Photoelectric properties of defect chalcogenide HgGa{sub 2}X{sub 4} (x=S, Se, Te)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

We present results of ab initio study of ordered vacancy compounds of mercury. The electronic structure, charge density, optical and transport properties of the semiconductor family HgGa{sub 2}X{sub 4} (X=S, Se, Te) are calculated using the full potential linearized augmented plane wave method which is based on the density functional theory. A direct bandgap is observed in these compounds, which reduces in the order S>Se>Te. From the density of states it is observed that there is strong hybridization of Hg-d, Ga-d and X-p states. The optical properties show a red shift with increasing size and atomic no. of the chalcogenidemore » atoms. We have also reported the transport properties of mercury thiogallates for the first time. The selenide compound exhibits n-type nature whereas HgGa{sub 2}S{sub 4} and HgGa{sub 2}Te{sub 4} show p-type behavior. The power factor and ZT for the HGS increases at low temperatures, the figure of merit is highest for HgGa{sub 2}Se{sub 4} (1.17) at 19 K.« less

ZnSe(Te)-based crystals and detectors for nondestructive testing and cargo inspection

NASA Astrophysics Data System (ADS)

Seminozhenko, V. P.; Ryzhikov, V. D.; Opolonin, A. D.; Lisetska, O. K.; Galkin, S. N.; Voronkin, E. F.; Kostyukevich, S. A.

2006-08-01

Due to disadvantages of scintillator ZnSe(Te) - poor transparence to own emission (10 -1 cm -1), long decay time, low density and Z eff-this material had no practical applications in the ranges of X-ray energies about 120-140 keV. After the development of dual energy X-ray inspection scanners, CT and digital radiography situation changed on the contrary at whole. Both theory and experiments show that now it is the best material for low energy array detectors. The pilot-industrial production of ZnSe(Te) crystals is organized, their usage in CT and inspection X-rays scanners being already started. It has become possible to get tomography imaging simultaneously with automatic recognition of dangerous objects and substances, which is due to the unique parameters of ZnSe(Te). Presently several leading western companies look for possibilities to use ZnSe(Te) for medical X-ray CT. Our aim was to unveil the nature of luminescence centers and the emission mechanism in crystals of ZnSe(Te) compounds with isovalent dopants from the results of our studies of optical, spectroscopic and kinetic characteriestics of these crystals. Basing on the obtained understanding of the emission centers, we aimed at creation of a reproducible production technology of scintillators for application in inspection and medical equipment. The research described in this publication was made possible in part by INTAS Project Ref. Nr. 05-104-7519.

Superconductivity in strong spin orbital coupling compound Sb 2Se 3

DOE PAGES

Kong, P. P.; Sun, F.; Xing, L. Y.; ...

2014-10-20

Recently, A 2B 3 type strong spin orbital coupling compounds such as Bi 2Te 3, Bi 2Se 3 and Sb 2Te 3 were theoretically predicated to be topological insulators and demonstrated through experimental efforts. The counterpart compound Sb 2Se 3 on the other hand was found to be topological trivial, but theoretical studies indicated that the pressure might induce Sb 2Se 3 into a topological nontrivial state. We report on the discovery of superconductivity in Sb 2Se 3 single crystal induced via pressure. Our experiments indicated that Sb 2Se 3 became superconductive at high pressures above 10 GPa proceeded bymore » a pressure induced insulator to metal like transition at ~3 GPa which should be related to the topological quantum transition. The superconducting transition temperature (T C) increased to around 8.0 K with pressure up to 40 GPa while it keeps ambient structure. As a result, high pressure Raman revealed that new modes appeared around 10 GPa and 20 GPa, respectively, which correspond to occurrence of superconductivity and to the change of T C slop as the function of high pressure in conjunction with the evolutions of structural parameters at high pressures.« less

Magnetic behavior of Fe(Se,Te) systems: First-principles calculations

NASA Astrophysics Data System (ADS)

Shi, Hongliang; Huang, Zhong-Bing; Tse, John S.; Lin, Hai-Qing

2011-08-01

The magnetic behaviors in Fe(Se,Te) systems have been investigated systematically using density functional calculations. At the experimental lattice parameters, the ground state is found to be in the double stripe magnetic phase for FeTe but in the single stripe magnetic phase for FeSe and FeSe0.5Te0.5, and there is no preference in the different easy axes of magnetization. Substitution of Se by Te enlarges the size of the Fermi surface in FeSe0.5Te0.5, resulting in a stronger nesting effect and thus enhancing the superconductivity. It is found that the double stripe order in FeTe1-xSex changes to the single stripe order when x > 0.18. Spiral calculations on FeSe0.5Te0.5 show that the lowest energy is at the commensurate point Q→= (0.5,0.5), accompanied by additional local minima at two incommensurate points near Q→= (0.5,0.5). This observation is consistent with the experimentally observed positions of low energy magnetic excitations. Geometry optimization calculations show that the tetragonal cell relaxes to orthorhombic and monoclinic cells for FeSe and FeTe, respectively, but remains unchanged for FeSe0.5Te0.5.

Synthesis of CdSe/ZnS and CdTe/ZnS Quantum Dots: Refined Digestive Ripening

DOE PAGES

Cingarapu, Sreeram; Yang, Zhiqiang; Sorensen, Christopher M.; ...

2012-01-01

We report synthesis of CdSe and CdTe quantum dots (QDs) from the bulk CdSe and CdTe material by evaporation/co-condensation using the solvated metal atom dispersion (SMAD) technique and refined digestive ripening. The outcomes of this new process are (1) the reduction of digestive ripening time by employing ligands (trioctylphosphine oxide (TOPO) and oleylamine (OA)) as capping agent as well as digestive ripening solvent, (2) ability to tune the photoluminescence (PL) from 410 nm to 670 nm, (3) demonstrate the ability of SMAD synthesis technique for other semiconductors (CdTe), (4) direct comparison of CdSe QDs growth with CdTe QDs growth based on digestivemore » ripening times, and (5) enhanced PL quantum yield (QY) of CdSe QDs and CdTe QDs upon covering with a ZnS shell. Further, the merit of this synthesis is the use of bulk CdSe and CdTe as the starting materials, which avoids usage of toxic organometallic compounds, eliminates the hot injection procedure, and size selective precipitation processes. It also allows the possibility of scale up. These QDs were characterized by UV-vis, photoluminescence (PL), transmission electron microscopy (TEM), high-resolution transmission electron microscopy (HRTEM), X-ray photoelectron spectroscopy (XPS), and powder XRD.« less

Raman characterization of a new Te-rich binary compound: CdTe2.

PubMed

Rousset, Jean; Rzepka, Edouard; Lincot, Daniel

2009-04-02

Structural characterization by Raman spectroscopy of CdTe thin films electrodeposited in acidic conditions is considered in this work. This study focuses on the evolution of material properties as a function of the applied potential and the film thickness, demonstrating the possibility to obtain a new Te-rich compound with a II/VI ratio of 1/2 under specific bath conditions. Raman measurements carried out on etched samples first allow the elimination of the assumption of a mixture of phases CdTe + Te and tend to confirm the formation of the CdTe(2) binary compound. The signature of this phase on the Raman spectrum is the increase of the LO band intensity compared to that obtained for the CdTe. The influence of the laser power is also considered. While no effect is observed on CdTe films, the increase of the incident irradiation power leads to the decomposition of the CdTe(2) compound into two more stable phases namely CdTe and Te.

Pressure evolution of electrical transport in the 3D topological insulator (Bi,Sb)2(Te,Se)3

NASA Astrophysics Data System (ADS)

Jeffries, Jason; Butch, N. P.; Vohra, Y. K.; Weir, S. T.

2014-03-01

The group V-VI compounds--like Bi2Se3, Sb2Te3, or Bi2Te3--have been widely studied in recent years for their bulk topological properties. The high-Z members of this series form with the same crystal structure, and are therefore amenable to isostructural substitution studies. It is possible to tune the Bi-Sb and Te-Se ratios such that the material exhibits insulating behavior, thus providing an excellent platform for understanding how a topological insulator evolves with applied pressure. We report our observations of the pressure-dependent electrical transport and compare that behavior with other binary V-VI compounds under pressure. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

Optical Characterization of Bulk ZnSeTe Solid Solutions

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Feth, S.; Zhu, Shen; Lehoczky, S. L.; Wang, Ling Jun

2000-01-01

Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe, and ZnSe(1-x)Te(x)(0 less than x less than 0.4) grown by physical vapor transport. Energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. A best fit curve to the band gap versus composition x data gives a bowing parameter of 1.45. This number lies between the value of 1.23 determined previously on ZnSeTe bulk crystals and the value of 1.621 reported on ZnSeTe epilayers. Low-temperature photoluminescence (PL) spectra were measured on six samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe(1-x)Te(x) samples, 0.09 less than x less than 0.39. For x=0.09, this emission energy is about 0.2 eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x=0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted as being associated with the exciton bound to Te clusters because of the high Te content in these samples.

Theory versus experiment for a family of single-layer compounds with a similar atomic arrangement: (Tl,X )/Si(111 )√{3 }×√{3 }(X =Pb,Sn,Bi,Sb,Te,Se)

NASA Astrophysics Data System (ADS)

Matetskiy, A. V.; Kibirev, I. A.; Mihalyuk, A. N.; Eremeev, S. V.; Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Zotov, A. V.; Saranin, A. A.

2017-08-01

Two-dimensional compounds made of one monolayer of Tl and one-third monolayer of Pb, Bi, Te, or Se (but not of Sn or Sb) on Si(111) have been found to have a similar atomic arrangement which can be visualized as a √{3 }×√{3 } -periodic honeycomb network of chained Tl trimers with atoms of the second adsorbate occupying the centers of the honeycomb units. Structural and electronic properties of the compounds have been examined in detail theoretically using density functional theory (DFT) calculations and experimentally using low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and angle-resolved photoelectron spectroscopy (ARPES) observations. It has been found that though structural parameters of the compounds are very similar for all species, the only common feature of their band structure is a considerable spin-splitting of the surface-state bands, while other basic electronic properties vary greatly with a change of species. The Tl-Pb compound is strongly metallic with two metallic surface-state bands; the Tl-Bi compound is also metallic but with a single metallic band; the Tl-Te and Tl-Se compounds appear to be insulators.

Low Temperature Photoluminescence of PVT Grown ZnSe and ZnSeTe

NASA Technical Reports Server (NTRS)

Wang, Ling Jun; Su, Ching-Hua; Lehoczky, S. L.

1999-01-01

ZnSe and ZnSeTe single crystals were grown by physical vapor transport (PVT) technique horizontally and vertically. The grown ZnSe and ZnSeTe single crystals were characterized by low temperature photoluminescence at 5 to 10 K using the 3.4 eV emission of an argon laser. The intensity of the sharp near band edge defect lines at 2.799, 2.783 eV and the intrinsic free exciton line at 2.802 eV were mapped on various crystal surfaces with different orientations to the gravitational field. The results show the effects of gravity vector orientation on the defect segregation. Comparison of the photoluminescence spectra of the ZeSe crystal before and after annealing in the Zn vapor shows that the 2.783 eV line of ZnSe crystal is related to the zinc vacancy. The photoluminescence spectra of the ternary ZnSeTe crystal were characterized by a single broad band from 2.2 to 2.4 eV, with a Full Width at Half Maximum (FWHM) of about 100 meV. The temperature dependence of the peak position and intensity were determined from 7 to 150 K.

Thin-film metallic glass: an effective diffusion barrier for Se-doped AgSbTe2 thermoelectric modules

PubMed Central

Yu, Chia-Chi; Wu, Hsin-jay; Deng, Ping-Yuan; Agne, Matthias T.; Snyder, G. Jeffrey; Chu, Jinn P.

2017-01-01

The thermal stability of joints in thermoelectric (TE) modules, which are degraded during interdiffusion between the TE material and the contacting metal, needs to be addressed in order to utilize TE technology for competitive, sustainable energy applications. Herein, we deposit a 200 nm-thick Zr-based thin-film metallic glass (TFMG), which acts as an effective diffusion barrier layer with low electrical contact resistivity, on a high-zT Se-doped AgSbTe2 substrate. The reaction couples structured with TFMG/TE are annealed at 673 K for 8–360 hours and analyzed by electron microscopy. No observable IMCs (intermetallic compounds) are formed at the TFMG/TE interface, suggesting the effective inhibition of atomic diffusion that may be attributed to the grain-boundary-free structure of TFMG. The minor amount of Se acts as a tracer species, and a homogeneous Se-rich region is found nearing the TFMG/TE interface, which guarantees satisfactory bonding at the joint. The diffusion of Se, which has the smallest atomic volume of all the elements from the TE substrate, is found to follow Fick’s second law. The calculated diffusivity (D) of Se in TFMG falls in the range of D~10−20–10−23(m2/s), which is 106~107 and 1012~1013 times smaller than those of Ni [10−14–10−17(m2/s)] and Cu [10−8–10−11(m2/s)] in Bi2Te3, respectively. PMID:28327655

Nanoheterostructures with CdTe/ZnMgSeTe Quantum Dots for Single-Photon Emitters Grown by Molecular Beam Epitaxy

NASA Astrophysics Data System (ADS)

Sorokin, S. V.; Sedova, I. V.; Belyaev, K. G.; Rakhlin, M. V.; Yagovkina, M. A.; Toropov, A. A.; Ivanov, S. V.

2018-03-01

Data on the molecular beam epitaxy (MBE) technology, design, and luminescent properties of heterostructures with CdTe/Zn(Mg)(Se)Te quantum dots on InAs(001) substrates are presented. X-ray diffraction has been used to study short-period ZnTe/MgTe/MgSe superlattices used as wide-bandgap barriers in structures with CdTe/ZnTe quantum dots for the effective confinement of holes. It is shown that the design of these superlattices must take into account the replacement of Te atoms by selenium on MgSe/ZnTe and MgTe/MgSe heterointerfaces. Heterostructures with CdTe/Zn(Mg)(Se)Te quantum dots exhibit photoluminescence at temperatures up to 300 K. The spectra of microphotoluminescence at T = 10 K display a set of emission lines from separate CdTe/ZnTe quantum dots, the surface density of which is estimated at 1010 cm-2.

Optical Characterization of Bulk ZnSeTe Solid Solutions

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Feth, S.; Zhu, Shen; Lehoczky, S. L.; Wang, Ling Jun

2000-01-01

Optical characterization was performed on wafers sliced from crystals of ZnSe, ZnTe and ZnSe (sub 1-x) Te (sub x) (0 less than x less than 0.4) grown by physical vapor transport technique. The energy band gaps at room temperature were determined from optical transmission measurements on 11 wafers. The best fit to the band gap vs. composition, x, data gives a bowing parameter of 1.336 which is between the value of 1.23 determined previously on ZnSeTe bulk crystals by reflectivity and the value of 1.621 reported on epilayers by photoconductivity. Low-temperature photoluminescence (PL) spectra were measured on 6 samples. The spectra of ZnSe and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for each of the ZnSe (sub 1-x) Te (sub x) samples, 0.09 less than x less than 0.39. For x = 0.09, this emission energy is about 0.2eV lower than the band gap energy measured at low temperature. As x increases the energy discrepancy gradually decreases and reduces to almost zero at x = 0.4. The single broad PL emission spectra and the spectra measured as a function of temperature were interpreted to be associated with the exciton bound to Te clusters because of the high Te content in these samples.

Nanocrystal growth and morphology of PbTeSe-ZnSe composite thin films prepared by one-step synthesis method

NASA Astrophysics Data System (ADS)

Sato, Kazuhisa; Abe, Seishi

2016-10-01

The microstructure of polycrystalline PbTe1-xSex-ZnSe composite thin films has been studied by scanning transmission electron microscopy and electron diffraction. The films were prepared by the one-step synthesis method using simultaneous evaporation of PbTe and ZnSe. The nanocrystals of PbTe1-xSex are formed in a ZnSe matrix. Tellurium concentration can be tuned by controlling the PbTe evaporation source temperatures between 753 K and 793 K. Binary PbSe nanocrystals were formed at 753 K, while ternary PbTe1-xSex nanocrystals were formed at 793 K. The nanocrystals grow in a granular shape at the initial stage of film growth, and the morphology changes to nanowire-shape as the film grows, irrespective of the Te concentration. The ternary PbTe1-xSex nanocrystals were composed of two phases with different Te concentration; Te-rich (Se-poor) granular crystals were formed near the bottom half parts of the film and Te-poor (Se-rich) nanowires were formed at the upper half parts of the film. Columnar ZnSe crystals contain high-density {111} stacking faults due to the low stacking fault energy of ZnSe. A balance of deposition and re-evaporation on the substrate during the film growth will be responsible for the resultant nanocrystal morphology.

Study of extending carrier lifetime in ZnTe quantum dots coupled with ZnCdSe quantum well

NASA Astrophysics Data System (ADS)

Fan, W. C.; Chou, W. C.; Lee, J. D.; Lee, Ling; Phu, Nguyen Dang; Hoang, Luc Huy

2018-03-01

We demonstrated the growth of a self-assembled type-II ZnTe/ZnSe quantum dot (QD) structure coupled with a type-I Zn0.88Cd0.12Se/ZnSe quantum well (QW) on the (001) GaAs substrate by molecular beam epitaxy (MBE). As the spacer thickness is less than 2 nm, the carrier lifetime increasing from 20 ns to nearly 200 ns was successfully achieved. By utilizing the time-resolved photoluminescence (TRPL) and PL with different excitation power, we identify the PL emission from the coupled QDs consisting of two recombination mechanisms. One is the recombination between electrons in ZnSe barrier and holes confined within ZnTe QDs, and the other is between electrons confined in Zn0.88Cd0.12Se QW and holes confined within ZnTe QDs. According to the band diagram and power-dependent PL, both of the two recombinations reveal the type-II transition. In addition, the second recombination mechanism dominates the whole carrier recombination as the spacer thickness is less than 2 nm. A significant extension of carrier lifetime by increasing the electron and hole separation is illustrated in a type-II ZnTe/ZnSe QD structure coupling with a type-I ZnCdSe/ZnSe QW. Current sample structure could be used to increase the quantum efficient of solar cell based on the II-VI compound semiconductors.

Ab initio Studies of Magnetism in the Iron Chalcogenides FeTe and FeSe

NASA Astrophysics Data System (ADS)

Hirayama, Motoaki; Misawa, Takahiro; Miyake, Takashi; Imada, Masatoshi

2015-09-01

The iron chalcogenides FeTe and FeSe belong to the family of iron-based superconductors. We study the magnetism in these compounds in the normal state using the ab initio downfolding scheme developed for strongly correlated electron systems. In deriving ab initio low-energy effective models, we employ the constrained GW method to eliminate the double counting of electron correlations originating from the exchange correlations already taken into account in the density functional theory. By solving the derived ab initio effective models, we reveal that the elimination of the double counting is important in reproducing the bicollinear antiferromagnetic order in FeTe, as is observed in experiments. We also show that the elimination of the double counting induces a unique degeneracy of several magnetic orders in FeSe, which may explain the absence of the magnetic ordering. We discuss the relationship between the degeneracy and the recently found puzzling phenomena in FeSe as well as the magnetic ordering found under pressure.

