions in single crystal piezoelectric Z-cut lithium niobate. The band gaps appear at a frequency of about twice the Bragg band gap at the center of the Brillouin zone, formed through phonon-polariton coupling. The structure is mechanically, electromagnetically, and topographically homogeneous, without any physical alteration of the surface, offering an ideal platform for many acoustic wave applications for photonics, phononics, and microfluidics.

Effect of point defects on the electronic density states of SnC nanosheets: First-principles calculations

NASA Astrophysics Data System (ADS)

Majidi, Soleyman; Achour, Amine; Rai, D. P.; Nayebi, Payman; Solaymani, Shahram; Beryani Nezafat, Negin; Elahi, Seyed Mohammad

In this work, we investigated the electronic and structural properties of various defects including single Sn and C vacancies, double vacancy of the Sn and C atoms, anti-sites, position exchange and the Stone-Wales (SW) defects in SnC nanosheets by using density-functional theory (DFT). We found that various vacancy defects in the SnC monolayer can change the electronic and structural properties. Our results show that the SnC is an indirect band gap compound, with the band gap of 2.10 eV. The system turns into metal for both structure of the single Sn and C vacancies. However, for the double vacancy contained Sn and C atoms, the structure remains semiconductor with the direct band gap of 0.37 eV at the G point. We also found that for anti-site defects, the structure remains semiconductor and for the exchange defect, the structure becomes indirect semiconductor with the K-G point and the band gap of 0.74 eV. Finally, the structure of SW defect remains semiconductor with the direct band gap at K point with band gap of 0.54 eV.

A Quasi-Classical Model of the Hubbard Gap in Lightly Compensated Semiconductors

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

Poklonski, N. A.; Vyrko, S. A.; Kovalev, A. I.

2016-03-15

A quasi-classical method for calculating the narrowing of the Hubbard gap between the A{sup 0} and A{sup +} acceptor bands in a hole semiconductor or the D{sup 0} and D{sup –} donor bands in an electron semiconductor is suggested. This narrowing gives rise to the phenomenon of a semiconductor transition from the insulator to metal state with an increase in doping level. The major (doping) impurity can be in one of three charge states (–1, 0, or +1), while the compensating impurity can be in states (+1) or (–1). The impurity distribution over the crystal is assumed to be randommore » and the width of Hubbard bands (levels), to be much smaller than the gap between them. It is shown that narrowing of the Hubbard gap is due to the formation of electrically neutral acceptor (donor) states of the quasicontinuous band of allowed energies for holes (electrons) from excited states. This quasicontinuous band merges with the top of the valence band (v band) for acceptors or with the bottom of the conduction band (c band) for donors. In other words, the top of the v band for a p-type semiconductor or the bottom of the c band for an n-type semiconductor is shifted into the band gap. The value of this shift is determined by the maximum radius of the Bohr orbit of the excited state of an electrically neutral major impurity atom, which is no larger than half the average distance between nearest impurity atoms. As a result of the increasing dopant concentration, the both Hubbard energy levels become shallower and the gap between them narrows. Analytical formulas are derived to describe the thermally activated hopping transition of holes (electrons) between Hubbard bands. The calculated gap narrowing with increasing doping level, which manifests itself in a reduction in the activation energy ε{sub 2} is consistent with available experimental data for lightly compensated p-Si crystals doped with boron and n-Ge crystals doped with antimony.« less

Hetero-junction photovoltaic device and method of fabricating the device

DOEpatents

Aytug, Tolga; Christen, David K; Paranthaman, Mariappan Parans; Polat, Ozgur

2014-02-10

A hetero-junction device and fabrication method in which phase-separated n-type and p-type semiconductor pillars define vertically-oriented p-n junctions extending above a substrate. Semiconductor materials are selected for the p-type and n-type pillars that are thermodynamically stable and substantially insoluble in one another. An epitaxial deposition process is employed to form the pillars on a nucleation layer and the mutual insolubility drives phase separation of the materials. During the epitaxial deposition process, the orientation is such that the nucleation layer initiates propagation of vertical columns resulting in a substantially ordered, three-dimensional structure throughout the deposited material. An oxidation state of at least a portion of one of the p-type or the n-type semiconductor materials is altered relative to the other, such that the band-gap energy of the semiconductor materials differ with respect to stoichiometric compositions and the device preferentially absorbs particular selected bands of radiation.