Electron microscopy of iron chalcogenide FeTe(Se) films

NASA Astrophysics Data System (ADS)

Shchichko, I. O.; Presnyakov, M. Yu.; Stepantsov, E. A.; Kazakov, S. M.; Antipov, E. V.; Makarova, I. P.; Vasil'ev, A. L.

2015-05-01

The structure of Fe1 + δTe1 - x Se x films ( x = 0; 0.05) grown on single-crystal MgO and LaAlO3 substrates has been investigated by transmission and scanning transmission electron microscopy. The study of Fe1.11Te/MgO structures has revealed two crystallographic orientation relationships between the film and substrate. It is shown that the lattice mismatch between the film and substrate is compensated for by the formation of misfit dislocations. The Burgers vector projection is determined. The stresses in the film can partially be compensated for due to the formation of an intermediate disordered layer. It is shown that a FeTe0.5Se0.5 film grown on a LaAlO3 substrate is single-crystal and that the FeTe0.5Se0.5/LaAlO3 interface in a selected region is coherent. The orientation relationships between the film and substrate are also determined for this case.

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

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Dudley, M.; Ramachandran, N.; Curreri, Peter A. (Technical Monitor)

2002-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. The following are the research progress in the past two years. In-situ monitoring of partial pressure by optical absorption technique and visual observation of the growing crystal were performed during vapor growth of ZnSe. Low-temperature photoluminescence (PL) spectra and glow discharge mass spectroscopy (GDMS) were measured on ZnSe starting materials provided by various vendors and on bulk crystals grown from these starting materials by physical vapor transport (PVT) to study the effects of purification and contamination during crystal growth process. Optical characterization was performed on wafers sliced from the grown crystals of ZnSe, ZnTe and ZnSe(1-x),Te(x), (0Se and ZnTe were dominated by near band edge emissions and no deep donor-acceptor pairs were observed. The PL spectrum exhibited a broad emission for the ZnSe(1-x),Te(x), samples, 0.09Te clusters because of the high Te content in these samples. To validate

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

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Ramachandran, N.

2003-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions.

Thermodynamic properties of model CdTe/CdSe mixtures

DOE PAGES

van Swol, Frank; Zhou, Xiaowang W.; Challa, Sivakumar R.; ...

2015-02-20

We report on the thermodynamic properties of binary compound mixtures of model groups II–VI semiconductors. We use the recently introduced Stillinger–Weber Hamiltonian to model binary mixtures of CdTe and CdSe. We use molecular dynamics simulations to calculate the volume and enthalpy of mixing as a function of mole fraction. The lattice parameter of the mixture closely follows Vegard's law: a linear relation. This implies that the excess volume is a cubic function of mole fraction. A connection is made with hard sphere models of mixed fcc and zincblende structures. We found that the potential energy exhibits a positive deviation frommore » ideal soluton behaviour; the excess enthalpy is nearly independent of temperatures studied (300 and 533 K) and is well described by a simple cubic function of the mole fraction. Using a regular solution approach (combining non-ideal behaviour for the enthalpy with ideal solution behaviour for the entropy of mixing), we arrive at the Gibbs free energy of the mixture. The Gibbs free energy results indicate that the CdTe and CdSe mixtures exhibit phase separation. The upper consolute temperature is found to be 335 K. Finally, we provide the surface energy as a function of composition. Moreover, it roughly follows ideal solution theory, but with a negative deviation (negative excess surface energy). This indicates that alloying increases the stability, even for nano-particles.« less

Telluride Misfit Layer Compounds: [(PbTe) 1.17 ] m (TiTe 2 ) n

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

Moore, Daniel B.; Beekman, Matt; Disch, Sabrina

Telluride misfit layer compounds are reported for the first time. These compounds were synthesized using a novel approach of structurally designing a precursor that would form the desired product upon low-temperature annealing, which allows the synthesis of kinetically stable products that do not appear on the equilibrium phase diagram. Four new compounds of the [(PbTe)1.17]m(TiTe2)n family are reported, and their structures were examined by a variety of X-ray diffraction techniques.

Telluride Misfit Layer Compounds: [(PbTe) 1.17 ] m (TiTe 2 ) n

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

Moore, Daniel B.; Beekman, Matt; Disch, Sabrina

2014-04-09

Telluride misfit layer compounds are reported for the first time. These compounds were synthesized using a novel approach of structurally designing a precursor that would form the desired product upon low-temperature annealing, which allows the synthesis of kinetically stable products that do not appear on the equilibrium phase diagram. Four new compounds of the [(PbTe)1.17]m(TiTe2)n family are reported, and their structures were examined by a variety of X-ray diffraction techniques.

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

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Brebrick, R. F.; Burger, A.; Dudley, M.; Matyi, R.; Ramachandran, N.; Sha, Yi-Gao; Volz, M.; Shih, Hung-Dah

1999-01-01

Complete and systematic ground-based experimental and theoretical analyses on the Physical Vapor Transport (PVT) of ZnSe and related ternary compound semiconductors have been performed. The analyses included thermodynamics, mass flux, heat treatment of starting material, crystal growth, partial pressure measurements, optical interferometry, chemical analyses, photoluminescence, microscopy, x-ray diffraction and topography as well as theoretical, analytical and numerical analyses. The experimental results showed the influence of gravity orientation on the characteristics of: (1) the morphology of the as-grown crystals as well as the as-grown surface morphology of ZnSe and Cr doped ZnSe crystals; (2) the distribution of impurities and defects in ZnSe grown crystals; and (3) the axial segregation in ZnSeTe grown crystals.

Phase equilibria in the Bi 2TeO 5Bi 2SeO 5 system and a high temperature neutron powder diffraction study of Bi 2SeO 5

NASA Astrophysics Data System (ADS)

Dityatyev, Oleg A.; Smidt, Peer; Stefanovich, Sergey Yu; Lightfoot, Philip; Dolgikh, Valery A.; Opperman, Heinrich

2004-09-01

Phase equilibria in the Bi 2TeO 5Bi 2SeO 5 system were studied by X-ray, DTA and second harmonic generation (SHG). The samples were synthesized by solid state reactions of the Bi, Te and Se oxides. The phase diagram is interpreted as a quasibinary peritectic one with wide ranges of solid solutions on the basis of both compounds. The SHG study showed Bi 2SeO 5 to undergo a phase transition at about 250 °C. Neutron diffraction (25-650 °C) showed no major changes in the structure of Bi 2SeO 5 at high temperatures. However, the analysis of the oxygen atom thermal factors and site occupancies suggested that the mechanism of the phase transformation is an order-disorder transition involving reorientation of the SeO 3 group.

Tunable (δπ, δπ)-Type Antiferromagnetic Order in α-Fe(Te,Se) Superconductors

NASA Astrophysics Data System (ADS)

Bao, Wei; Qiu, Y.; Huang, Q.; Green, M. A.; Zajdel, P.; Fitzsimmons, M. R.; Zhernenkov, M.; Chang, S.; Fang, Minghu; Qian, B.; Vehstedt, E. K.; Yang, Jinhu; Pham, H. M.; Spinu, L.; Mao, Z. Q.

2009-06-01

The new α-Fe(Te,Se) superconductors share the common iron building block and ferminology with the LaFeAsO and BaFe2As2 families of superconductors. In contrast with the predicted commensurate spin-density-wave order at the nesting wave vector (π, 0), a completely different magnetic order with a composition tunable propagation vector (δπ, δπ) was determined for the parent compound Fe1+yTe in this powder and single-crystal neutron diffraction study. The new antiferromagnetic order survives as a short-range one even in the highest TC sample. An alternative to the prevailing nesting Fermi surface mechanism is required to understand the latest family of ferrous superconductors.

Wide emission-tunable CdTeSe/ZnSe/ZnS core–shell quantum dots and their conjugation with E. coli O-157

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

Zhou, Haifeng; Zhou, Guangjun, E-mail: gjzhou@sdu.edu.cn; Zhou, Juan

2015-05-15

Highlights: • QDs with variety morphology were obtained via an injection controlled process. • 3-D PL spectra of core–shell QDs show different excitation wavelength dependence. • The PL intensity of QDs with ZnSe transition layer increases dramatically. • Core–shell QDs were processed into aqueous phase and conjugated with E. coli O-157. - Abstract: Wide emission-tunable and different morphological alloyed CdTeSe quantum dots (QDs), CdTeSe/ZnS and CdTeSe/ZnSe/ZnS core–shell QDs were successfully synthesized via an injection controlled process. The effect of injection procedure and reaction temperature were systematically discussed and the growth mechanism was proposed. Most efficient PL wavelength was correlated withmore » reaction time and temperature. The 3-D PL spectra of spherical bare CdTeSe and core–shell QDs with different passivation showed different excitation wavelength dependency. The PL intensity of CdTeSe/ZnSe/ZnS core–shell QDs increased greatly in comparison with that of CdTeSe and CdTeSe/ZnSe QDs. ZnSe transition layer played an important role in improving the PL intensity by providing a smoothened interface and gradient band offsets. The core–shell QDs were transferred into aqueous phase and successfully conjugated with Escherichia coli O-157. The proposed phase-transfer and bio-labeling strategy may be applicable to various QDs with different compositions.« less

Superconductivity with twofold symmetry in Bi2Te3/FeTe0.55Se0.45 heterostructures.

PubMed

Chen, Mingyang; Chen, Xiaoyu; Yang, Huan; Du, Zengyi; Wen, Hai-Hu

2018-06-01

Topological superconductors are an interesting and frontier topic in condensed matter physics. In the superconducting state, an order parameter will be established with the basic or subsidiary symmetry of the crystalline lattice. In doped Bi 2 Se 3 or Bi 2 Te 3 with a basic threefold symmetry, it was predicted, however, that bulk superconductivity with order parameters of twofold symmetry may exist because of the presence of odd parity. We report the proximity effect-induced superconductivity in the Bi 2 Te 3 thin film on top of the iron-based superconductor FeTe 0.55 Se 0.45 . By using the quasiparticle interference technique, we demonstrate clear evidence of twofold symmetry of the superconducting gap. The gap minimum is along one of the main crystalline axes following the so-called Δ 4 y notation. This is also accompanied by the elongated vortex shape mapped out by the density of states within the superconducting gap. Our results provide an easily accessible platform for investigating possible topological superconductivity in Bi 2 Te 3 /FeTe 0.55 Se 0.45 heterostructures.

Superconductivity with twofold symmetry in Bi2Te3/FeTe0.55Se0.45 heterostructures

PubMed Central

Du, Zengyi

2018-01-01

Topological superconductors are an interesting and frontier topic in condensed matter physics. In the superconducting state, an order parameter will be established with the basic or subsidiary symmetry of the crystalline lattice. In doped Bi2Se3 or Bi2Te3 with a basic threefold symmetry, it was predicted, however, that bulk superconductivity with order parameters of twofold symmetry may exist because of the presence of odd parity. We report the proximity effect–induced superconductivity in the Bi2Te3 thin film on top of the iron-based superconductor FeTe0.55Se0.45. By using the quasiparticle interference technique, we demonstrate clear evidence of twofold symmetry of the superconducting gap. The gap minimum is along one of the main crystalline axes following the so-called Δ4y notation. This is also accompanied by the elongated vortex shape mapped out by the density of states within the superconducting gap. Our results provide an easily accessible platform for investigating possible topological superconductivity in Bi2Te3/FeTe0.55Se0.45 heterostructures. PMID:29888330

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

NASA Technical Reports Server (NTRS)

2003-01-01

The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows. ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, were grown by vapor transport technique with real time in situ non-invasive monitoring techniques. The grown crystals were characterized extensively to correlate the grown crystal properties with the growth conditions. Significant effects of gravity vector orientation on the growth crystal morphology and point defect distribution were observed.

Photo- and Thermo-Induced Changes in Optical Constants and Structure of Thin Films from GeSe2-GeTe-ZnTe System

NASA Astrophysics Data System (ADS)

Petkov, Kiril; Todorov, Rossen; Vassilev, Venceslav; Aljihmani, Lilia

We examined the condition of preparation of thin films from GeSe2-GeTe-ZnTe system by thermal evaporation and changes in their optical properties after exposure to light and thermal annealing. The results for composition analysis of thin films showed absence of Zn independently of the composition of the bulk glass. By X-ray diffraction (XRD) analysis it was found that a reduction of ZnTe in ZnSe in bulk materials takes of place during the film deposition. A residual from ZnSe was observed in the boat after thin film deposition. Optical constants (refractive index, n and absorption coefficient, α) and thickness, d as well as the optical band gap, Eg, depending of the content of Te in ternary Ge-Se-Te system are determined from specrophotometric measurements in the spectral range 400-2500 nm applying the Swanepoel's envelope method and Tauc's procedure. With the increase of Te content in the layers the absorption edge is shifted to the longer wavelengths, refractive index increases while the optical band gap decreases from 2.02 eV for GeSe2 to 1.26 eV for Ge34Se42Te24. The values of the refractive index decrease after annealing of all composition and Eg increase, respectively. Thin films with composition of Ge27Se47Te9Zn17 and Ge28Se49Te10Zn13 were prepared by co-evaporation of (GeSe2)78(GeTe)22 and Zn from a boat and a crucible and their optical properties, surface morphology and structure were investigated. The existence of a correlation between the optical band gap and the copostion of thin films from the system studied was demonstrated.

Thermoelectric properties of Nb3SbxTe7-x compounds

NASA Technical Reports Server (NTRS)

Snyder, J.; Wang, S.; Caillat, T.

2002-01-01

Niobium antimony telluride, Nb3Sbx,Te7-x, was synthesized and tested for thermoelectric properties in the Thermoelectrics group at the Jet Propulsion Laboratory. The forty atoms per unit cell of Nb3Sb2Te5 and its varied mixture of atoms yield acomplicated structure, suggesting that Nb3Sb2Te5 and related compounds may exhibit low thermal conductivity and hence a higher ZT value. Nb3SbxTe7-x, compounds were synthesized and subsequently analyzed for their Seebeck voltage, heat conduction, and electrical resistivity. Results indicate that Nb3Sb2Te5 is a heavily doped semiconductor whose thermoelectric properties are compromised by compensating n-type and p-type carriers. Attempts to dope in favor of either carrier by varying the Sb:Te ratio yielded samples containing secondary metallic phases that dominated the transport properties of the resulting compounds.

Synthesis of colloidal Zn(Te,Se) alloy quantum dots

NASA Astrophysics Data System (ADS)

Asano, H.; Arai, K.; Kita, M.; Omata, T.

2017-10-01

Colloidal Zn(Te1-x Se x ) quantum dots (QDs), which are highly mismatched semiconductor alloys, were synthesized by the hot injection of an organometallic solution, and the composition and size dependence of their optical gap were studied together with the theoretical calculation using the finite-depth-well effective mass approximation. The optical gaps exhibited considerable negative deviation from the mole fraction weighted mean optical gaps of ZnTe and ZnSe, i.e. a large optical gap bowing was observed, similar to the bulk and thin-film alloys. The composition and size dependence of optical gaps agreed well with theoretically calculated ones employing a bowing parameter similar to that of the bulk alloys; therefore, the extent of the optical gap bowing in these alloy QDs is concluded to be the same as that in bulk and thin-film alloys. The optical gaps of Zn(Te1-x Se x ) QDs with diameters of 3.5-5 nm, where x ~ 0.35, were close to the energy corresponding to green light, indicating that those QDs are very promising as green QD-phosphors.

Structure of Se-Te glasses studied using neutron, X-ray diffraction and reverse Monte Carlo modelling

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

Itoh, Keiji, E-mail: itoh@okayama-u.ac.jp; Research Reactor Institute, Kyoto University, Kumatori, Osaka 590-0494

Pulsed neutron diffraction and synchrotron X-ray diffraction measurements were performed on Se{sub 100-x}Te{sub x} bulk glasses with x=10, 20, 30 and 40. The coordination numbers obtained from the diffraction results demonstrate that Se and Te atoms are twofold coordinated and the glass structure is formed by the chain network. The three-dimensional structure model for Se{sub 60}Te{sub 40} glass obtained by using reverse Monte Carlo modelling shows that the alternating arrangements of Se and Te atoms compose the major part of the chain clusters but several other fragments such as Se{sub n} chains and Te-Te dimers are also present in largemore » numbers. The chain clusters have geometrically disordered forms and the interchain atomic order is different from those in the crystal structures of trigonal Se and trigonal Te. - Graphical abstract: Coordination environment in Se{sub 60}Te{sub 40} glass.« less

Trivalent uranium phenylchalcogenide complexes: exploring the bonding and reactivity with CS2 in the Tp*2UEPh series (E = O, S, Se, Te).

PubMed

Matson, Ellen M; Breshears, Andrew T; Kiernicki, John J; Newell, Brian S; Fanwick, Phillip E; Shores, Matthew P; Walensky, Justin R; Bart, Suzanne C

2014-12-15

The trivalent uranium phenylchalcogenide series, Tp*2UEPh (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate, E = O (1), S (2), Se (3), Te (4)), has been synthesized to investigate the nature of the U-E bond. All compounds have been characterized by (1)H NMR, infrared and electronic absorption spectroscopies, and in the case of 4, X-ray crystallography. Compound 4 was also studied by SQUID magnetometry. Computational studies establish Mulliken spin densities for the uranium centers ranging from 3.005 to 3.027 (B3LYP), consistent for uranium-chalcogenide bonds that are primarily ionic in nature, with a small covalent contribution. The reactivity of 2-4 toward carbon disulfide was also investigated and showed reversible CS2 insertion into the U(III)-E bond, forming Tp*2U(κ(2)-S2CEPh) (E = S (5), Se (6), Te (7)). Compound 5 was characterized crystallographically.

Thermoelectric properties and chemical potential tuning by Cu-doping in n-type ionic conductors CuxAg2-xSe0.5Te0.5

NASA Astrophysics Data System (ADS)

Lee, Min Ho; Yun, Jae Hyun; Ahn, Kyunghan; Rhyee, Jong-Soo

2017-12-01

Copper and silver chalcogenides with superionic conduction behavior have shown impressively high ZT values, but there has been no intensive effort to optimize their carrier density to further improve their ZT values. Here, we prepared polycrystalline CuxAg2-xSe0.5Te0.5 (x = 0.01, 0.05, 0.1) samples using high temperature melting followed by hot-press sintering, and characterized their thermoelectric properties. We demonstrated that Cu substitution for Ag was achieved with <10% Cu content for CuxAg2-xSe0.5Te0.5 and the Cu doping was quite effective and significantly enhanced the compound's n-type carrier density, which was one order of magnitude higher than the pristine Ag2Se0.5Te0.5 (4.10 × 1018 cm-3). Impressively, the enhancement in electrical conductivity with increasing Cu content was greater than the decrease in absolute value of the Seebeck coefficient in the superionic conduction state. This led to relatively high power factors for Cu0.1Ag1.99Se0.5Te0.5, ranging between 1.10 and 1.30 mW m-1 K-2 over the broad temperature range of 400-560 K, and resulted in the highest ZT of 0.85 at 560 K. Furthermore, ZT values approached >0.7 over a wide temperature range of 460-560 K for x > 0.05. We suggest that the unusual Cu doping effect in Ag2Se0.5Te0.5 can be attributed to the creation of Cu ion conduction in addition to Ag ion conduction, and the optimization of the compound's n-type carrier density.

Features of the electronic structure of FeTe compounds

NASA Astrophysics Data System (ADS)

Grechnev, G. E.; Lyogenkaya, A. A.; Panfilov, A. S.; Logosha, A. V.; Kotlyar, O. V.; Gnezdilov, V. P.; Makarova, I. P.; Chareev, D. A.; Mitrofanova, E. S.

2015-12-01

A theoretical and experimental study of the electronic structure and nature of the chemical bonds in FeTe compounds in antiferromagnetic (AFM) and paramagnetic phases was carried out. It is established that the nature of the chemical bonds is mainly metallic, and the presence of covalent bonds Fe-Te and Te-Te helps to stabilize the structural distortions of the tetragonal phase of FeTe in the low-temperature region. It is found that the bicollinear AFM structure corresponds to the ground state of the FeTe compound and the calculated value of the magnetic moment MFe = -2.4μB is in good agreement with the data from neutron diffraction measurements. At the same time, the Fermi surface (FS) of the low-temperature AFM phase is radically different from the FS of the paramagnetic FeTe. Reconstructing the FS can lead to a sign change of the Hall coefficient observed in FeTe. The calculation results serve as evidence of the fact that the electronic structures and magnetic properties of FeTe are well-described by the model of itinerant d-electrons and the density functional theory (DFT-GGA).

Impact of the charge density wave state in the electrodynamic response of ZrTe 3 - x Se x : Optical evidence for a pseudogap phase

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

Chinotti, M.; Ethiraj, J.; Mirri, C.

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe 3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe 3-xSe x at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, whichmore » images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Thus, our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.« less

Impact of the charge density wave state in the electrodynamic response of ZrTe 3 - x Se x : Optical evidence for a pseudogap phase

DOE PAGES

Chinotti, M.; Ethiraj, J.; Mirri, C.; ...

2018-01-12

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe 3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe 3-xSe x at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, whichmore » images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Thus, our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.« less

Electron beam crystallization of Te 1-xSe x films

NASA Astrophysics Data System (ADS)

Vermaak, J. S.; Raubenheimer, D.

1987-11-01

In situ transmission electron microscopy has been used to study the effect of high energy electrons on the amorphous-to-crystalline phase transformation, the isothermal growth rates, as well as the structure and orientation of the recrystallized Te 0.7Se 0.3 thin films. It is shown that the beam effect is not a pure thermal effect. It is proposed that the electron beam initiates nucleation and promotes growth by the interaction of the high energy electrons with the van der Waals type bonds between the short composite Te-Se chains.

Effect of Te doping on FeSe superconductor synthesized by powder-in-tube

NASA Astrophysics Data System (ADS)

Imaduddin, A.; Nisa, K.; Yudanto, S. D.; Nugraha, H.; Siswayanti, B.

2017-04-01

FeSe is a superconducting material, which has the simplest crystal structure among the Fe-based superconductors. It has no arsenic element, which is very harmful to the human body. In this study, we analyzed the effects of milling time and Te doping on FeSe superconductors. The synthesis of the samples were carried out using powder-in-tube method in a SS304 stainless steel tube. After the pressing process, followed by the sintering process at 500° C for 20 hours, the samples were removed from the tubes. Later, we analyzed its crystal structures, surfaces morphology and the superconductivity properties. Δ-FeSe phase (hexagonal, non-superconductor) and β-FeSe (tetragonal, superconductor) were formed in the samples, including minor phases of Fe and Fe3Se4. Te doping changed the crystal structure from β-FeSe and Δ-FeSe into FeSe0.5Te0.5. In addition, the onset critical temperature (TC, onset) shifted to higher temperature.

Ce{sub 2}AgYb{sub 5/3}Se{sub 6}, La{sub 2}CuErTe{sub 5}, and Ce{sub 2}CuTmTe{sub 5}: Three new quaternary interlanthanide chalcogenides

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

Babo, Jean-Marie; Albrecht-Schmitt, Thomas E., E-mail: talbrec1@nd.edu

2013-01-15

Three new ordered quaternary interlanthanide chalcogenides, Ce{sub 2}AgYb{sub 5/3}Se{sub 6}, La{sub 2}CuErTe{sub 5}, and Ce{sub 2}CuTmTe{sub 5}, have been prepared by direct reaction of the elements in molten NaBr at 900 Degree-Sign C. Each compound forms a new structure-type. The Ce{sub 2}AgYb{sub 5/3}Se{sub 6} structure consists of {infinity}{sup 2}{l_brace} [AgYb{sub 5/6}Se{sub 6}]{sup 6-}{r_brace} layers intercalated by Ce{sup 3+} cations. These layers are composed of {infinity}{sup 1}{l_brace} [Yb{sub 5/3}Se{sub 6}]{sup 7-}{r_brace} quadruplet ribbons of [YbSe{sub 6}]{sup 9-} octahedra and infinite {infinity}{sup 1}{l_brace} [AgSe{sub 6}]{sup 11-}{r_brace} double chains of [AgSe{sub 5}]{sup 9-}. The La{sub 2}CuErTe{sub 5} structure is made of one-dimensional {infinity}{supmore » 1}{l_brace} [CuErTe{sub 5}]{sup 6-}{r_brace} ribbons separated by La{sup 3+} cations. These ribbons are formed by cis-edge sharing {infinity}{sup 1}{l_brace} [CuTe{sub 2}]{sup 3-}{r_brace} tetrahedral chains and trans-edge sharing {infinity}{sup 1}{l_brace} [ErTe{sub 4}]{sup 5-}{r_brace} chains. While La{sub 2}CuErTe{sub 5} crystallizes in the orthorhombic space group Pnma, Ce{sub 2}CuTmTe{sub 5} crystallizes in the monoclinic space group C2/m. The latter crystal structure is assembled from {infinity}{sup 2}{l_brace} [CuTmTe{sub 5}]{sup 6-}{r_brace} layers intercalated by Ce{sup 3+} cations. These layers consist of single {infinity}{sup 1}{l_brace} [TmTe{sub 4}]{sup 5-}{r_brace} chains connected to each other through dimers or pseudo-double chains. - Graphical abstract: [CuTe{sub 4}]{sup 7-} tetrahedra sharing cis-edges to yield chains in the La{sub 2}CuErTe{sub 5}. Highlights: Black-Right-Pointing-Pointer New ordered interlanthanide tellurides. Black-Right-Pointing-Pointer New quaternary chalcogenides. Black-Right-Pointing-Pointer Low-dimensional lanthanide chalcogenide substructures. Black-Right-Pointing-Pointer Flux synthesis of new chalcogenides.« less

Inversion symmetry breaking induced triply degenerate points in orderly arranged PtSeTe family materials

NASA Astrophysics Data System (ADS)

Xiao, R. C.; Cheung, C. H.; Gong, P. L.; Lu, W. J.; Si, J. G.; Sun, Y. P.

2018-06-01

k paths exactly with symmetry allow to find triply degenerate points (TDPs) in band structures. The paths that host the type-II Dirac points in PtSe2 family materials also have the spatial symmetry. However, due to Kramers degeneracy (the systems have both inversion symmetry and time reversal symmetry), the crossing points in them are Dirac ones. In this work, based on symmetry analysis, first-principles calculations, and method, we predict that PtSe2 family materials should undergo topological transitions if the inversion symmetry is broken, i.e. the Dirac fermions in PtSe2 family materials split into TDPs in PtSeTe family materials (PtSSe, PtSeTe, and PdSeTe) with orderly arranged S/Se (Se/Te). It is different from the case in high-energy physics that breaking inversion symmetry I leads to the splitting of Dirac fermion into Weyl fermions. We also address a possible method to achieve the orderly arranged in PtSeTe family materials in experiments. Our study provides a real example that Dirac points transform into TDPs, and is helpful to investigate the topological transition between Dirac fermions and TDP fermions.

Chalcogen (O2, S, Se, Te) atmosphere annealing induced bulk superconductivity in Fe1+yTe1-xSex single crystal

NASA Astrophysics Data System (ADS)

Sun, Y.; Tsuchiya, Y.; Yamada, T.; Taen, T.; Pyon, S.; Shi, Z. X.; Tamegai, T.

2014-09-01

We reported a detailed study of Fe1+yTe0.6Se0.4 single crystals annealed in the atmosphere of chalcogens (O2, S, Se, Te). After annealing with appropriate amount of chalcogens, Fe1+yTe0.6Se0.4 single crystals show Tc higher than 14 K with a sharp transition width ∼1 K. Critical current density Jc for the annealed crystals reach a very high value ∼2-4 × 105 A/cm2 under zero field, and is also robust under applied field at low temperatures. Magneto-optical imaging reveal that the Jc is homogeneously distributed in the annealed crystals and isotropic in the ab-plane. Our results show that annealing in the atmosphere of chalcogens can successfully induce bulk superconductivity in Fe1+yTe0.6Se0.4.

Fluorescence properties of alloyed ZnSeS quantum dots overcoated with ZnTe and ZnTe/ZnS shells

NASA Astrophysics Data System (ADS)

Adegoke, Oluwasesan; Mashazi, Philani; Nyokong, Tebello; Forbes, Patricia B. C.

2016-04-01

Fluorescent alloyed ternary ZnSeS quantum dots (QDs) have been synthesized via the pyrolysis of organometallic precursors. The effects of passivation of ZnTe and ZnTe/ZnS shells on the optical properties of the ternary alloyed ZnSeS core have been studied. A ligand exchange reaction using L-cysteine as a capping ligand was used to obtain water-soluble nanocrystals. The nanocrystals were each characterized by UV/vis absorption and fluorescence spectroscopy, transmission electron microscopy, X-ray diffractometry (XRD) and X-ray photoelectron spectroscopy (XPS). The photoluminescence (PL) quantum yield (QY) of alloyed ZnSeS QDs was 14% and this value increased to 27% when ZnTe was overcoated around the surface but further coating with a ZnS shell decreased the PL QY slightly to 24%. This implies that ZnTe shell suppressed non-radiative recombination exciton states in the alloyed core while further layering with a ZnS shell offered no further improvement in suppressing the defect states. XPS analysis confirmed the presence of the first shell layering but showed a weakened intensity signal of S (2p) and Se (3d) for the ZnSeS/ZnTe/ZnS QDs. Our work demonstrates for the first time that shell passivation of alloyed Zn-based QDs can offer improved optical properties. We hope the optical information presented in this work will be useful in the selection of alloyed Zn-based QDs appropriate for the intended application.

Normal state above the upper critical field in Fe 1 + y Te 1 - x ( Se , S ) x

DOE PAGES

Wang, Aifeng; Kampert, Erik; Saadaoui, H.; ...

2017-05-03

Here, we have investigated the magnetotransport above the upper critical field ( H c 2 ) in Fe 1.14 Te 0.7 Se 0.3 , Fe 1.02 Te 0.61 Se 0.39 , Fe 1.05 Te 0.89 Se 0.11 , and Fe 1.06 Te 0.86 S 0.14 . The μ SR measurements confirm electronic phase separation in Fe 1.06 Te 0.86 S 0.14 , similar to Fe 1 + y Te 1 - x Se x . We found that superconductivity is suppressed in high magnetic fields above 60 T, allowing us to gain insight into the normal-state properties below the zero-fieldmore » superconducting transition temperature ( T c ). We also show that the resistivity of Fe 1.14 Te 0.7 Se 0.3 and Fe 1.02 Te 0.61 Se 0.39 above H c 2 is metallic as T → 0 , just like the normal-state resistivity above T c . On the other hand, the normal-state resistivity in Fe 1.05 Te 0.89 Se 0.11 and Fe 1.06 Te 0.86 S 0.14 is nonmetallic down to lowest temperatures, reflecting the superconductor-insulator transition due to electronic phase separation.« less

Growth of Lattice-Matched ZnTeSe Alloys on (100) and (211)B GaSb

NASA Astrophysics Data System (ADS)

Chai, J.; Lee, K.-K.; Doyle, K.; Dinan, J. H.; Myers, T. H.

2012-10-01

A key issue with the current HgCdTe/Si system is the high dislocation density due to the large mismatch between HgCdTe and Si. An alternative system that has superior lattice matching is HgCdSe/GaSb. A buffer layer to mitigate issues with direct nucleation of HgCdSe on GaSb is ZnTe1- x Se x . We have performed preliminary studies into the growth of lattice-matched ZnTe1- x Se x on both (100) and (211)B GaSb. The effects of substrate orientation, substrate temperature, and growth conditions on the morphology and crystallography of ZnTe0.99Se0.01 alloys were investigated. The lattice-matching condition yielded minimum root-mean-square (rms) roughness of 1.1 nm, x-ray rocking curve full-width at half-maximum (FWHM) value of ~29 arcsec, and density of nonradiative defects of mid-105 cm-2 as measured by imaging photoluminescence.

Structural phase transitions of (Bi 1$-$xSb x ) 2(Te 1$-$y Se y) 3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

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

Zhao, Jinggeng; Yu, Zhenhai; Hu, Qingyang

Recently, A 2B 3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi 2Te 2Se, BiSbTeSe 2, and Sb 2Te 2Se tetradymites under high pressure. Bi 2Te 2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi 2Te 3. Thus, themore » compression behavior of Bi 2Te 2Se is the same as that of Bi 2Se 3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe 2 and Sb 2Te 2Se undergo similar structural phase transitions to Bi 2Te 2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A 2B 3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.« less

Structural phase transitions of (Bi 1$-$xSb x ) 2(Te 1$-$y Se y) 3 compounds under high pressure and the influence of the atomic radius on the compression processes of tetradymites

DOE PAGES

Zhao, Jinggeng; Yu, Zhenhai; Hu, Qingyang; ...

2016-12-14

Recently, A 2B 3-type tetradymites have developed into a hot topic in physical and material research fields, where the A and B atoms represent V and VI group elements, respectively. In this study, in situ angle-dispersive X-ray diffraction measurements were performed on Bi 2Te 2Se, BiSbTeSe 2, and Sb 2Te 2Se tetradymites under high pressure. Bi 2Te 2Se transforms from a layered rhombohedral structure (phase I) into 7-fold monoclinic (phase II) and body-centered tetragonal (phase IV) structures at about 8.0 and 14.3 GPa, respectively, without an 8-fold monoclinic structure (phase III) similar to that in Bi 2Te 3. Thus, themore » compression behavior of Bi 2Te 2Se is the same as that of Bi 2Se 3, which could also be obtained from first-principles calculations and in situ high-pressure electrical resistance measurements. Under high pressure, BiSbTeSe 2 and Sb 2Te 2Se undergo similar structural phase transitions to Bi 2Te 2Se, which indicates that the compression process of tellurides can be modulated by doping Se in Te sites. According to these high-pressure investigations of A 2B 3-type tetradymites, the decrease of the B-site atomic radius shrinks the stable pressure range of phase III and expands that of phase II, whereas the decrease of the A-site atomic radius induces a different effect, i.e. expanding the stable pressure range of phase III and shrinking that of phase II. Lastly, the influence of the atomic radius on the compression process of tetradymites is closely related to the chemical composition and the atom arrangement in the quintuple layer.« less

Low-Cost Lattice Matching Zn(Se)Te/Si Composite Substrates for HgCdSe and Type-2 Superlattices

DTIC Science & Technology

2013-09-01

far from optimized. In similar fashion, we studied the impact of Zn/Te flux ratio during ZnTe growth. In this case , three ZnTe(100) layers were...6.1 Å, such as HgCdSe and GaSb-based type-II strained-layer superlattices. In this report, we present our findings on the systematic studies of...versus lattice parameter for several semiconductor material systems. We conducted systematic studies on the MBE growth of ZnTe on Si in both (211) and

RGDS-conjugated CdSeTe/CdS quantum dots as near-infrared fluorescent probe: preparation, characterization and bioapplication

NASA Astrophysics Data System (ADS)

Li, Zhenzhen; Zhang, Qiyi; Huang, Huaying; Ren, Changjing; Pan, Yujin; Wang, Qing; Zhao, Qiang

2016-12-01

In the experiments, high-quality, water-soluble and near-infrared (NIR)-emitting CdSeTe and CdSeTe/CdS quantum dots (QDs) were successfully prepared. The average size of CdSeTe⁄CdS QDs was 7.68 nm and CdSeTe QDs was 4.33 nm. Arginine-glycine-aspartic-serine acid (RGDS) peptides were linked to CdSeTe/CdS QDs by N-(3-(dimethylamino)propyl)-N'-ehtylcarbodiimide hydrochloride (EDC) and N'-hydroxysuccinimide (NHS). The prepared RGDS-tagged NIR CdSeTe/CdS QDs (denoted as RGDS-CdSeTe/CdS) had an average diameter of 24.83 nm and were used for cancer cell immunofluorescence imaging. The characteristics of RGDS-conjugated CdSeTe/CdS such as morphology, structure, spectra, stability, cytotoxicity, and near-infrared microscopic imaging were investigated in detail. HepG2 cells were incubated with the novel fluorescent probe (RGDS-CdSeTe/CdS), which realized immunofluorescence targeting and imaging. The results reported here open up new perspectives for integrin-targeted near-infrared imaging and may aid in tumor detection including imaging-guided surgery.

Inhomogeneities and superconductivity in poly-phase Fe-Se-Te systems

NASA Astrophysics Data System (ADS)

Hartwig, S.; Schäfer, N.; Schulze, M.; Landsgesell, S.; Abou-Ras, D.; Blum, Ch. G. F.; Wurmehl, S.; Sokolowski, A.; Büchner, B.; Prokeš, K.

2018-02-01

The impact of synthesis conditions, post-preparation heating procedure, aging and influence of pressure on the superconducting properties of FeSe0.4Te0.6 crystals is reported. Two FeSe0.4Te0.6 single crystals were used in the study, prepared from stoichiometric melt but cooled down with very different cooling rates, and investigated using magnetic bulk and electrical-resistivity methods. The fast-cooled crystal contains large inclusions of Fe3Se2.1Te1.8 and exhibits bulk superconductivity in its as-prepared state, while the other is homogeneous and shows only traces of superconductivity. AC susceptibility measurements under hydrostatic pressure show that the superconducting transition temperature of the inhomogeneous crystal increases from 12.3 K at ambient pressure to Tsc = 17.9 K at 9 kbar. On the other hand, neither pressure nor mechanically-induced stress is sufficient to induce superconductivity in the homogeneous crystal. However, an additional heat treatment at 673 K followed by fast cooling down and/or long-term aging at ambient conditions leads to the appearance of bulk superconductivity also in the latter sample. This sample remains homogeneous on a scale down to few μm but shows an additional magnetic phase transition around 130 K suggesting that it must be inhomogeneous. For comparison also Fe3Se2.1Te1.8 polycrystals have been prepared and their magnetic properties have been studied. It appears that this phase is not superconducting by itself. It is concluded that nano-scale inhomogeneities that appear in the FeSexTe1-x system due to a spinodal decomposition in the solid state are necessary for bulk superconductivity, possibly due to minor changes in the crystal structure and microstructure. Macroscopic inclusions quenched by fast cooling from high temperatures lead obviously to strain and hence variations in the lattice constants, an effect that is further supported by application of pressure/stress.