Effects of Gamma Irradiation on Polyvinylidene Fluoride Thin Films

NASA Astrophysics Data System (ADS)

Madivalappa, Shivaraj; Jali, V. M.

2018-02-01

Polyvinylidene fluoride thin films were synthesized by Sol-Gel method with spin rate of 3000 rpm for 30 sec on ITO glass substrates and were annealed at 170 C. The films were irradiated by Gamma radiation with different doses (10, 30, 40 and 50 kGy). XRD and FTIR spectra have been obtained to identify the presence of α / β phases. Mean crystallite size was calculated by Scherer’s equation. Different vibrational bands were identified and percentage of β phase was determined by FTIR analysis. Optical properties like band gap, refractive index, optical activation energy have been determined. Surface morphology and compositions of pristine and gamma irradiated PVDF thin films were confirmed respectively, by SEM and Energy dispersive X-ray analysis. The comparison of the structural and optical optical properties of pristine PVDF polymer film has been made with those of the Gamma irradiated films.

Effective theory of monolayer TMDC double quantum dots

NASA Astrophysics Data System (ADS)

David, Alessandro; Burkard, Guido; Kormányos, Andor

2018-07-01

Monolayer transition metal dichalcogenides (TMDCs) are promising candidates for quantum technologies, such as spin qubits in quantum dots, because they are truly two-dimensional semiconductors with a direct band gap. In this work, we analyse theoretically the behaviour of a double quantum dot (DQD) system created in the conduction band of these materials, with two electrons in the (1,1) charge configuration. Motivated by recent experimental progress, we consider several scenarios, including different spin–orbit splittings in the two dots and including the case when the valley degeneracy is lifted due to an insulating ferromagnetic substrate. Finally, we discuss in which cases it is possible to reduce the low energy subspace to the lowest Kramers pairs. We find that in this case the low energy model is formally identical to the Heisenberg exchange Hamiltonian, indicating that such Kramers pairs may serve as qubit implementations.

Tuning the band gap in hybrid tin iodide perovskite semiconductors using structural templating.

PubMed

Knutson, Jeremy L; Martin, James D; Mitzi, David B

2005-06-27

Structural distortions within the extensive family of organic/inorganic hybrid tin iodide perovskite semiconductors are correlated with their experimental exciton energies and calculated band gaps. The extent of the in- and out-of-plane angular distortion of the SnI4(2-) perovskite sheets is largely determined by the relative charge density and steric requirements of the organic cations. Variation of the in-plane Sn-I-Sn bond angle was demonstrated to have the greatest impact on the tuning of the band gap, and the equatorial Sn-I bond distances have a significant secondary influence. Extended Hückel tight-binding band calculations are employed to decipher the crystal orbital origins of the structural effects that fine-tune the band structure. The calculations suggest that it may be possible to tune the band gap by as much as 1 eV using the templating influence of the organic cation.

Electronic Structures of Free-Standing Nanowires made from Indirect Bandgap Semiconductor Gallium Phosphide

PubMed Central

Liao, Gaohua; Luo, Ning; Chen, Ke-Qiu; Xu, H. Q.