Laser induced Te diffusion in amorphous As50Se50 thin films probed by FTIR and XPS

NASA Astrophysics Data System (ADS)

Behera, Mukta; Panda, Rozalin; Naik, Ramakanta

2017-05-01

In the present report, we have demonstrated the combine effect of deposition and photo diffusion of Te into As50Se50 chalcogenide thin films. The influence of Te deposition onto As50Se50 layer has modified the optical parameters. The thermally evaporated Te/As50Se50 bilayer film is irradiated with near bandgap laser light. The optical and structural property of Te/As50Se50 bilayer film under the influence of laser irradiation has been investigated by X-ray photo electron spectroscopy and Fourier transform infrared spectroscopy. The As3d, Se3d and Te4d core level peaks of the photo diffused film show significant changes in shape and position in comparisons with those obtained for non irradiated films. The extensive analysis by deconvoluting the spectra shows the Te diffusion into As50Se50 matrix by forming Te-As-Se layer. The optical band gap of the diffused region is found to be decreased with the increase of density of states in the band edge. The change in transmissivity and absorption coefficient modified the optical constants which is discussed in the light of the present result.

Corrosion Behavior of Bi2Te3-Based Thermoelectric Materials Fabricated by Melting Method

NASA Astrophysics Data System (ADS)

Kohri, Hitoshi; Yagasaki, Takayoshi

2017-05-01

Bi2Te3-based compounds are used practically as thermoelectric cooling materials. Bi2Te3-Sb2Te3 or Bi2Te3-Bi2Se3 pseudobinary system compounds are usually applied as p- or n-type material, respectively. Atmospheric water may condense on the surface of thermoelectric materials constituting Peltier modules, depending on their operating environment. Very few studies on the corrosion resistance of Bi2Te3-based compounds have been reported in literature. Moreover, the detailed corrosion behavior of Bi2Te3-based compounds remains unclear. In this study, the corrosion behavior of cleavage planes of Bi2Te3-based compounds fabricated by a melting method has been investigated. Bi2Te3, Sb2Te3, and Bi2Se3 were prepared by the vertical Bridgman method, respectively. Their electrochemical properties evaluated at room temperature by cyclic voltammetry in a standard three-electrode cell with naturally aerated 0.6 mass% or 3.0 mass% NaCl solution as working electrolyte. The c-planes of Bi2Te3 and Sb2Te3 exhibited similar corrosion potential. The corrosion potential of c-plane of Bi2Se3 was more cathodic compared with that of the telluride. The passive current density of the Bi2Te3-based compounds was single or double digit lower than that of stainless steel. X-ray photoelectron spectroscopy results for the electrolyte after testing indicated the possibility that a corrosion product diffuses to the environment including NaCl for Sb2Te3 and Bi2Se3.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe.

PubMed

Gurevich, A S; Kochereshko, V P; Bleuse, J; Mariette, H; Waag, A; Akimoto, R

2011-09-07

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

Observation of interface carrier states in no-common-atom heterostructures ZnSe/BeTe

NASA Astrophysics Data System (ADS)

Gurevich, A. S.; Kochereshko, V. P.; Bleuse, J.; Mariette, H.; Waag, A.; Akimoto, R.

2011-09-01

The existence of intrinsic carrier interface states in heterostructures with no common atom at the interface (such as ZnSe/BeTe) is shown experimentally by ellipsometry and photoluminescence spectroscopy. These states are located on interfaces and lie inside the effective bandgap of the structure; they are characterized by a high density and a long lifetime. A tight binding model confirms theoretically the existence of these states in ZnSe/BeTe heterostructures for a ZnTe-type interface, in contrast to the case of the BeSe-type interface for which they do not exist.

CdTe/CdSe quantum dots improve the binding affinities between α-amylase and polyphenols.

PubMed

Ni, Xiaoling

2012-03-01

People exposed to engineered nanomaterials have potential health risks associated. Human α-amylase is one of the key enzymes in the digestive system. There are few reports about the influence of quantum dots (QDs) on the digestive enzymes and their inhibition system. This work focused on the toxic effect of CdTe/CdSe QDs on the interactions between α-amylase and its natural inhibitors. Thirty-six dietary polyphenols, natural α-amylase inhibitors from food, were studied for their affinities for α-amylase in the absence and presence of CdTe/CdSe QDs by a fluorescence quenching method. The magnitudes of apparent binding constants of polyphenols for α-amylase were almost in the range of 10(5)-10(7) L mol(-1) in the presence of CdTe/CdSe QDs, which were higher than the magnitudes of apparent binding constants in the absence of CdTe/CdSe QDs (10(4)-10(6) L mol(-1)). CdTe/CdSe QDs obviously improved the affinities of dietary polyphenols for α-amylase up to 389.04 times. It is possible that the binding interaction between polyphenols and α-amylase in the presence of CdTe/CdSe QDs was mainly caused by electrostatic interactions. QDs significantly influence the digestive enzymes and their inhibition system. This journal is © The Royal Society of Chemistry 2012

The section TiInSe/sub 2/-TiSbSe/sub 2/ of the system Ti-In-Sb-Se

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

Guseinov, G.D.; Chapanova, L.M.; Mal'sagov, A.U.

1985-09-01

The ternary compounds A /SUP I/ B /SUP III/ C/sub 2/ /SUP VI/ (A /SUP I/ is univalent Ti; B /SUP III/ is Ga or In; and C /SUP VI/ is S, Se or Te) form a class of semiconductors with a large number of different gap widths. The compounds crystallize in the chalcopyrite structure. Solid solutions based on these compounds, which permit varying smoothly the gap width and other physical parameters over wide limits, are of great interest. The authors synthesized the compounds TiInSe/sub 2/ and TiSbSe/sub 2/ from the starting materials Ti-000, In-000, Sb-000 and Se-OSCh-17-4 by directmore » fusion of the components, taken in a stoichiometric ratio, in quartz ampules evacuated to 1.3 X 10/sup -3/ Pa and sealed.« less

Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations.

PubMed

Fleischer, Holger; Wann, Derek A; Hinchley, Sarah L; Borisenko, Konstantin B; Lewis, James R; Mawhorter, Richard J; Robertson, Heather E; Rankin, David W H

2005-10-07

The molecular structures of Se(SCH(3))(2) and Te(SCH(3))(2) were investigated using gas-phase electron diffraction (GED) and ab initio and DFT geometry optimisations. While parameters involving H atoms were refined using flexible restraints according to the SARACEN method, parameters that depended only on heavy atoms could be refined without restraints. The GED-determined geometric parameters (r(h1)) are: rSe-S 219.1(1), rS-C 183.2(1), rC-H 109.6(4) pm; angleS-Se-S 102.9(3), angleSe-S-C 100.6(2), angleS-C-H (mean) 107.4(5), phiS-Se-S-C 87.9(20), phiSe-S-C-H 178.8(19) degrees for Se(SCH(3))(2), and rTe-S 238.1(2), rS-C 184.1(3), rC-H 110.0(6) pm; angleS-Te-S 98.9(6), angleTe-S-C 99.7(4), angleS-C-H (mean) 109.2(9), phiS-Te-S-C 73.0(48), phiTe-S-C-H 180.1(19) degrees for Te(SCH(3))(2). Ab initio and DFT calculations were performed at the HF, MP2 and B3LYP levels, employing either full-electron basis sets [3-21G(d) or 6-31G(d)] or an effective core potential with a valence basis set [LanL2DZ(d)]. The best fit to the GED structures was achieved at the MP2 level. Differences between GED and MP2 results for rS-C and angleS-Te-S were explained by the thermal population of excited vibrational states under the experimental conditions. All theoretical models agreed that each compound exists as two stable conformers, one in which the methyl groups are on the same side (g(+)g(-) conformer) and one in which they are on different sides (g(+)g(+) conformer) of the S-Y-S plane (Y = Se, Te). The conformational composition under the experimental conditions could not be resolved from the GED data. Despite GED R-factors and ab initio and DFT energies favouring the g(+)g(+) conformer, it is likely that both conformers are present, for Se(SCH(3))(2) as well as for Te(SCH(3))(2).

Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

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

Bachhuber, Frederik; School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland; Krach, Alexander

2015-03-15

Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine theirmore » stabilities, competing binary MT{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs{sub 2} type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 3} compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS{sub 2}.« less

Electronic structure and optical properties of iron based chalcogenide FeX2 (X = S, Se, Te) for photovoltaic applications: a first principle study

NASA Astrophysics Data System (ADS)

Ghosh, Anima; Thangavel, R.

2017-11-01

In present work, the electronic structure and optical properties of the FeX2 (X = S, Se, Te) compounds have been evaluated by the density functional theory based on the scalar-relativistic full potential linear augmented plane wave method via Wien2K. From the total energy calculations, it has been found that all the compounds have direct band nature, which determined by iron 3 d states at valance band edge and anion p dominated at conduction band at Γ-point and the fundamental band gap between the valence band and conduction band are estimated 1.40, 1.02 and 0.88 eV respectively with scissor correction for FeS2, FeSe2 and FeTe2 which are close to the experimental values. The optical properties such as dielectric tensor components and the absorption coefficient of these materials are determined in order to investigate their usefulness in photovoltaic applications.

The geological and microbiological controls on the enrichment of Se and Te in sedimentary rocks

NASA Astrophysics Data System (ADS)

Bullock, Liam; Parnell, John; Armstrong, Joseph; Boyce, Adrian; Perez, Magali

2017-04-01

Selenium (Se) and tellurium (Te) have become elements of high interest, mainly due to their photovoltaic and photoconductive properties, and can contaminate local soils and groundwater systems during mobilisation. Due to their economic and environmental significance, it is important to understand the processes that lead to Se- and Te-enrichment in sediments. The distribution of Se and Te in sedimentary environments is primarily a function of redox conditions, and may be transported and concentrated by the movement of reduced fluids through oxidised strata. Se and Te concentrations have been measured in a suite of late Neoproterozoic Gwna Group black shales (UK) and uranium red bed (roll-front) samples (USA). Due to the chemical affinity of Se and sulphur (S), variations in the S isotopic composition of pyrite have also been measured in order to provide insights into their origin. Scanning electron microscopy of pyrite in the black shales shows abundant inclusions of the lead selenide mineral clausthalite. The data for the black shale samples show marked enrichment in Te and Se relative to crustal mean and several hundreds of other samples processed through our laboratory. While Se levels in sulphidic black shales are typically below 5 ppm, the measured values of up to 116 ppm are remarkable. The Se enrichment in roll-fronts (up to 168 ppm) is restricted to a narrow band of alteration at the interface between the barren oxidised core, and the highly mineralised reduced nose of the front. Te is depleted in roll-fronts with respect to the continental crust and other geological settings and deposits. S isotope compositions for pyrite in both the black shales and roll-fronts are very light and indicate precipitation by microbial sulphate reduction, suggesting that Se was microbially sequestered. Results show that Gwna Group black shales and U.S roll-front deposits contain marked elemental enrichments (particularly Se content). In Gwna Group black shales, Se and Te were

Investigation of transport properties of FeTe compound

NASA Astrophysics Data System (ADS)

Lodhi, Pavitra Devi; Solanki, Neha; Choudhary, K. K.; Kaurav, Netram

2018-05-01

Transport properties of FeTe parent compound has been investigated by measurements of electrical resistivity, magnetic susceptibility and Seebeck coefficient. The sample was synthesized through a standard solid state reaction route via vacuum encapsulation and characterized by x-ray diffraction, which indicated a tetragonal phase with space group P4/nmm. The parent FeTe compound does not exhibit superconductivity but shows an anomaly in the resistivity measurement at around 67 K, which corresponds to a structural phase transition along with in the vicinity of a magnetic phase transition. In the low temperature regime, Seebeck coefficient, S(T), exhibited an anomalous dip feature and negative throughout the temperature range, indicating electron-like charge carrier conduction mechanism.

Electrodeposited CuGa(Se,Te)2 thin-film prepared from sulfate bath

NASA Astrophysics Data System (ADS)

Oda, Yusuke; Minemoto, Takashi; Takakura, Hideyuki; Hamakawa, Yoshihiro

2006-09-01

CuGa(Se,Te)2 (CGST) thin films were prepared on a soda-lime glass substrate sputter coated with molybdenum by electrodeposition. The aqueous solution which contained CuSO4-5H2O, Ga2(SO4)3-19.3H2O, H2SeO3, H6TeO6, Li2SO4 and gelatin was adjusted to pH 2.6 with dilute H2SO4 and NaOH. It has been observed that (i) a crack-less and smooth CGST film with a composition close to the stoichiometric ratio was deposited at -600 mV (vs. Ag/AgCl) when Te was hardly included in the film and (ii) cracks and products on the surface increased with increasing Te content in the film. Annealing at 600 °C for 10 min improved the crystallinity of the as-deposited films.

New organoselenium compounds with intramolecular Se⋯O/ Se⋯H interactions: NMR and theoretical studies

NASA Astrophysics Data System (ADS)

Fragoso, Erick; Azpiroz, Ramón; Sharma, Pankaj; Espinosa-Pérez, Georgina; Lara-Ochoa, Francisco; Toscano, Alfredo; Gutierrez, Rene; Portillo, Oscar

2018-03-01

New 1,3-bis(phenylselanylmethyl)benzene (1, 2 and 4) and butyl phenylselane derivatives (3 and 5) are synthesized and full heteronuclear NMR characterization of these compounds are reported. Interestingly, NMR spectrum of compounds 2-5 show coupling of 1H and 13C signals of groups involved in intramolecular nonbonding interactions with 77Se. The coupling constants JH-Se and JC-Se are in the range 13.6-21.6 Hz and 28-49 Hz, respectively. For compounds 4 and 5, JH-Se coupling constants of formyl proton are smaller than their respective acetal sbnd CH protons for compounds 2 and 3. However, this trend is opposite for JC-Se coupling constants, indicating that in formyl group containing compounds 4 and 5, Se⋯O interactions are present while in compounds 2 and 3 with acetal fragments, Se⋯H interactions also could be present because of steric constraints. To confirm these interactions, quantum chemical analyses were performed for 2, 4 and 5. The minimal energy conformation for these compounds present Se⋯O/Se⋯H interactions and are at lower energy in comparison to different conformers which do not show any interaction. For compounds 4 and 5, minimal energy conformation present Se⋯O interactions and for compound 2, Se⋯H is the favored conformation. These results are in accordance with the NMR data for these compounds. X-ray crystal structure of compound 1,3-bis(phenylselanylmethyl)benzene (1) was also determined during this work. In order to understand the effect of the Se⋯O/Se⋯H interactions and the position of phenylselanylmethyl groups, quantum chemical analyses were also carried out for 1,4-bis(phenylselanylmethyl)benzene derivatives (6 and 7). Interestingly, minimal energy conformers of 1,3-bis(phenylselanylmethyl)benzene derivatives 2 and 4 are more stable than their corresponding conformers of 1,4-bis-(phenylselanylmethyl)benzene derivatives 6 and 7.1,3-bis[{(2-(diethoxymethyl)phenyl)selanyl}methyl]benzene (2) with an

Influence of Te and Se doping on ZnO films growth by SILAR method

NASA Astrophysics Data System (ADS)

Güney, Harun; Duman, Ćaǧlar

2016-04-01

The AIP Successive ionic layer adsorption and reaction (SILAR) is an economic and simple method to growth thin films. In this study, SILAR method is used to growth Selenium (Se) and Tellurium (Te) doped zinc oxide (ZnO) thin films with different doping rates. For characterization of the films X-ray diffraction (XRD), absorbance and scanning electron microscopy (SEM) are used. XRD results are showed well-defined strongly (002) oriented crystal structure for all samples. Also, absorbance measurements show, Te and Se concentration are proportional and inversely proportional with band gap energy, respectively. SEM measurements show that the surface morphology and thickness of the material varied with Se and/or Te and varying concentrations.

Influence of Te and Se doping on ZnO films growth by SILAR method

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

Güney, Harun, E-mail: harunguney25@hotmail.com; Duman, Çağlar, E-mail: caglarduman@erzurum.edu.tr

2016-04-18

The AIP Successive ionic layer adsorption and reaction (SILAR) is an economic and simple method to growth thin films. In this study, SILAR method is used to growth Selenium (Se) and Tellurium (Te) doped zinc oxide (ZnO) thin films with different doping rates. For characterization of the films X-ray diffraction (XRD), absorbance and scanning electron microscopy (SEM) are used. XRD results are showed well-defined strongly (002) oriented crystal structure for all samples. Also, absorbance measurements show, Te and Se concentration are proportional and inversely proportional with band gap energy, respectively. SEM measurements show that the surface morphology and thickness ofmore » the material varied with Se and/or Te and varying concentrations.« less

PAL spectroscopy of rare-earth doped Ga-Ge-Te/Se glasses

NASA Astrophysics Data System (ADS)

Shpotyuk, Ya.; Ingram, A.; Shpotyuk, O.

2016-04-01

Positron annihilation lifetime (PAL) spectroscopy was applied for the first time to study free-volume void evolution in chalcogenide glasses of Ga-Ge-Te/Se cut-section exemplified by glassy Ga10Ge15Te75 and Ga10Ge15Te72Se3 doped with 500 ppm of Tb3+ or Pr3+. The collected PAL spectra reconstructed within two-state trapping model reveal decaying tendency in positron trapping efficiency in these glasses under rare-earth doping. This effect results in unchanged or slightly increased defect-related lifetimes τ2 at the cost of more strong decrease in I2 intensities, as well as reduced positron trapping rate in defects and fraction of trapped positrons. Observed changes are ascribed to rare-earth activated elimination of intrinsic free volumes associated mainly with negatively-charged states of chalcogen atoms especially those neighboring with Ga-based polyhedrons.

Thermomagnetic and thermoelectric properties of semiconductors (PbTe, PbSe) at ultrahigh pressures

NASA Astrophysics Data System (ADS)

Ovsyannikov, Sergey V.; Shchennikov, Vladimir V.

2004-02-01

The longitudinal and transverse thermomagnetic Nernst-Ettingshausen (LNE, TNE) effects and the Maggi-Reghi-Leduc (MRL) effect were measured on PbTe and PbSe micro-samples at ultrahigh pressures upto 20 GPa. Values of the mobility of charge carriers as well as the scattering parameter were estimated both for the low- and high-pressure phase of PbTe and PbSe. At about 3 GPa, the maxima of both Nernst-Ettingshausen effects and magnetoresistance (MR) (and hence of the mobility of charge carriers μ), attributed to the gapless state of PbTe and PbSe were established. The TNE effect was found to be the largest among the effects measured, while the MRL was hardly visible even at the highest mobility values of the charge carriers. The possibilities for using thermomagnetic effects in micro-device technologies are discussed.