2016-01-01

We present a theoretical study of the electronic structures of freestanding nanowires made from gallium phosphide (GaP)—a III-V semiconductor with an indirect bulk bandgap. We consider [001]-oriented GaP nanowires with square and rectangular cross sections, and [111]-oriented GaP nanowires with hexagonal cross sections. Based on tight binding models, both the band structures and wave functions of the nanowires are calculated. For the [001]-oriented GaP nanowires, the bands show anti-crossing structures, while the bands of the [111]-oriented nanowires display crossing structures. Two minima are observed in the conduction bands, while the maximum of the valence bands is always at the Γ-point. Using double group theory, we analyze the symmetry properties of the lowest conduction band states and highest valence band states of GaP nanowires with different sizes and directions. The band state wave functions of the lowest conduction bands and the highest valence bands of the nanowires are evaluated by spatial probability distributions. For practical use, we fit the confinement energies of the electrons and holes in the nanowires to obtain an empirical formula. PMID:27307081

Band-Gap and Band-Edge Engineering of Multicomponent Garnet Scintillators from First Principles

NASA Astrophysics Data System (ADS)

Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; Jiang, Chao; Stanek, Christopher R.

2015-11-01

Complex doping schemes in R3 Al5 O12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimum (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu3 B5O12 where B is Al, Ga, In, As, and Sb, and R3Al5 O12 , where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. This approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.

Band-gap and band-edge engineering of multicomponent garnet scintillators from first principles

DOE PAGES

Yadav, Satyesh K.; Uberuaga, Blas P.; Nikl, Martin; ...

2015-11-24

Complex doping schemes in R 3Al 5O 12 (where R is the rare-earth element) garnet compounds have recently led to pronounced improvements in scintillator performance. Specifically, by admixing lutetium and yttrium aluminate garnets with gallium and gadolinium, the band gap is altered in a manner that facilitates the removal of deleterious electron trapping associated with cation antisite defects. Here, we expand upon this initial work to systematically investigate the effect of substitutional admixing on the energy levels of band edges. Density-functional theory and hybrid density-functional theory (HDFT) are used to survey potential admixing candidates that modify either the conduction-band minimummore » (CBM) or valence-band maximum (VBM). We consider two sets of compositions based on Lu 3B 5O 12 where B is Al, Ga, In, As, and Sb, and R 3Al 5O 12, where R is Lu, Gd, Dy, and Er. We find that admixing with various R cations does not appreciably affect the band gap or band edges. In contrast, substituting Al with cations of dissimilar ionic radii has a profound impact on the band structure. We further show that certain dopants can be used to selectively modify only the CBM or the VBM. Specifically, Ga and In decrease the band gap by lowering the CBM, while As and Sb decrease the band gap by raising the VBM, the relative change in band gap is quantitatively validated by HDFT. These results demonstrate a powerful approach to quickly screen the impact of dopants on the electronic structure of scintillator compounds, identifying those dopants which alter the band edges in very specific ways to eliminate both electron and hole traps responsible for performance limitations. Furthermore, this approach should be broadly applicable for the optimization of electronic and optical performance for a wide range of compounds by tuning the VBM and CBM.« less

Basic research challenges in crystalline silicon photovoltaics

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

Werner, J.H.

1995-08-01

Silicon is abundant, non-toxic and has an ideal band gap for photovoltaic energy conversion. Experimental world record cells of 24 % conversion efficiency with around 300 {mu}m thickness are only 4 % (absolute) efficiency points below the theoretical Auger recombination-limit of around 28 %. Compared with other photovoltaic materials, crystalline silicon has only very few disadvantages. The handicap of weak light absorbance may be mastered by clever optical designs. Single crystalline cells of only 48 {mu}m thickness showed 17.3 % efficiency even without backside reflectors. A technology of solar cells from polycrystalline Si films on foreign substrates arises at themore » horizon. However, the disadvantageous, strong activity of grain boundaries in Si could be an insurmountable hurdle for a cost-effective, terrestrial photovoltaics based on polycrystalline Si on foreign substrates. This talk discusses some basic research challenges related to a Si based photovoltaics.« less

Influence of substrate temperature and post annealing of CuGaO{sub 2} thin films on optical and structural properties

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

Bakar, Muhammad Hafiz Abu; Li, Lam Mui; Salleh, Saafie

A transparent p-type thin film CuGaO{sub 2} was deposited by using RF sputtering deposition method on plastic (PET) and glass substrate. The characteristics of the film is investigated. The thin film was deposited at temperature range from 50-250°C and the pressure inside the chamber is 1.0×10{sup −2} Torr and Argon gas was used as a working gas. The RF power is set to 100 W. The thickness of thin film is 300nm. In this experiment the transparency of the thin film is more than 70% for the visible light region. The band gap obtain is between 3.3 to 3.5 eV. Themore » details of the results will be discussed in the conference.« less

Tuning optical properties of CdTe films with nanocolumnar morphology grown using OAD for improving light absorption in thin-film solar cells

NASA Astrophysics Data System (ADS)

Daza, L. G.; Canché-Caballero, V.; Chan y Díaz, E.; Castro-Rodríguez, R.; Iribarren, A.

2017-11-01

CdTe films with transversal morphology in form of tilted nanocolumns were obtained by sublimation method using a rotating vapour source combined with the oblique angle deposition technique. The tilt angles of the nanocolumnar structures increases as the substrate inclination also increase. CdTe films exhibited cubic zinc blend lattice under compressive strain. Morphological and x-ray diffractometry analysis indicated that the nanocolumns are grains stacked in the nanocolumn preferential growth direction, except for the films with non-inclined substrate. We found an interesting dependence of band gap energy and the refractive index as functions of the microstrain distribution due to the nanocolumn tilt in the films from 0° to about 25°. These facts evidence the possibility of carried out film strain engineering for optimizing optoelectronics devices as we propose for the case of thin-film solar cells.

Understanding and improving the low optical emission of InGaAs quantum wells grown on oxidized patterned (001) silicon substrate

NASA Astrophysics Data System (ADS)

Roque, J.; Haas, B.; David, S.; Rochat, N.; Bernier, N.; Rouvière, J. L.; Salem, B.; Gergaud, P.; Moeyaert, J.; Martin, M.; Bertin, F.; Baron, T.

2018-05-01

In 0.3 Ga 0.7 As quantum wells (QW) embedded in AlGaAs barriers and grown on oxidized patterned (001) silicon substrates by metalorganic chemical vapor deposition using the aspect ratio trapping method are studied. An appropriate method combining cathodoluminescence and high resolution scanning transmission electron microscopy characterization is performed to spatially correlate the optical and structural properties of the QW. A triple period (TP) ordering along the ⟨111⟩ direction induced by the temperature decrease during the growth to favor indium incorporation and aligned along the oxidized patterns is observed in the QW. Local ordering affects the band gap and contributes to the decrease of the optical emission efficiency. Using thermal annealing, we were able to remove the TP ordering and improve the QW optical emission by two orders of magnitude.

Fabrication of 3-D Photonic Band Gap Crystals Via Colloidal Self-Assembly

NASA Technical Reports Server (NTRS)

Subramaniam, Girija; Blank, Shannon

2005-01-01

The behavior of photons in a Photonic Crystals, PCs, is like that of electrons in a semiconductor in that, it prohibits light propagation over a band of frequencies, called Photonic Band Gap, PBG. Photons cannot exist in these band gaps like the forbidden bands of electrons. Thus, PCs lend themselves as potential candidates for devices based on the gap phenomenon. The popular research on PCs stem from their ability to confine light with minimal losses. Large scale 3-D PCs with a PBG in the visible or near infra red region will make optical transistors and sharp bent optical fibers. Efforts are directed to use PCs for information processing and it is not long before we can have optical integrated circuits in the place of electronic ones.

Multicomponent Electron-Hole Superfluidity and the BCS-BEC Crossover in Double Bilayer Graphene

NASA Astrophysics Data System (ADS)

Conti, S.; Perali, A.; Peeters, F. M.; Neilson, D.

2017-12-01

Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap Eg˜80 - 120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.