Transport Properties of ZnSe- ITO Hetero Junction

NASA Astrophysics Data System (ADS)

Ichibakase, Tsuyoshi

In this report, ITO(Indium Tin Oxide) was used on the glass substrates as the transparent electrode, and ZnSe layer was prepared by the vacuum deposition on this ITO. Then, the electrical characteristics of this sample were investigated by mans of the electric current transport analysis. The sample that ZnSe was prepared as 3.4 μm in case of ITO-ZnSe sample, has high density level at the junction surface. The ITO-ZnSe junction has two type of diffusion current. However, the ITO-ZnSe sample that ZnSe layer was prepared as 0.1 μm can be assumed as the ohmic contact, and ITO-ZnSe(0.1μm) -CdTe sample shows the avalanche breakdown, and it is considered that the avalanche breakdown occurs in CdTe layer. It is difficult to occur the avalanche breakdown, if ZnSe-CdTe junction has high-density level and CdTe layer has high-density defect. Hence, the ZnSe-CdTe sample that CdTe layer was prepared on ITO-ZnSe(0.1μm) substrate has not high-density level at the junction surface, and the CdTe layer with little lattice imperfection can be prepared. It found that ITO-ZnSe(0.1μm) substrate is available for the II-VI compounds semiconductor device through above analysis result.

Optical properties change in Te diffused As{sub 50}Se{sub 50} chalcogenide thin film

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

Naik, Ramakanta; Behera, M.; Panda, R.

2016-05-23

In the present report, we present the effect of Te diffusion into As{sub 50}Se{sub 50} thin film which changes the optical properties. The Te/As{sub 50}Se{sub 50} film was irradiated by a laser beam of 532 nm to study the diffusion mechanism due to photo induced effect. The As{sub 50}Se{sub 50}, Te/As{sub 50}Se{sub 50} films show a completely amorphous nature from X-ray diffraction study. A non direct transition was found for these films on the basis of optical transmission data carried out by Fourier Transform infrared Spectroscopy. The optical bandgap is found to be decreased with Te deposition and photo darkeningmore » phenomena is observed for the diffused film. The change in the optical constants are well supported by the corresponding change in different types of bonds which are being studied by X-ray photoelectron spectroscopy.« less

Surface State-Dominated Photoconduction and THz Generation in Topological Bi2Te2Se Nanowires

PubMed Central

2017-01-01

Topological insulators constitute a fascinating class of quantum materials with nontrivial, gapless states on the surface and insulating bulk states. By revealing the optoelectronic dynamics in the whole range from femto- to microseconds, we demonstrate that the long surface lifetime of Bi2Te2Se nanowires allows us to access the surface states by a pulsed photoconduction scheme and that there is a prevailing bolometric response of the surface states. The interplay of the surface and bulk states dynamics on the different time scales gives rise to a surprising physical property of Bi2Te2Se nanowires: their pulsed photoconductance changes polarity as a function of laser power. Moreover, we show that single Bi2Te2Se nanowires can be used as THz generators for on-chip high-frequency circuits at room temperature. Our results open the avenue for single Bi2Te2Se nanowires as active modules in optoelectronic high-frequency and THz circuits. PMID:28081604

Thermoelectric transport properties of PbTe-based composites incorporated with Cu2Se nano-inclusions

NASA Astrophysics Data System (ADS)

Guo, Haifeng; Xin, Hongxing; Qin, Xiaoying; Jian, Zhang; Li, Di; Li, Yuanyue; Li, Cong

2016-02-01

Thermoelectric transport properties of Lead telluride (PbTe)-based composites incorporated with Cuprous selenide (Cu2Se) nano-inclusions were investigated from 300 K to 800 K. Here, except for the transition from p-type to n-type conduction that occurs in pristine PbTe at ~530 K due to the difference of mobility between thermally electron and hole at high temperature, another transition from p-type to n-type conduction at 300 K with an increasing proportion of Cu2Se could be due to the donor levels introduced by defects and unsaturated bonds at the interfaces. Moreover, by incorporating a small proportion (5 vol.%) of Cu2Se nanoparticles into the PbTe matrix to form nano-composites, both a reduction (~55%) in lattice thermal conductivity and an enhanced electrical conductivity compared with that of pristine PbTe are obtained, which allows the thermoelectric power factor to reach a larger value (~11.2 μW cm-1 K-2). Consequently, a maximum value ZT  =  0.91 is obtained at 760 K in the PbTe-5 vol.% Cu2Se sample.

Secondary overprinting of S-Se-Te signatures in the Earth's mantle: Implications for the Late Veneer

NASA Astrophysics Data System (ADS)

Koenig, S.; Luguet, A.; Lorand, J.; Pearson, D.

2013-12-01

Sulphur, Selenium and Tellurium are both chalcophile and highly siderophile elements (HSE) with near-chondritic ratios and absolute abundances in the terrestrial mantle that exceed those predicted by core-mantle differentiation[1]. These 'excess' HSE abundances have been attributed to addition of ca. 0.5% of chondrite-like material that hit the Earth in its accretionary stage between 4 to 3.8 billion years ago after core-mantle differentiation (Late Veneer[2]). Therefore, like other HSE, S, Se and Te are considered potential tracers for the composition of the Late Veneer, provided that their bulk silicate Earth abundances are properly constrained. In contrast to ca. 250 ppm S, Se and Te are ultra-trace elements in the terrestrial mantle. Like all HSE, they are furthermore controlled by base metal sulphides (BMS) and micrometric platinum group minerals (PGMs)[3]. This strong control exerted by the host mineralogy and petrology on the S-Se-Te systematics at both the micro-scale and the whole-rock scale makes detailed mineralogical and petrological studies of BMS and PGM a pre-requisite to fully understand and accurately interpret the whole-rock signatures. Here we combine in-situ sulphide data and detailed mineralogical observations with whole-rock S-Se-Te-HSE signatures of both lherzolites and harburgites from different geodynamic settings. We demonstrate that the near-chondritic Se and Te signature of 'fertile' mantle rocks (Se/Te ≈9×5) is not a primitive signature of the Earth's mantle, but rather reflects strong enrichment in metasomatic HSE host phases, which erased previous pristine signatures. Consequently, current attempts to identify a potential Late Veneer composition are seriously flawed because, neither refertilisation/metasomatism nor true melt depletion (e.g. harzburgitic residues) have been taken into account for the Primitive Upper Mantle composition estimate[4]. Our combined whole rock and in-situ sulphide data indicate a refertilisation trend

Understanding the evolution of anomalous anharmonicity in Bi 2 Te 3 - x Se x

DOE PAGES

Tian, Yao; Jia, Shuang; Cava, R. J.; ...

2017-03-08

The anharmonic effect in thermoelectrics has been a central topic for decades in both condensed matter physics and material science. However, despite the long-believed strong and complex anharmonicity in the Bi 2Te 3-xSe x series, experimental verification of anharmonicity and its evolution with doping remains elusive. We fill this important gap with high-resolution, temperature-dependent Raman spectroscopy in high-quality single crystals of Bi 2Te, Bi 2Te 2Se , and Bi 2Se 3 over the temperature range from 4 to 293 K. Klemens's model was employed to explain the renormalization of their phonon linewidths. The phonon energies of Bi 2Se 3 andmore » Bi 2Te 3 are analyzed in detail from three aspects: lattice expansion, cubic anharmonicity, and quartic anharmonicity. For the first time, we explain the evolution of anharmonicity in various phonon modes and across the series. Lastly, in particular, we find that the interplay between cubic and quartic anharmonicity is governed by their distinct dependence on the phonon density of states, providing insights into anomalous anharmonicity designing of new thermoelectrics.« less

Structural and compositional dependence of the CdTexSe 1-x alloy layer photoactivity in CdTe-based solar cells

DOE PAGES

Poplawsky, Jonathan D.; Guo, Wei; Paudel, Naba; ...

2016-07-27

The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTe xSe 1₋x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTe xSe 1₋x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTe xSe 1₋xmore » alloy with respect to the degree of Se diffusion. Finally, the results show that the CdTe xSe 1₋x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations.« less

Surface state-dominated photoconduction and THz-generation in topological Bi2Te2Se-nanowires

NASA Astrophysics Data System (ADS)

Seifert, Paul; Vaklinova, Kristina; Kern, Klaus; Burghard, Marko; Holleitner, Alexander

Topological insulators constitute a fascinating class of quantum materials with non-trivial, gapless states on the surface and trivial, insulating bulk states. In revealing the optoelectronic dynamics in the whole range from femto- to microseconds, we demonstrate that the long surface lifetime of Bi2Te2Se-nanowires allows to access the surface states by a pulsed photoconduction scheme and that there is a prevailing bolometric response of the surface states. The interplay of the surface state dynamics on the different timescales gives rise to a surprising physical property of Bi2Te2Se-nanowires: their pulsed photoconductance changes polarity as a function of laser power. Moreover, we show that single Bi2Te2Se-nanowires can be used as THz-generators for on-chip high-frequency circuits at room temperature. Our results open the avenue for single Bi2Te2Se-nanowires as active modules in optoelectronic high-frequency and THz-circuits. We acknowledge financial support by the ERC Grant NanoReal (n306754).

Synthesis and characterization of FeSe1-xTex (x=0, 0.5, 1) superconductors

NASA Astrophysics Data System (ADS)

Zargar, Rayees A.; Hafiz, A. K.; Awana, V. P. S.

2015-08-01

In this study, FeTe1-xSex (x=0,0.5,1) samples were prepared by conventional solid state reaction method and investigated by powder XRD, SEM, Raman and resistivity measurement techniques to reveal the effect of tellurium (Te) substitution in FeSe matrix. Rietveld analysis was performed on room temperature recorded, X-ray diffraction (XRD) patterns of pure FeSe, FeTe and FeSe0.5Te0.5 which shows that all the compounds are crystallized in a tetragonal structure. SEM images show the dense surface morphology. Raman spectra recorded in the range from 100 to 700 cm-1 at ambient temperature has been interpreted by P4/nmm space group of the lattice. The variation in intensity and shift in peak positions of some phonon modes has been discussed on the basis of variation in crystalline field effect by substituting Te in FeSe lattice. The resistivity versus temperature curves reveals that FeSe becomes superconductor at 7 K and FeSe0.5Te0.5 shows superconductivity below 14 K while FeTe is non-superconducting compound.

Tuning of thermoelectric properties with changing Se content in Sb2Te3

NASA Astrophysics Data System (ADS)

Das, D.; Malik, K.; Deb, A. K.; Kulbachinskii, V. A.; Kytin, V. G.; Chatterjee, S.; Das, D.; Dhara, S.; Bandyopadhyay, S.; Banerjee, A.

2016-02-01

Polycrystalline Sb2Te3-x Se x (0.0≤ x≤1.0) samples were synthesized by the solid-state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess rhombohedral crystal symmetry (space group R\\bar{3}m ). The increase of Se content increases the resistivity of the samples. The variation of phonon frequencies, observed from the Raman spectroscopic study, depicts an anomalous behaviour around x=0.2 . The sample Sb2Te2.8Se0.2 also shows maximum Seebeck coefficient, carrier concentration and thermoelectric power factor. The nature of the scattering mechanism controlling the thermopower data has been explored. The thermoelectric properties of the synthesized materials have been analyzed theoretically in the frame of the Boltzmann equation approach.

Study of optical properties of vacuum evaporated carbon nanotube containing Se80Te16Cu4 thin films

NASA Astrophysics Data System (ADS)

Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

2016-08-01

Thin films of Se80Te16Cu4 glassy alloy and 3 wt.% of carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composite were deposited on clean glass substrate by thermal evaporation technique. The scanning electron microscope and energy dispersive x-ray analysis were performed to investigate the surface morphology and elemental composition of as synthesised samples. The reflectance and transmittance spectra of as-deposited thin films were recorded (200-1100 nm) by using UV/VIS/NIR spectrophotometer. The optical band gap and optical constants such as absorption coefficient (α), refractive index (n) and extinction coefficient (k) of Se80Te16Cu4 and 3 wt.% CNTs-Se80Te16Cu4 glassy composite thin films were calculated. It is observed that optical properties alter due to CNTs incorporation in Se80Te16Cu4 glassy alloy. Effect on optical properties due to CNTs incorporation can be explained in terms of concentration of unsaturated bonds/defects in the localised states.

Exploring the doping effects of Ag in p-type PbSe compounds with enhanced thermoelectric performance

NASA Astrophysics Data System (ADS)

Wang, Shanyu; Zheng, Gang; Luo, Tingting; She, Xiaoyu; Li, Han; Tang, Xinfeng

2011-11-01

In this study, we prepared a series of Ag-doped PbSe bulk materials by a melting-quenching process combined with a subsequent spark plasma sintering process, and systematically investigated the doping effects of Ag on the thermoelectric properties. Ag substitution in the Pb site does not introduce resonant levels near the valence band edge or detectable change in the density of state in the vicinity of the Fermi level, but moves the Fermi level down and increases the carrier concentration to a maximum value of ~4.7 × 1019 cm-3 which is still insufficient for heavily doped PbSe compounds. Nonetheless, the non-monotonic variation in carrier concentration with increasing Ag content indicates that Ag doping reaches the solution limit at ~1.0% and the excessive Ag presumably acts as donors in the materials. Moreover, the large energy gap of the PbSe-based material wipes off significant 'roll-over' in the Seebeck coefficient at elevated temperatures which gives rise to high power factors, being comparable to p-type Te analogues. Consequently, the maximum ZT reaches ~1.0 for the 1.5% Ag-doped samples with optimized carrier density, which is ~70% improvement in comparison with an undoped sample and also superior to the commercialized p-type PbTe materials.

Highly Enhanced Fluorescence of CdSeTe Quantum Dots Coated with Polyanilines via In-Situ Polymerization and Cell Imaging Application.

PubMed

Xue, Jingjing; Chen, Xinyi; Liu, Shanglin; Zheng, Fenfen; He, Li; Li, Lingling; Zhu, Jun-Jie

2015-09-02

The polyaniline (PAN)-coated CdSeTe quantum dots (QDs) were prepared by in situ polymerization of aniline on the surface of CdSeTe QDs. The PAN-coated CdSeTe QDs has a tremendously enhanced fluorescence (∼40 times) and improved biocompatibility compared to the uncoated CdSeTe QDs. The fluorescence intensity of the PAN-coated CdSeTe QDs can be adjusted by controlling the construction parameters of the PAN shell. The kinetics of the in situ controllable polymerization process was studied by varying the temperature, and the apparent activation energy of polymerization was estimated. With the same method, a series of the PAN derivatives were also tested to coat the CdSeTe QDs in this study. All the QDs showed a significant enhancement of the fluorescence intensity and better biocompatibility. The significantly enhanced fluorescence can provide highly amplified signal for luminescence-based cell imaging.

Impact of Antibody Bioconjugation on Emission and Energy Band Profile of CdSeTe/ZnS Quantum Dots

NASA Astrophysics Data System (ADS)

Torchynska, T. V.; Gomez, J. A. Jaramillo; Polupan, G.; Macotela, L. G. Vega

2018-03-01

The variation of the photoluminescence (PL) and Raman scattering spectra of CdSeTe/ZnS quantum dots (QDs) on conjugation to an antibody has been investigated. Two types of CdSeTe/ZnS QD with different emission wavelength (705 nm and 800 nm) were studied comparatively before and after conjugation to anti-pseudorabies virus antibody (AB). Nonconjugated QDs were characterized by Gaussian-type PL bands. PL shifts to higher energy and asymmetric shape of PL bands was detected in PL spectra of bioconjugated QDs. The surface-enhanced Raman scattering effect was exhibited by the bioconjugated CdSeTe/ZnS QDs, indicating that the excitation light used in the Raman study generated electric dipoles in the AB molecules. The optical bandgap of the CdSeTe core was calculated numerically as a function of its radius based on an effective mass approximation model. The energy band diagrams for non- and bioconjugated CdSeTe/ZnS QDs were obtained, revealing a type II quantum well in the CdSeTe core. The calculations show that AB dipoles, excited in the bioconjugated QDs, stimulate a change in the energy band diagram of the QDs that alters the PL spectrum. These results could be useful for improving the sensitivity of QD biosensors.

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.

Effect of Se substitution on the phase change properties of Ge2Sb2Te5

NASA Astrophysics Data System (ADS)

Shekhawat, Roopali; Rangappa, Ramanna; Gopal, E. S. R.; Ramesh, K.

2018-05-01

Ge2Sb2Te5 popularly known as GST is being explored for non-volatile phase change random access memory(PCRAM) applications. Under high electric field, thin films of amorphous GST undergo a phase change from amorphous to crystalline with a high contrast in electrical resistivity (about 103). The phase change is between amorphous and metastable NaCl structure occurs at about 150°C and not to the stable hexagonal phase which occurs at a high temperature (> 250 °C). In GST, about 50 % of Te substituted by Se (Ge2Sb2Te2.5Se2.5) is found to increase the contrast in electrical resistivity by 7 orders of magnitude (about 4 orders of magnitude higher than GST). The phase transition in Se added GST also found to be between amorphous and the stable hexagonal structure. The threshold voltage at which the Ge2Sb2Te2.5Se2.5 switches to the high conducting state increases to 9V as compared to 2V in GST. Interestingly, the threshold current decrease to 1mA as compared to 1.8mA in GST indicating the Se substitution reduces the power needed for switching between the low and high conducting states. The reduction in power needed for phase change, high contrast in electrical resistivity with high thermal stability makes Ge2Sb2Te2.5Se2.5 as a better candidate for PCRAM.

Metal-free inorganic ligands for colloidal nanocrystals: S2-, HS-, Se2-, HSe-, Te2-, HTe-, TeS3(2-), OH-, and NH2- as surface ligands.

PubMed

Nag, Angshuman; Kovalenko, Maksym V; Lee, Jong-Soo; Liu, Wenyong; Spokoyny, Boris; Talapin, Dmitri V

2011-07-13

All-inorganic colloidal nanocrystals were synthesized by replacing organic capping ligands on chemically synthesized nanocrystals with metal-free inorganic ions such as S(2-), HS(-), Se(2-), HSe(-), Te(2-), HTe(-), TeS(3)(2-), OH(-) and NH(2)(-). These simple ligands adhered to the NC surface and provided colloidal stability in polar solvents. The versatility of such ligand exchange has been demonstrated for various semiconductor and metal nanocrystals of different size and shape. We showed that the key aspects of Pearson's hard and soft acids and bases (HSAB) principle, originally developed for metal coordination compounds, can be applied to the bonding of molecular species to the nanocrystal surface. The use of small inorganic ligands instead of traditional ligands with long hydrocarbon tails facilitated the charge transport between individual nanocrystals and opened up interesting opportunities for device integration of colloidal nanostructures.

Kinetically Controlled Formation and Decomposition of Metastable [(BiSe) 1+δ] m[TiSe 2] m Compounds

DOE PAGES

Lygo, Alexander C.; Hamann, Danielle M.; Moore, Daniel B.; ...

2018-02-12

We report that preparing homologous series of compounds allows chemists to rapidly discover new compounds with predictable structure and properties. Synthesizing compounds within such a series involves navigating a free energy landscape defined by the interactions within and between constituent atoms. Historically, synthesis approaches are typically limited to forming only the most thermodynamically stable compound under the reaction conditions. Presented here is the synthesis, via self-assembly of designed precursors, of isocompositional incommensurate layered compounds [(BiSe) 1+δ] m[TiSe 2] m with m = 1, 2, and 3. The structure of the BiSe bilayer in the m = 1 compound is notmore » that of the binary compound, and this is the first example of compounds where a BiSe layer thicker than a bilayer in heterostructures has been prepared. Specular and in-plane X-ray diffraction combined with high-resolution electron microscopy data was used to follow the formation of the compounds during low-temperature annealing and the subsequent decomposition of the m = 2 and 3 compounds into [(BiSe) 1+δ]1[TiSe 2] 1 at elevated temperatures. These results show that the structure of the precursor can be used to control reaction kinetics, enabling the synthesis of kinetically stable compounds that are not accessible via traditional techniques. Lastly, the data collected as a function of temperature and time enabled us to schematically construct the topology of the free energy landscape about the local free energy minima for each of the products.« less

Kinetically Controlled Formation and Decomposition of Metastable [(BiSe) 1+δ] m[TiSe 2] m Compounds

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

Lygo, Alexander C.; Hamann, Danielle M.; Moore, Daniel B.

We report that preparing homologous series of compounds allows chemists to rapidly discover new compounds with predictable structure and properties. Synthesizing compounds within such a series involves navigating a free energy landscape defined by the interactions within and between constituent atoms. Historically, synthesis approaches are typically limited to forming only the most thermodynamically stable compound under the reaction conditions. Presented here is the synthesis, via self-assembly of designed precursors, of isocompositional incommensurate layered compounds [(BiSe) 1+δ] m[TiSe 2] m with m = 1, 2, and 3. The structure of the BiSe bilayer in the m = 1 compound is notmore » that of the binary compound, and this is the first example of compounds where a BiSe layer thicker than a bilayer in heterostructures has been prepared. Specular and in-plane X-ray diffraction combined with high-resolution electron microscopy data was used to follow the formation of the compounds during low-temperature annealing and the subsequent decomposition of the m = 2 and 3 compounds into [(BiSe) 1+δ]1[TiSe 2] 1 at elevated temperatures. These results show that the structure of the precursor can be used to control reaction kinetics, enabling the synthesis of kinetically stable compounds that are not accessible via traditional techniques. Lastly, the data collected as a function of temperature and time enabled us to schematically construct the topology of the free energy landscape about the local free energy minima for each of the products.« less

Theoretical and experimental studies on wide-band-gap p-type conductive BaCuSeF and related compounds

NASA Astrophysics Data System (ADS)

Sakakima, Hiroshi; Nishitani, Mikihiko; Yamamoto, Koichi; Wada, Takahiro

2015-08-01

BaCuSeF and related compounds, MCuQF (M = Ba, Sr; Q = Se, S), are known to show p-type conduction. The formation energies of the Cu vacancy ΔH[VCu] in a MCuQF system were computed by first-principles calculation with a generalized gradient approximation (GGA) of the Perdew-Burke-Ernzerhof (PBE) functional as an electron exchange and correlation functional. The density of states (DOS) of BaCuSeF was calculated with the hybrid functional of Heyd-Scuseria-Ernzerhof (HSE) 06. ΔH[VCu] was found to be very small under both the Cu- and Q-rich conditions, which probably contributes to p-type conduction. The electronic structure of BaCuSeF was studied by X-ray photoelectron spectroscopy (XPS) with UV photoelectron yield spectroscopy (UVPYS) and photoemission yield spectroscopy (PYS). The determined depth of the top of the valence band relative to the vacuum level was about 4.9 eV. This value is desirable for applications in compound semiconductor thin-film tandem solar cells since the absorbers of polycrystalline thin-film solar cells, such as CdTe and Cu(In,Ga)Se2, are p-type semiconductors. The DOS of BaCuSeF calculated with the HSE06 functional was almost consistent with the XPS spectrum.

Ultra-low thermal conductivity of TlIn5Se8 and structure of the new complex chalcogenide Tl0.98In13.12Se16.7Te2.3

NASA Astrophysics Data System (ADS)

Lefèvre, Robin; Berthebaud, David; Pérez, Olivier; Pelloquin, Denis; Boudin, Sophie; Gascoin, Franck

2017-06-01

TlIn5Se8 has been synthesized by means of solid-state reaction and densified by Spark Plasma Sintering. The compound is a semiconductor with a band gap of 1.62 eV estimated from reflectance measurements. Its thermal conductivity is about 0.45 W m-1. K-1 in the temperature range 300-673 K, an extremely low value attributed to its complex pseudo-1D structure reminiscent of the pseudo-hollandite. While attempting to dope TlIn5Se8 with Te, a new complex chalcogenide was discovered and characterized by the combination of TEM and XRD diffraction. It belongs to the A2In12X19 family, crystallizing in the R 3 ̅:H space group. Single crystal X-ray diffraction study led to a refined composition of Tl0.98In13.12Se16.7Te2.3 with cell parameters: a=13.839(5) Å and c=35.18(3) Å. A static disorder is found on one indium site situated in an octahedral environment. The single crystal XRD study is in agreement with TEM analyses in STEM-HAADF image mode that do not show any extended defects or disorder at atomic scale.

NIR-Emitting Alloyed CdTeSe QDs and Organic Dye Assemblies: A Nontoxic, Stable, and Efficient FRET System.

PubMed

Ramírez-Herrera, Doris E; Rodríguez-Velázquez, Eustolia; Alatorre-Meda, Manuel; Paraguay-Delgado, Francisco; Tirado-Guízar, Antonio; Taboada, Pablo; Pina-Luis, Georgina

2018-04-11

In the present work, we synthesize Near Infrared (NIR)-emitting alloyed mercaptopropionic acid (MPA)-capped CdTeSe quantum dots (QDs) in a single-step one-hour process, without the use of an inert atmosphere or any pyrophoric ligands. The quantum dots are water soluble, non-toxic, and highly photostable and have high quantum yields (QYs) up to 84%. The alloyed MPA-capped CdTeSe QDs exhibit a red-shifted emission, whose color can be tuned between visible and NIR regions (608-750 nm) by controlling the Te:Se molar ratio in the precursor mixtures and/or changing the time reaction. The MPA-capped QDs were characterized by UV-visible absorption spectroscopy, fluorescence spectroscopy, transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and zeta potential measurements. Photostability studies were performed by irradiating the QDs with a high-power xenon lamp. The ternary MPA-CdTeSe QDs showed greater photostability than the corresponding binary MPA-CdTe QDs. We report the Förster resonance energy transfer (FRET) from the MPA-capped CdTeSe QDs as energy donors and Cyanine5 NHS-ester (Cy5) dye as an energy acceptor with efficiency ( E ) up to 95%. The distance between the QDs and dye ( r ), the Förster distance ( R ₀), and the binding constant ( K ) are reported. Additionally, cytocompatibility and cell internalization experiments conducted on human cancer cells (HeLa) cells revealed that alloyed MPA-capped CdTeSe QDs are more cytocompatible than MPA-capped CdTe QDs and are capable of ordering homogeneously all over the cytoplasm, which allows their use as potential safe, green donors for biological FRET applications.

NIR-Emitting Alloyed CdTeSe QDs and Organic Dye Assemblies: A Nontoxic, Stable, and Efficient FRET System

PubMed Central

Ramírez-Herrera, Doris E.; Rodríguez-Velázquez, Eustolia; Alatorre-Meda, Manuel; Paraguay-Delgado, Francisco; Tirado-Guízar, Antonio; Taboada, Pablo; Pina-Luis, Georgina

2018-01-01

In the present work, we synthesize Near Infrared (NIR)-emitting alloyed mercaptopropionic acid (MPA)-capped CdTeSe quantum dots (QDs) in a single-step one-hour process, without the use of an inert atmosphere or any pyrophoric ligands. The quantum dots are water soluble, non-toxic, and highly photostable and have high quantum yields (QYs) up to 84%. The alloyed MPA-capped CdTeSe QDs exhibit a red-shifted emission, whose color can be tuned between visible and NIR regions (608–750 nm) by controlling the Te:Se molar ratio in the precursor mixtures and/or changing the time reaction. The MPA-capped QDs were characterized by UV-visible absorption spectroscopy, fluorescence spectroscopy, transmission electron microscopy (TEM), energy dispersive X-ray spectroscopy (EDS), and zeta potential measurements. Photostability studies were performed by irradiating the QDs with a high-power xenon lamp. The ternary MPA-CdTeSe QDs showed greater photostability than the corresponding binary MPA-CdTe QDs. We report the Förster resonance energy transfer (FRET) from the MPA-capped CdTeSe QDs as energy donors and Cyanine5 NHS-ester (Cy5) dye as an energy acceptor with efficiency (E) up to 95%. The distance between the QDs and dye (r), the Förster distance (R0), and the binding constant (K) are reported. Additionally, cytocompatibility and cell internalization experiments conducted on human cancer cells (HeLa) cells revealed that alloyed MPA-capped CdTeSe QDs are more cytocompatible than MPA-capped CdTe QDs and are capable of ordering homogeneously all over the cytoplasm, which allows their use as potential safe, green donors for biological FRET applications. PMID:29641435

To study the linear and nonlinear optical properties of Se-Te-Bi-Sn/PVP (polyvinylpyrrolidone) nanocomposites

NASA Astrophysics Data System (ADS)

Tyagi, Chetna; Yadav, Preeti; Sharma, Ambika

2018-05-01

The present work reveals the optical study of Se82Te15Bi1.0Sn2.0/polyvinylpyrrolidone (PVP) nanocomposites. Bulk glasses of chalcogenide was prepared by well-known melt quenching technique. Wet chemical technique is proposed for making the composite of Se82Te15Bi1.0Sn2.0 and PVP polymer as it is easy to handle and cost effective. The composites films were made on glass slide from the solution of Se-Te-Bi-Sn and PVP polymer using spin coating technique. The transmission as well as absorbance is recorded by using UV-Vis-NIR spectrophotometer in the spectral range 350-700 nm. The linear refractive index (n) of polymer nanocomposites are calculated by Swanepoel approach. The linear refractive index (n) PVP doped Se82Te15Bi1.0Sn2.0 chalcogenide is found to be 1.7. The optical band gap has been evaluated by means of Tauc extrapolation method. Tichy and Ticha model was utilized for the characterization of nonlinear refractive index (n2).

Crystal growth of ZnSe and related ternary compound semiconductors by physical vapor transport

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

1993-01-01

The materials to be investigated are ZnSe and related ternary semiconducting alloys (e.g., ZnS(x)Se(1-x), ZnTe(x)Se(1-x), and Zn(1-x)Cd(x)Se). These materials are useful for opto-electronic applications such as high efficient light emitting diodes and low power threshold and high temperature lasers in the blue-green region of the visible spectrum. The recent demonstration of its optical bistable properties also makes ZnSe a possible candidate material for digital optical computers. The investigation consists of an extensive ground-based study followed by flight experimentation, and involves both experimental and theoretical work. The objectives of the ground-based work are to establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low gravity environment and to obtain the experimental data and perform the analyses required to define the optimum parameters for the flight experiments. During the six months of the Preliminary Definition Phase, the research efforts were concentrated on the binary compound ZnSe - the purification of starting materials of Se by zone refining, the synthesis of ZnSe starting materials, the heat treatments of the starting materials, the vapor transport rate measurements, the vapor partial pressure measurements of ZnSe, the crystal growth of ZnSe by physical vapor transport, and various characterization on the grown ZnSe crystals.

Effects of Pnictogen Atmosphere Annealing on Fe1+yTe0.6Se0.4

NASA Astrophysics Data System (ADS)

Yamada, Tatsuhiro; Sun, Yue; Pyon, Sunseng; Tamegai, Tsuyoshi

2016-02-01

It has been clarified that bulk superconductivity in Fe1+yTe0.6Se0.4 can be induced by annealing in an appropriate atmosphere to remove the harmful effects of excess iron. In order to clarify the details of the annealing process, we studied the changes in the physical properties and reaction products of Fe1+yTe0.6Se0.4 annealed in pnictogen (P, As, Sb) atmospheres. Crystals annealed in a pnictogen atmosphere show bulk superconductivity and the values of Tc and Jc are about 14 K and (2-4) × 105 A/cm2 (2 K, self-field), respectively. It is also found that the reaction rate increases with the increase in the saturated vapor pressure of the pnictogen. Unexpectedly, the reaction products of Fe1+yTe0.6Se0.4 after annealing in a P atmosphere mainly consist of FeTe2. In addition, the amount of P required to obtain the optimal Tc is much smaller than the amount of excess iron, which is similar to the case of oxygen annealing. P, oxygen, and to some extent As could serve as catalysts to form FeTe2 to remove excess iron.

Hc2(0) and the Kondo Effect in FeSe0.1Te0.9 Epitaxial Films

NASA Astrophysics Data System (ADS)

Cornell, Nicholas; Zakhidov, Anvar; Jaime, Marcelo; Huang, Jijie; Wang, Hayan; Salamon, Myron

2015-03-01

High-quality, [001]-oriented epitaxial films of FeSe0.1Te0.9 have been grown on SrTiO3. They are found to have increased critical temperatures and critical fields relative to both bulk samples and thin films of the sister compound, FeSe0.5Te0.5. Critical field values in excess of 114 T have been reported based on WHH theory. In addition to these improved properties, most samples show resistance minima above Tc, reminiscent of the Kondo effect, presumably from excess Fe. We report results of a high field investigation of these thin films that reveals an empirical zero-temperature value of Hc2(0) ~ 46 T along [001], significantly less than the WHH estimate, but still exceeding the maximum strong coupling correction to the Pauli limit. Large negative magnetoresistance above the critical field confirms the presence of Kondo behavior in the normal state and persists without saturation up to 60 T. Why the measured critical field exceeds the paramagnetic limit remains a question. However, a Kondo temperature that exceeds the superconducting Tc can lead to overestimated WHH upper critical fields and could explain the wide variation in Tc and Hc2 among the ``11'' iron chalcogenides.

Chevrel-phase solid solution Mo 6Se 8- xTe x. Study of its superconducting, magnetic and NMR properties

NASA Astrophysics Data System (ADS)

Hamard1a, C.; Auffret, V.; Peña, O.; Le Floch, M.; Nowak, B.; Wojakowski, A.

2000-09-01

The Chevrel-phase solid solution Mo 6Se 8-Mo 6Te 8 was studied by X-ray diffraction, AC and DC magnetic susceptibility and 77Se and 125Te NMR spectroscopy. From the smooth evolution of the lattice parameters and superconducting critical temperatures, a progressive substitution of selenium atoms by tellurium is shown, on the whole range of composition 0⩽ x⩽8, in the formulation Mo 6Se 8- xTe x: the unit-cell volume increases linearly because of the larger ionic size of tellurium, while Tc decreases rapidly (from 6.45 down to 0 K) because of the different formal oxidation states of the anions and a probable evolution of the Fermi level in the density of states. Results of magnetic susceptibility support this model and suggest the inhibition of the intrinsic metallic behavior with increasing x. The NMR spectra of the binaries Mo 6Se 8 and Mo 6Te 8 reveal two significant features, attributed to two different chalcogen positions in the R 3¯ symmetry. At low Se contents in Mo 6Se 8- xTe x ( x=7.5, 7 and 6), selenium first fills the two X(2) sites along the three-fold axis (2c positions), and then it becomes statistically distributed over the general 6f positions, leading to broad 77Se NMR lines. On the other hand, substitution of Te atoms in Mo 6Se 8 seems to occur in a random way, creating large perturbations on the 125Te NMR spectra, over the whole range of x. Theoretical analysis based on the presence of two anisotropic lines (of axial and non-axial symmetries, respectively) allowed us to estimate their anisotropy factors and to perfectly simulate the frequency response of both Mo 6Se 8 and Mo 6Te 8 binaries. Analysis of the Knight shift anisotropy leads us to conclude about the importance of the molybdenum z 2 molecular orbital contribution which controls the Mo-X dipolar interactions.

High Compositional Homogeneity of CdTe xSe 1-x Crystals Grown by the Bridgman Method

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

Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.

2015-02-03

We obtained high-quality CdTe xSe 1-x (CdTeSe) crystals from ingots grown by the vertical Bridgman technique. The compositional uniformity of the ingots was evaluated by X-ray fluorescence at BNL’s National Synchrotron Light Source X27A beam line. The resulting compositional homogeneity was highly uniform throughout the ingot, and the effective segregation coefficient of Se was ~1.0. This uniformity offers potential opportunity to enhance the yield of the materials for both infrared substrate and radiation-detector applications, so greatly lowering the cost of production and also offering us the prospect to grow large-diameter ingots for use as large-area substrates and for producing highermore » efficiency gamma-ray detectors. The concentration of secondary phases was found to be much lower, by eight- to ten fold compared to that of conventional Cd xZn 1-xTe (CdZnTe or CZT).« less

Superconductivity and charge density wave in ZrTe 3–xSe x

DOE PAGES

Zhu, Xiangde; Ning, Wei; Li, Lijun; ...

2016-06-02

Charge density wave (CDW), the periodic modulation of the electronic charge density, will open a gap on the Fermi surface that commonly leads to decreased or vanishing conductivity. On the other hand superconductivity, a commonly believed competing order, features a Fermi surface gap that results in infinite conductivity. Here we report that superconductivity emerges upon Se doping in CDW conductor ZrTe 3 when the long range CDW order is gradually suppressed. Superconducting critical temperature T c(x) in ZrTe 3–xSe x (0 ≤ x ≤ 0.1) increases up to 4 K plateau for 0.04 ≤ x ≤ 0.07. Further increase inmore » Se content results in diminishing T c and filametary superconductivity. The CDW modes from Raman spectra are observed in x = 0.04 and 0.1 crystals, where signature of ZrTe 3 CDW order in resistivity vanishes. As a result, the electronic-scattering for high T c crystals is dominated by local CDW fluctuations at high temperatures, the resistivity is linear up to highest measured T = 300 K and contributes to substantial in-plane anisotropy.« less

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

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Ramachandran, N.