The effect of Substrate temperature on physical and electrical properties of DC magnetron sputtered (Ta2O5)0.85(TiO2)0.15 films

NASA Astrophysics Data System (ADS)

Sekhar, M. Chandra; Uthanna, S.; Martins, R.; Jagadeesh Chandra, S. V.; Elangovan, E.

2012-04-01

Thin films of (Ta2O5)0.85(TiO2)0.15 were deposited on quartz and p-Si substrates by DC reactive magnetron sputtering at different substrate temperatures (Ts) in the range 303 - 873 K. The films deposited at 303 0K were in the amorphous and it transformed to crystalline at substrate temperatures >= 573 0K. The crystallite size was increased from 50 nm to 72 nm with the increase of substrate temperature. The surface morphology was significantly influenced with the substrate temperature. After deposition of the (Ta2O5)0.85(TiO2)0.15 films on Si, aluminium (Al) electrode was deposited to fabricate metal/oxide/semiconductor (MOS) capacitors with a configuration of Al/(Ta2O5)0.85(TiO2)0.15/Si. A low leakage current of 7.7 × 10-5 A/cm2 was obtained from the films deposited at 303 K. The leakage current was decreased to 9.3 × 10-8 A/cm2 with the increase of substrate temperature owing to structural changes. The conduction mechanism of the Al/(Ta2O5)0.85(TiO2)0.15/Si capacitors was analyzed and compared with mechanisms of Poole-Frenkel and Schottky emissions. The optical band gap (Eg) was decreased from 4.45 eV to 4.38 eV with the increase in substrate temperature.

The strain induced band gap modulation from narrow gap semiconductor to half-metal on Ti{sub 2}CrGe: A first principles study

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

Li, Jia, E-mail: jiali@hebut.edu.cn; Research Institute for Energy Equipment Materials, Hebei University of Technology, Tianjin 300401; Zhang, Zhidong

The Heusler alloy Ti{sub 2}CrGe is a stable L2{sub 1} phase with antiferromagnetic ordering. With band-gap energy (∼ 0.18 eV) obtained from a first-principles calculation, it belongs to the group of narrow band gap semiconductor. The band-gap energy decreases with increasing lattice compression and disappears until a strain of −5%; moreover, gap contraction only occurs in the spin-down states, leading to half-metallic character at the −5% strain. The Ti{sub 1}, Ti{sub 2}, and Cr moments all exhibit linear changes in behavior within strains of −5%– +5%. Nevertheless, the total zero moment is robust for these strains. The imaginary part ofmore » the dielectric function for both up and down spin states shows a clear onset energy, indicating a corresponding electronic gap for the two spin channels.« less

Quasiparticle band gap in the topological insulator Bi2Te3

NASA Astrophysics Data System (ADS)

Nechaev, I. A.; Chulkov, E. V.

2013-10-01

We present a theoretical study of dispersion of states that form the bulk band-gap edges in the three-dimensional topological insulator Bi2Te3. Within density functional theory, we analyze the effect of atomic positions varied within the error range of the available experimental data and approximation chosen for the exchange-correlation functional on the bulk band gap and k-space location of valence- and conduction-band extrema. For each set of the positions with different exchange-correlation functionals, we show how many-body corrections calculated within a one-shot GW approach affect the mentioned characteristics of electronic structure of Bi2Te3. We thus also illustrate to what degree the one-shot GW results are sensitive to the reference one-particle band structure in the case of bismuth telluride. We found that for this topological insulator the GW corrections enlarge the fundamental band gap and for certain atomic positions and reference band structure bring its value in close agreement with experiment.

Second-harmonic generation at angular incidence in a negative-positive index photonic band-gap structure.