2013-01-01

Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Annealing effect on thermal conductivity and microhardness of carbon nanotube containing Se80Te16Cu4 glassy composites

NASA Astrophysics Data System (ADS)

Upadhyay, A. N.; Tiwari, R. S.; Singh, Kedar

2018-02-01

This study deals with the effect of thermal annealing on structural/microstructural, thermal and mechanical behavior of pristine Se80Te16Cu4 and carbon nanotubes (CNTs) containing Se80Te16Cu4 glassy composites. Pristine Se80Te16Cu4, 3 and 5 wt%CNTs-Se80Te16Cu4 glassy composites are annealed in the vicinity of glass transition temperature to onset crystallization temperature (340-380 K). X-ray diffraction (XRD) pattern revealed formation of polycrystalline phases of hexagonal CuSe and trigonal selenium. The indexed d-values in XRD patterns are in well conformity with the d-values obtained after the indexing of the ring pattern of selected area electron diffraction pattern of TEM images. The SEM investigation exhibited that the grain size of the CNTs containing Se80Te16Cu4 glassy composites increased with increasing annealing temperature and decreased at further higher annealing temperature. Thermal conductivity, microhardness exhibited a substantial increase with increasing annealing temperature of 340-360 K and slightly decreases for 380 K. The variation of thermal conductivity and microhardness can be explained by cross-linking formation and voids reduction.

First-principles study of the amorphous In3SbTe2 phase change compound

NASA Astrophysics Data System (ADS)

Los, Jan H.; Kühne, Thomas D.; Gabardi, Silvia; Bernasconi, Marco

2013-11-01

Ab initio molecular dynamics simulations based on density functional theory were performed to generate amorphous models of the phase change compound In3SbTe2 by quenching from the melt. In-Sb and In-Te are the most abundant bonds with only a minor fraction of Sb-Te bonds. The bonding geometry in the amorphous phase is, however, strongly dependent on the density in the range 6.448-5.75 g/cm3 that we investigated. While at high density the bonding geometry of In atoms is mostly octahedral-like as in the cubic crystalline phase of the ternary compound In3SbTe2, at low density we observed a sizable fraction of tetrahedral-like geometries similar to those present in the crystalline phase of the two binary compounds InTe and InSb that the ternary system can be thought to be made of. We show that the different ratio between octahedral-like and tetrahedral-like bonding geometries has fingerprints in the optical and vibrational spectra.

Stellar laboratories . IX. New Se v, Sr iv-vii, Te vi, and I vi oscillator strengths and the Se, Sr, Te, and I abundances in the hot white dwarfs G191-B2B and RE 0503-289

NASA Astrophysics Data System (ADS)

Rauch, T.; Quinet, P.; Knörzer, M.; Hoyer, D.; Werner, K.; Kruk, J. W.; Demleitner, M.

2017-10-01

Context. To analyze spectra of hot stars, advanced non-local thermodynamic equilibrium (NLTE) model-atmosphere techniques are mandatory. Reliable atomic data is crucial for the calculation of such model atmospheres. Aims: We aim to calculate new Sr iv-vii oscillator strengths to identify for the first time Sr spectral lines in hot white dwarf (WD) stars and to determine the photospheric Sr abundances. To measure the abundances of Se, Te, and I in hot WDs, we aim to compute new Se v, Te vi, and I vi oscillator strengths. Methods: To consider radiative and collisional bound-bound transitions of Se v, Sr iv - vii, Te vi, and I vi in our NLTE atmosphere models, we calculated oscillator strengths for these ions. Results: We newly identified four Se v, 23 Sr v, 1 Te vi, and three I vi lines in the ultraviolet (UV) spectrum of RE 0503-289. We measured a photospheric Sr abundance of 6.5+ 3.8-2.4× 10-4 (mass fraction, 9500-23 800 times solar). We determined the abundances of Se (1.6+ 0.9-0.6× 10-3, 8000-20 000), Te (2.5+ 1.5-0.9× 10-4, 11 000-28 000), and I (1.4+ 0.8-0.5× 10-5, 2700-6700). No Se, Sr, Te, and I line was found in the UV spectra of G191-B2B and we could determine only upper abundance limits of approximately 100 times solar. Conclusions: All identified Se v, Sr v, Te vi, and I vi lines in the UV spectrum of RE 0503-289 were simultaneously well reproduced with our newly calculated oscillator strengths. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26666. Based on observations made with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer. Full Tables A.15 to A.21 are only available via the German Astrophysical Virtual Observatory (GAVO) service TOSS (http://dc.g-vo.org/TOSS).

Structure and thermoelectric property of Te doped paracostibite CoSb1-xTexS compounds

NASA Astrophysics Data System (ADS)

You, Yonghui; Su, Xianli; Liu, Wei; Yan, Yonggao; Fu, Jiefei; Cheng, Xin; Zhang, Cheng; Tang, Xinfeng

2018-06-01

Paracostibite (CoSbS), a newly developed thermoelectric material, has aroused lots of interest due to its highly earth abundant and inexpensive constituent elements and potential application for thermoelectric power generation in the intermediate temperature range. Herein, a series of CoSb1-xTexS (x = 0-0.09) compounds were prepared by vacuum melting and annealing followed by SPS processing, and the effects of Te doping on the structure and thermoelectric properties were systematically investigated. Doping Te on the Sb site increases the carrier concentration up to 7.24 × 1020 cm-3 for CoSb0.93Te0.07S compound which is several orders of magnitude higher than that of un-doped CoSbS, and enhances the power factor. The maximum power factor of 14.07 μW cm-1 K-2 is attained at 900 K. Concomitantly, doping with Te on the Sb site leads to effective scattering of heat carrying phonon, accompanying with a strong suppression of the thermal conductivity with the increase of Te content, resulting in an increase of the ZT. A maximum ZT of 0.43 at 900 K is attained for CoSb0.93Te0.07S compound, which is 139% higher than that of un-doped CoSbS compound.

Thermal kinetics and short range order parameters of Se80X20 (X = Te, Sb) binary glasses

NASA Astrophysics Data System (ADS)

Moharram, A. H.; Abu El-Oyoun, M.; Abdel-Baset, A. M.

2014-06-01

Bulk Se80Te20 and Se80Sb20 glasses were prepared using the melt-quench technique. Differential scanning calorimetry (DSC) curves measured at different heating rates (5 K/min≤ α≤50 K/min) and X-ray diffraction (XRD) are used to characterize the as-quenched specimens. Based on the obtained results, the activation energy of glass transition and the activation energy of crystallization ( E g, E c) of the Se80Te20 glass are (137.5, 105.1 kJ/mol) higher than the corresponding values of the Se80Sb20 glass (106.8, 71.2 kJ/mol). An integer n value ( n=2) of the Se80Te20 glass indicates that only one crystallization mechanism is occurring while a non-integer exponent ( n=1.79) in the Se80Sb20 glass means that two mechanisms are working simultaneously during the amorphous-crystalline transformations. The total structure factor, S( K), indicates the presence of the short-range order (SRO) and the absence of the medium-range order (MRO) inside the as-quenched alloys. In an opposite way to the activation energies, the values of the first peak position and the total coordination number ( r 1, η 1), obtained from a Gaussian fit of the radial distribution function, of the Se80Te20 glass are (2.42 nm, 1.99 atom) lower than the corresponding values (2.55 nm, 2.36 atom) of the Se80Sb20 specimens.

First-principles study of ternary Li-Al-Te compounds under high pressure

NASA Astrophysics Data System (ADS)

Wang, Youchun; Tian, Fubo; Li, Da; Duan, Defang; Xie, Hui; Liu, Bingbing; Zhou, Qiang; Cui, Tian

2018-02-01

The ternary Li-Al-Te compounds were investigated by the first-principle evolutionary calculation based on density function theory. Apart from the known structure, I-42d LiAlTe2 and P3m1 LiAlTe2, several new structures were discovered, P-3m1 LiAlTe2, Pnma LiAlTe2, C2/c Li9AlTe2, Immm Li9AlTe2 and P4/mmm Li6AlTe. We determined that the I-42d LiAlTe2 firstly changed to P-3m1 phase at 6 GPa, and then into the Pnma structure at 65 GPa, Pnma phase was stable up at least to 120 GPa. I-42d LiAlTe2 was a pseudo-direct band gap semiconductor, but P-3m1 LiAlT2 was an indirect band gap semiconductor. This may be caused by the pressure effect. Subsequently, it was metallized under pressure. Pnma LiAlTe2 was also metallic at the pressure we studied. C2/c Li9AlTe2 was stable above 4 GPa, then turned into Immm phase at 60 GPa. C2/c Li9AlTe2 was an indirect band gap semiconductor. The results show that P4/mmm Li6AlTe was stable and metallized in the pressure range of 0.7-120 GPa. The calculations of DOS and PDOS indicate that the arrangement of electrons near Fermi energy can be affected by the increase of Li. The calculated ELF results and Bader charge analysis indicate that there was no covalent bond between Al and Te atoms for high-pressure Pnma LiAlTe2, Li9AlTe2 and Li6AlTe. For Li9AlTe2 and Li6AlTe, different from LiAlTe2, Al atoms not connect with Te atoms, but link with Li atoms. The results were further proved by Mulliken population analysis. And the weak covalent bonds between Li and Al atoms stem from the hybridization of Li s and Al p presented in PDOS diagrams. We further deduced that the pressure effect and the increase of Li content may result in the disappearance of Al-Te bonds for Li-Al-Te compound under extreme pressure.

Band engineering in core/shell ZnTe/CdSe for photovoltage and efficiency enhancement in exciplex quantum dot sensitized solar cells.

PubMed

Jiao, Shuang; Shen, Qing; Mora-Seró, Iván; Wang, Jin; Pan, Zhenxiao; Zhao, Ke; Kuga, Yuki; Zhong, Xinhua; Bisquert, Juan

2015-01-27

Even though previously reported CdTe/CdSe type-II core/shell QD sensitizers possess intrinsic superior optoelectronic properties (such as wide absorption range, fast charge separation, and slow charge recombination) in serving as light absorbers, the efficiency of the resultant solar cell is still limited by the relatively low photovoltage. To further enhance photovoltage and cell efficiency accordingly, ZnTe/CdSe type-II core/shell QDs with much larger conduction band (CB) offset in comparison with that of CdTe/CdSe (1.22 eV vs 0.27 eV) are adopted as sensitizers in the construction of quantum dot sensitized solar cells (QDSCs). The augment of band offset produces an increase of the charge accumulation across the QD/TiO2 interface under illumination and induces stronger dipole effects, therefore bringing forward an upward shift of the TiO2 CB edge after sensitization and resulting in enhancement of the photovoltage of the resultant cell devices. The variation of relative chemical capacitance, Cμ, between ZnTe/CdSe and reference CdTe/CdSe cells extracted from impedance spectroscopy (IS) characterization under dark and illumination conditions clearly demonstrates that, under light irradiation conditions, the sensitization of ZnTe/CdSe QDs upshifts the CB edge of TiO2 by the level of ∼ 50 mV related to that in the reference cell and results in the enhancement of V(oc) of the corresponding cell devices. In addition, charge extraction measurements have also confirmed the photovoltage enhancement in the ZnTe/CdSe cell related to reference CdTe/CdSe cell. Furthermore, transient grating (TG) measurements have revealed a faster electron injection rate for the ZnTe/CdSe-based QDSCs in comparison with the CdSe cells. The resultant ZnTe/CdSe QD-based QDSCs exhibit a champion power conversion efficiency of 7.17% and a certified efficiency of 6.82% under AM 1.5 G full one sun illumination, which is, as far as we know, one of the highest efficiencies for liquid-junction QDSCs.

Synthesis characterisation series of newly fabricated type II CdSe CdSe/CdTe nanocrystals and their optical properties

NASA Astrophysics Data System (ADS)

Ahmed, A. S.; Christopher, W.

2018-03-01

Nanocrystalline semiconductors exhibit different properties due to two basic factors. They possess high surface to volume ratio and the actual size of particle can determine the electronic and physical properties of the material. The small size results in an observable quantum confinement effect, defined by the increasing bandgap accompanied by the quantization of the energy levels to discrete values. In present work we have synthesized the series of cadmium selenide/cadmium telluride (CdSe/CdTe) core/shell and CdSe/CdTe/CdS core/shell/shell to investigate the biexciton energy through transient absorption measurements. These structures are type II nanocrystals are with a hole in the shell and the electron confined to the core. We specifically investigate the effect of nanoparticle shape on the electronic structure and ultrafast electronic dynamics in the band-edge exciton states of CdSe quantum dots, nanorods, and nanoplatelets. Particle size was chosen to enable straightforward comparisons of the effects of particle shape on the spectra and dynamics without retuning the laser source. In our results the Uv-vis showed only a mild redshift in the first excitonic an elongated tail with increasing shell thickness. High resolution Transmission Electron Microscopy (HRTEM) shows the slight agglomeration of the nanocrystals but still the size distribution was calculate able. Spherical small crystals ranging from 5.9 nm to 10 nm are observed. CdTe/CdSe structures were quasi spherical with a rough diameter 6 nm with some little agglomerated structure. . The spherical nanocrystals could be peanut shaped oriented along the c axis or the spherical only, which could explain the two peak emission. p-XRD results indicate the predominant wurtzite structure throughout.

Crystallization processes in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass

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

Svoboda, Roman, E-mail: roman.svoboda@upce.cz; Bezdička, Petr; Gutwirth, Jan

2015-01-15

Highlights: • Crystallization kinetics of Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass was studied in dependence on particle size by DSC. • All studied fractions were described in terms of the SB autocatalytic model. • Relatively high amount of Te enhances manifestation of bulk crystallization mechanisms. • XRD analysis of samples crystallized under different conditions showed correlation with DSC data. • XRD analysis revealed a new crystallization mechanism indistinguishable by DSC. - Abstract: Differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analysis were used to study crystallization in Ge{sub 2}Sb{sub 2}Se{sub 4}Te glass under non-isothermal conditions as a function of the particlemore » size. The crystallization kinetics was described in terms of the autocatalytic Šesták–Berggren model. An extensive discussion of all aspects of a full-scale kinetic study of a crystallization process was undertaken. Dominance of the crystallization process originating from mechanically induced strains and heterogeneities was confirmed. Substitution of Se by Te was found to enhance the manifestation of the bulk crystallization mechanisms (at the expense of surface crystallization). The XRD analysis showed significant dependence of the crystalline structural parameters on the crystallization conditions (initial particle size of the glassy grains and applied heating rate). Based on this information, a new microstructural crystallization mechanism, indistinguishable by DSC, was proposed.« less

Zone leveling and solution growth of complex compound semiconductors in space

NASA Technical Reports Server (NTRS)

Bachmann, K. J.

1986-01-01

A research program on complex semiconducting compounds and alloys was completed that addressed the growth of single crystals of CdSe(y)Te(1-y), Zn(x)Cd(1-x)Te, Mn(x)Cd(1-x)Te, InP(y)As(1-y) and CuInSe2 and the measurement of fundamental physico-chemical properties characterizing the above materials. The purpose of this ground based research program was to lay the foundations for further research concerning the growth of complex ternary compound semiconductors in a microgravity environment.

Quantum Hall effect in dual gated BiSbTeSe2 topological insulator

NASA Astrophysics Data System (ADS)

Chong, Su Kong; Han, Kyu Bum; Nagaoka, Akira; Harmer, Jared; Tsuchikawa, Ryuichi; Sparks, Taylor D.; Deshpande, Vikram V.

The discovery of topological insulators (TIs) has expanded the family of Dirac materials and enables the probing of exotic matter such as Majorana fermions and magnetic monopoles. Different from conventional 2D electron gas, 3D TIs exhibit a gapped insulating bulk and gapless topological surface states as a result of the strong spin-orbit coupling. BiSbTeSe2 is also known to be a 3D TI with a large intrinsic bulk gap of about 0.3 eV and a single Dirac cone surface state. The highly bulk insulating BiSbTeSe2 permits surface dominated conduction, which is an ideal system for the study of quantum Hall effect (QHE). Due to the spin-momentum locking, the Dirac fermions at the topological surface states have a degeneracy of one. In the QH regime, the Hall conductance is quantized to (n + 1 / 2) e2 / h , where n is an integer and the factor of half is related to Berry curvature. In this work, we study the QHE 3D TI using a dual gated BiSbTeSe2 device. By tuning the chemical potentials on top and bottom surfaces, integer QHE with Landau filling factors, ν = 0, +/-1, and +/-2 are observed.

Tunable Intrinsic Spin Hall Conductivities in Bi2(Se,Te)3 Topological Insulators

NASA Astrophysics Data System (ADS)

Şahin, Cüneyt; Flatté, Michael E.

2015-03-01

It has been recently shown by spin-transfer torque measurements that Bi2Se3 exhibits a very large spin Hall conductivity (SHC). It is expected that Bi2Te3, a topological insulator with similar crystal and band structures as well as large spin-orbit coupling, would also exhibit a giant SHC. In this study we have calculated intrinsic spin Hall conductivities of Bi2Se3andBi2Te3 topological insulators from a tight-binding Hamiltonian including two nearest-neighbor interactions. We have calculated the Berry curvature, used the Kubo formula in the static, clean limit and shown that both materials exhibit giant spin Hall conductivities, consistent with the results of Ref. 1 and larger than previously reported Bi1-xSbx alloys. The density of Berry curvature has also been computed from the full Brillouin zone in order to compute the dependence of the SHC in these materials on the Fermi energy. Finally we report the intrinsic SHC for Bi2(Se,Te)3 topological insulators, which changes dramatically with doping or gate voltage. This work was supported in part by C-SPIN, one of six centers of STARnet, a Semiconductor Research Corporation program, sponsored by MARCO and DARPA.

Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})

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

Meng, Chang-Yu; Wei, Ming-Fang; Geng, Lei, E-mail: lgeng.cn@gmail.com

Two new bismuth(III) selenite/tellurite nitrates, [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}), have been synthesized by conventional facile hydrothermal method at middle temperature 200 °C and characterized by single-crystal X-ray diffraction, powder diffraction, UV–vis–NIR optical absorption spectrum, infrared spectrum and thermal analylsis. Both [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO3)](NO3) crystallize in the monoclinic centronsymmetric space group P2{sub 1}/c with a=9.9403(4) Å, b=9.6857(4) Å, c=10.6864(5) Å, β=93.1150(10)° for [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and a=8.1489(3) Å, b=9.0663(4) Å, c=7.4729(3) Å, β=114.899(2)° for Bi(TeO3)(NO3), respectively. The two compounds, whose structures are composed of three different asymmetricmore » building units, exhibit two different types of structures. The structure of [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) features a three-dimensional (3D) bismuth(III) selenite cationic tunnel structure [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}] {sup 3}{sub ∞} with NO{sub 3}{sup −} anion group filling in the 1D tunnel along b axis. The structure of [Bi(TeO{sub 3})](NO{sub 3}) features 2D bismuth(III) tellurite [Bi(TeO{sub 3}){sub 2}]{sup 2}{sub ∞} layers separated by NO{sub 3}{sup −} anion groups. The results of optical diffuse-reflectance spectrum measurements and electronic structure calculations based on density functional theory methods show that the two compounds are wide band-gap semiconductors. - Graphical abstract: Two novel bismuth{sup III} selenite/tellurite nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) with 3D tunnel structure and [Bi(TeO{sub 3})](NO{sub 3}) with 2D layer structure have been firstly synthesized and characterized. Display Omitted - Highlights: • Two novel bismuth{sup III} nitrates [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3}) were

Kinetic limitation of chemical ordering in Bi2Te3-x Se x layers grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Schreyeck, S.; Brunner, K.; Kirchner, A.; Bass, U.; Grauer, S.; Schumacher, C.; Gould, C.; Karczewski, G.; Geurts, J.; Molenkamp, L. W.