PubMed

D'Aguanno, Giuseppe; Mattiucci, Nadia; Scalora, Michael; Bloemer, Mark J

2006-08-01

In the spectral region where the refractive index of the negative index material is approximately zero, at oblique incidence, the linear transmission of a finite structure composed of alternating layers of negative and positive index materials manifests the formation of a new type of band gap with exceptionally narrow band-edge resonances. In particular, for TM-polarized (transverse magnetic) incident waves, field values that can be achieved at the band edge may be much higher compared to field values achievable in standard photonic band-gap structures. We exploit the unique properties of these band-edge resonances for applications to nonlinear frequency conversion, second-harmonic generation, in particular. The simultaneous availability of high field localization and phase matching conditions may be exploited to achieve second-harmonic conversion efficiencies far better than those achievable in conventional photonic band-gap structures. Moreover, we study the role played by absorption within the negative index material, and find that the process remains efficient even for relatively high values of the absorption coefficient.

Lamb wave band gaps in a double-sided phononic plate

NASA Astrophysics Data System (ADS)

Wang, Peng; Chen, Tian-Ning; Yu, Kun-Peng; Wang, Xiao-Peng

2013-02-01

In this paper, we report on the theoretical investigation of the propagation characteristics of Lamb wave in a phononic crystal structure constituted by a square array of cylindrical stubs deposited on both sides of a thin homogeneous plate. The dispersion relations, the power transmission spectra, and the displacement fields of the eigenmodes are studied by using the finite-element method. We investigate the evolution of band gaps in the double-sided phononic plate with stub height on both sides arranged from an asymmetrical distribution to a symmetrical distribution gradually. Numerical results show that as the double stubs in a unit cell arranged more symmetrically on both sides, band width shifts, new band gaps appear, and the bands become flat due to localized resonant modes which couple with plate modes. Specially, more band gaps and flat bands can be found in the symmetrical system as a result of local resonances of the stubs which interact in a stronger way with the plate modes. Moreover, the symmetrical double-sided plate exhibits lower and smaller band gap than that of the asymmetrical plate. These propagation properties of elastic or acoustic waves in the double-sided plate can potentially be utilized to generate filters, slow the group velocity, low-frequency sound insulation, and design acoustic sensors.

Layer-dependent Band Alignment and Work Function of Few-Layer Phosphorene

PubMed Central

Cai, Yongqing; Zhang, Gang; Zhang, Yong-Wei

2014-01-01

Using first-principles calculations, we study the electronic properties of few-layer phosphorene focusing on layer-dependent behavior of band gap, work function band alignment and carrier effective mass. It is found that few-layer phosphorene shows a robust direct band gap character, and its band gap decreases with the number of layers following a power law. The work function decreases rapidly from monolayer (5.16 eV) to trilayer (4.56 eV), and then slowly upon further increasing the layer number. Compared to monolayer phosphorene, there is a drastic decrease of hole effective mass along the ridge (zigzag) direction for bilayer phosphorene, indicating a strong interlayer coupling and screening effect. Our study suggests that 1). Few-layer phosphorene with a layer-dependent band gap and a robust direct band gap character is promising for efficient solar energy harvest. 2). Few-layer phosphorene outperforms monolayer counterpart in terms of a lighter carrier effective mass, a higher carrier density and a weaker scattering due to enhanced screening. 3). The layer-dependent band edges and work functions of few-layer phosphorene allow for modification of Schottky barrier with enhanced carrier injection efficiency. It is expected that few-layer phosphorene will present abundant opportunities for a plethora of new electronic applications. PMID:25327586

Phonon-induced ultrafast band gap control in LaTiO3

NASA Astrophysics Data System (ADS)

Gu, Mingqiang; Rondinelli, James M.

We propose a route for ultrafast band gap engineering in correlated transition metal oxides by using optically driven phonons. We show that the ∖Gamma-point electron band energies can be deterministically tuned in the nonequilibrium state. Taking the Mott insulator LaTiO3 as an example, we show that such phonon-assisted processes dynamically induce an indirect-to-direct band gap transition or even a metal-to-insulator transition, depending on the electron correlation strength. We explain the origin of the dynamical band structure control and also establish its generality by examining related oxides. Lastly, we describe experimental routes to realize the band structure control with impulsive stimulated Raman scattering.