2016-04-01

We study the chemical ordering in Bi2Te3-x Se x grown by molecular beam epitaxy on Si substrates. We produce films in the full composition range from x  =  0 to 3, and determine their material properties using energy dispersive x-ray spectroscopy, x-ray diffraction and Raman spectroscopy. By fitting the parameters of a kinetic growth model to these results, we obtain a consistent description of growth at a microscopic level. Our main finding is that despite the incorporation of Se in the central layer being much more probable than that of Te, the formation of a fully ordered Te-Bi-Se-Bi-Te layer is prevented by kinetic of the growth process. Indeed, the Se concentration in the central layer of Bi2Te2Se1 reaches a maximum of only  ≈75% even under ideal growth conditions. A second finding of our work is that the intensity ratio of the 0 0 12 and 0 0 6 x-ray reflections serves as an experimentally accessible quantitative measure of the degree of ordering in these films.

Effect of adding Te to layered GaSe crystals to increase the van der Waals bonding force

NASA Astrophysics Data System (ADS)

Tanabe, Tadao; Zhao, Shu; Sato, Yohei; Oyama, Yutaka

2017-10-01

The interplanar binding strength of layered GaSe1-xTex crystals was directly measured using a tensile testing machine. The GaSe1-xTex crystals were grown by a low temperature liquid phase solution method under a controlled Se vapor pressure. The stoichiometry-controlled GaSe1-xTex crystal has the ɛ-polytype structure of GaSe, where the Te atoms are substituted for some of the Se atoms in the GaSe crystal. The effect of adding Te on the bonding strength between the GaSe layers was determined from direct measurements of the van der Waals bonding energy. The bonding energy was increased from 0.023 × 106 N/m2 for GaSe to 0.16 × 106 N/m2 for GaSe1-xTex (x = 0.106).

Fabrication of Fe1.1Se0.5Te0.5 bulk by a high energy ball milling technique

NASA Astrophysics Data System (ADS)

Liu, Jixing; Li, Chengshan; Zhang, Shengnan; Feng, Jianqing; Zhang, Pingxiang; Zhou, Lian

2017-11-01

Fe1.1Se0.5Te0.5 superconducting bulks were successfully synthesized by a high energy ball milling (HEBM) aided sintering technique. Two advantages of this new technique have been revealed compared with traditional solid state sintering method. One is greatly increased the density of sintered bulks. It is because the precursor powders with β-Fe(Se, Te) and δ-Fe(Se, Te) were obtained directly by the HEBM process and without formation of liquid Se (and Te), which could avoid the huge volume expansion. The other is the obvious decrease of sintering temperature and dwell time due to the effective shortened length of diffusion paths. The superconducting critical temperature Tc of 14.2 K in our sample is comparable with those in previous reports, and further optimization of chemical composition is on the way.

Hybrid morphology dependence of CdTe:CdSe bulk-heterojunction solar cells

PubMed Central

2014-01-01

A nanocrystal thin-film solar cell operating on an exciton splitting pattern requires a highly efficient separation of electron-hole pairs and transportation of separated charges. A hybrid bulk-heterojunction (HBH) nanostructure providing a large contact area and interpenetrated charge channels is favorable to an inorganic nanocrystal solar cell with high performance. For this freshly appeared structure, here in this work, we have firstly explored the influence of hybrid morphology on the photovoltaic performance of CdTe:CdSe bulk-heterojunction solar cells with variation in CdSe nanoparticle morphology. Quantum dot (QD) or nanotetrapod (NT)-shaped CdSe nanocrystals have been employed together with CdTe NTs to construct different hybrid structures. The solar cells with the two different hybrid active layers show obvious difference in photovoltaic performance. The hybrid structure with densely packed and continuously interpenetrated two phases generates superior morphological and electrical properties for more efficient inorganic bulk-heterojunction solar cells, which could be readily realized in the NTs:QDs hybrid. This proved strategy is applicable and promising in designing other highly efficient inorganic hybrid solar cells. PMID:25386107

Hybrid morphology dependence of CdTe:CdSe bulk-heterojunction solar cells.

PubMed

Tan, Furui; Qu, Shengchun; Zhang, Weifeng; Wang, Zhanguo

2014-01-01

A nanocrystal thin-film solar cell operating on an exciton splitting pattern requires a highly efficient separation of electron-hole pairs and transportation of separated charges. A hybrid bulk-heterojunction (HBH) nanostructure providing a large contact area and interpenetrated charge channels is favorable to an inorganic nanocrystal solar cell with high performance. For this freshly appeared structure, here in this work, we have firstly explored the influence of hybrid morphology on the photovoltaic performance of CdTe:CdSe bulk-heterojunction solar cells with variation in CdSe nanoparticle morphology. Quantum dot (QD) or nanotetrapod (NT)-shaped CdSe nanocrystals have been employed together with CdTe NTs to construct different hybrid structures. The solar cells with the two different hybrid active layers show obvious difference in photovoltaic performance. The hybrid structure with densely packed and continuously interpenetrated two phases generates superior morphological and electrical properties for more efficient inorganic bulk-heterojunction solar cells, which could be readily realized in the NTs:QDs hybrid. This proved strategy is applicable and promising in designing other highly efficient inorganic hybrid solar cells.

Accuracy of existing atomic potentials for the CdTe semiconductor compound

NASA Astrophysics Data System (ADS)

Ward, D. K.; Zhou, X. W.; Wong, B. M.; Doty, F. P.; Zimmerman, J. A.

2011-06-01

CdTe and CdTe-based Cd1-xZnxTe (CZT) alloys are important semiconductor compounds that are used in a variety of technologies including solar cells, radiation detectors, and medical imaging devices. Performance of such systems, however, is limited due to the propensity of nano- and micro-scale defects that form during crystal growth and manufacturing processes. Molecular dynamics simulations offer an effective approach to study the formation and interaction of atomic scale defects in these crystals, and provide insight on how to minimize their concentrations. The success of such a modeling effort relies on the accuracy and transferability of the underlying interatomic potential used in simulations. Such a potential must not only predict a correct trend of structures and energies of a variety of elemental and compound lattices, defects, and surfaces but also capture correct melting behavior and should be capable of simulating crystalline growth during vapor deposition as these processes sample a variety of local configurations. In this paper, we perform a detailed evaluation of the performance of two literature potentials for CdTe, one having the Stillinger-Weber form and the other possessing the Tersoff form. We examine simulations of structures and the corresponding energies of a variety of elemental and compound lattices, defects, and surfaces compared to those obtained from ab initio calculations and experiments. We also perform melting temperature calculations and vapor deposition simulations. Our calculations show that the Stillinger-Weber parameterization produces the correct lowest energy structure. This potential, however, is not sufficiently transferrable for defect studies. Origins of the problems of these potentials are discussed and insights leading to the development of a more transferrable potential suitable for molecular dynamics simulations of defects in CdTe crystals are provided.

Crystallization kinetics and Avrami index of Sb-doped Se-Te-Sn chalcogenide glasses

NASA Astrophysics Data System (ADS)

Dwivedi, D. K.; Rao, Vandita; Mehta, N.; Chandel, N.

2018-05-01

Bulk amorphous samples of Sb-substituted Se78-xTe20Sn2Sbx (0 < x < 6) have been prepared using melt quench technique. The structure of Se78-xTe20Sn2Sbx (x = 0, 2, 4, 6) glassy alloys has been investigated using X-ray diffraction technique. Calorimetric studies of the prepared samples have been performed under non-isothermal conditions using differential scanning calorimetry (DSC) and glass transition temperature as well as crystallization temperature has been evaluated using DSC scans. The activation energy of crystallization kinetics (Ec) has been determined using model-free approaches such as Kissinger, Ozawa, Tang and Starink methods. The Avrami index (n) and frequency factor (Ko) have been calculated by Matusita and Augis-Benett method.

Factors influencing photoluminescence and photocarrier lifetime in CdSeTe/CdMgTe double heterostructures

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

Swartz, Craig H.; Zaunbrecher, K. N.; Sohal, S.

2016-10-28

CdSeTe/CdMgTe double heterostructures were produced with both n-type and unintentionally doped absorber layers. Measurements of the dependence of photoluminescence intensity on excitation intensity were carried out, as well as measurements of time-resolved photoluminescence decay after an excitation pulse. It was found that decay times under very low photon injection conditions are dominated by a non-radiative Shockley-Read-Hall process described using a recombination center with an asymmetric capture cross section, where the cross section for holes is larger than that for electrons. As a result of the asymmetry, the center effectively extends photoluminescence decay by a hole trapping phenomenon. A reduction inmore » electron capture cross section appeared at doping densities over 10 16cm -3. An analysis of the excitation intensity dependence of room temperature photoluminescence revealed a strong relationship with doping concentration. Here, this allows estimates of the carrier concentration to be made through a non-destructive optical method. Iodine was found to be an effective n-type dopant for CdTe, allowing controllable carrier concentrations without an increased rate of non-radiative recombination.« less

Assessing the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (brassica oleracea L. var. italica) sprouts and florets

USDA-ARS?s Scientific Manuscript database

Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compound Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se ...

Composition Dependence of the Hydrostatic Pressure Coefficients of the Bandgap of ZnSe(1-x)Te(x) Alloys

NASA Technical Reports Server (NTRS)

Wu, J.; Yu, K. M.; Walukiewicz, W.; Shan, W.; Ager, J. W., III; Haller, E. E.; Miotkowski, I.; Ramdas, A. K.; Su, Ching-Hua

2003-01-01

Optical absorption experiments have been performed using diamond anvil cells to measure the hydrostatic pressure dependence of the fundamental bandgap of ZnSe(sub 1-xTe(sub x) alloys over the entire composition range. The first and second-order pressure coefficients are obtained as a function of composition. Starting from the ZnSe side, the magnitude of both coefficients increases slowly until x approx. 0.7, where the ambient-pressure bandgap reaches a minimum. For larger values of x the coefficients rapidly approach the values of ZnTe. The large deviations of the pressure coefficients from the linear interpolation between ZnSe and ZnTe are explained in terms of the band anticrossing model.

Two-dimensional bismuth-rich nanosheets through the evaporative thinning of Se-doped Bi2Te3

NASA Astrophysics Data System (ADS)

Hanson, Eve D.; Shi, Fengyuan; Chasapis, Thomas C.; Kanatzidis, Mercouri G.; Dravid, Vinayak P.

2016-02-01

High bulk conductance obscures the behavior of surface states in the prototypical topological insulators Bi2Te3 and Bi2Se3. However, ternary phases of Bi2Te3-ySey with balanced donor and acceptor levels may lead to large bulk resistivity, allowing for the observation of the surface states. Additionally, the contribution of the bulk conductance may be further suppressed by nanostructuring, increasing the surface-to-volume ratio. Herein we report the synthesis of a ternary tetradymite newly confined to two dimensions. Ultra-thin large-area stable nanosheets were fabricated via evaporative thinning of a Bi2Te2.9Se0.1 original phase. Owing to vapor pressure differences, a compositional shift to a final Bi-rich phase is observed. The Se/Te ratio of the nanosheet increases tenfold, due to the higher stability of the Bi-Se bonds. Hexagonal crystal symmetry is maintained despite dramatic changes in thickness and stoichiometry. Given that small variations in stoichiometry of this ternary system can incur large changes in carrier concentration and switch majority carrier type, the large compositional shifts found in this case imply that compositional analysis of similar CVD and PVD grown materials is critical to correctly interpret topological insulator performance. Further, the characterization techniques deployed, including STEM-EDS and ToF-SIMS, serve as a case study in determining such compositional shifts in two-dimensional form.

Two-dimensional topological insulators with tunable band gaps: Single-layer HgTe and HgSe

DOE PAGES

Li, Jin; He, Chaoyu; Meng, Lijun; ...

2015-09-14

Here, we report that two-dimensional (2D) topological insulators (TIs) with large band gaps are of great importance for the future applications of quantum spin Hall (QSH) effect. Employing ab initio electronic calculations we propose a novel type of 2D topological insulators, the monolayer (ML) low-buckled (LB) mercury telluride (HgTe) and mercury selenide (HgSe), with tunable band gap. We demonstrate that LB HgTe (HgSe) monolayers undergo a trivial insulator to topological insulator transition under in-plane tensile strain of 2.6% (3.1%) due to the combination of the strain and the spin orbital coupling (SOC) effects. Furthermore, the band gaps can be tunedmore » up to large values (0.2 eV for HgTe and 0.05 eV for HgSe) by tensile strain, which far exceed those of current experimentally realized 2D quantum spin Hall insulators. Our results suggest a new type of material suitable for practical applications of 2D TI at room-temperature.« less

CdTe and CdSe quantum dots: synthesis, characterizations and applications in agriculture

NASA Astrophysics Data System (ADS)

Dieu Thuy Ung, Thi; Tran, Thi Kim Chi; Nga Pham, Thu; Nghia Nguyen, Duc; Khang Dinh, Duy; Liem Nguyen, Quang

2012-12-01

This paper highlights the results of the whole work including the synthesis of highly luminescent quantum dots (QDs), characterizations and testing applications of them in different kinds of sensors. Concretely, it presents: (i) the successful synthesis of colloidal CdTe and CdSe QDs, their core/shell structures with single- and/or double-shell made by CdS, ZnS or ZnSe/ZnS; (ii) morphology, structural and optical characterizations of the synthesized QDs; and (iii) testing examples of QDs as the fluorescence labels for agricultural-bio-medical objects (for tracing residual pesticide in agricultural products, residual clenbuterol in meat/milk and for detection of H5N1 avian influenza virus in breeding farms). Overall, the results show that the synthesized QDs have very good crystallinity, spherical shape and strongly emit at the desired wavelengths between ˜500 and 700 nm with the luminescence quantum yield (LQY) of 30-85%. These synthesized QDs were used in fabrication of the three testing fluorescence QD-based sensors for the detection of residual pesticides, clenbuterol and H5N1 avian influenza virus. The specific detection of parathion methyl (PM) pesticide at a content as low as 0.05 ppm has been realized with the biosensors made from CdTe/CdS and CdSe/ZnSe/ZnS QDs and the acetylcholinesterase (AChE) enzymes. Fluorescence resonance energy transfer (FRET)-based nanosensors using CdTe/CdS QDs conjugated with 2-amino-8-naphthol-6-sulfonic acid were fabricated that enable detection of diazotized clenbuterol at a content as low as 10 pg ml-1. For detection of H5N1 avian influenza virus, fluorescence biosensors using CdTe/CdS QDs bound on the surface of chromatophores extracted and purified from bacteria Rhodospirillum rubrum were prepared and characterized. The specific detection of H5N1 avian influenza virus in the range of 3-50 ng μl-1 with a detection limit of 3 ng μL-1 has been performed based on the antibody-antigen recognition.

Thermoelectric Properties of Bi2Te2Se Compensated by Native Defects and Sn Doping

NASA Astrophysics Data System (ADS)

Fuccillo, M. K.; Jia, Shuang; Charles, M. E.; Cava, R. J.

2013-06-01

In Bi2Te2Se the defect chemistry involves native defects that compete such that they can either exchange dominance or else significantly compensate each other. Here we show how the net carrier concentration, n - p, which depends on the relative amounts of these defects and is readily obtained from Hall data, can be used as a fundamental materials parameter to describe the varied behavior of the thermoelectric properties as a function of compensation. We report the effects of tuning this parameter over multiple orders of magnitude by hole-doping the n-type material Bi2Te2Se0.995, which is already significantly compensated because of its Se deficiency. Crystals with different levels of hole doping were achieved by two separate approaches, namely by selecting pieces from different locations in an undoped crystal in which a systematic carrier concentration gradient had been induced by its growth conditions, and alternatively by doping with Sn for Bi. The thermoelectric power factors for Bi2- x Sn x Te2Se0.995 for x = 0, 0.002, 0.005, 0.010, and 0.040 are reported, and the dependence of the transport properties on the extent of compensation is discussed.

Four-wave mixing in CdMnTeSe: In crystals

NASA Astrophysics Data System (ADS)

Koziarska-Glinka, B.; Wojtowicz, T.; Miotkowski, I.; Furdyna, J. K.; Suchocki, A.

1998-02-01

It is shown that the four-wave mixing technique can be used as a spectroscopic tool for studying the properties of bistable centers in semiconductors. Two metastable centers with different lattice relaxation energy have been identified in the Cd 1- xMn xTe 1- ySe x: In crystal. The power dependence of the FWM signal provides additional support for the "negative-U" model of metastable centers in this material.

Studies on Se75Te25-x In x chalcogenide glasses; a material for phase change memory

NASA Astrophysics Data System (ADS)

Srivastava, Archana; Tiwari, S. N.; Alvi, M. A.; Khan, Shamshad A.

2018-01-01

This research paper describes the non-isothermal crystallization during phase transformation in Se75Te25-x In x glasses synthesized by melt quenching method. For crystallization studies in these glasses, non-isothermal differential scanning calorimetry (DSC) measurements was done at constant heating rates of 5, 10, 15, 20 and 25 K min-1 in air atmosphere. The glass transition temperature (T g), on-set crystallization temperature (T c), peak crystallization temperature (T p) and melting temperatures (T m) were derived by DSC thermograms. Using various thermal parameters the activation energy of glass transition and crystallization were determined by using Kissinger, Moynihan and Ozawa approaches and found to be in good agreement. The value of the activation energy of glass transition (ΔE t) was found to be minimum for Se75Te19In6 alloys confirming its maximum probability of transition in a metastable state. Thermal stability parameters of Se75Te25-x In x were determined and found to be increased with indium content. High resolution x-ray diffraction and field emission scanning electron microscopy studies were employed for the study of phase transformation in Se75Te25-x In x glasses. The outcome of these studies shows that the investigated materials may be suitable for phase change memory devices.

Spectroscopic evidence for temperature-dependent convergence of light- and heavy-hole valence bands of PbQ (Q = Te, Se, S)

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

Zhao, J.; Malliakas, C. D.; Wijayaratne, K.

2017-01-01

We have conducted a temperature- dependent angle-resolved photoemission spectroscopy (ARPES) study of the electronic structures of PbTe, PbSe and PbS. Our ARPES data provide direct evidence for the light-hole upper valence bands (UVBs) and hitherto undetected heavy-hole lower valence bands (LVBs) in these materials. An unusual temperature-dependent relative movement between these bands leads to a monotonic decrease in the energy separation between their maxima with increasing temperature, which is known as band convergence and has long been believed to be the driving factor behind extraordinary thermoelectric performances of these compounds at elevated temperatures.

Spectroscopic evidence for temperature-dependent convergence of light- and heavy-hole valence bands of PbQ (Q = Te, Se, S)

NASA Astrophysics Data System (ADS)

Zhao, J.; Malliakas, C. D.; Wijayaratne, K.; Karlapati, V.; Appathurai, N.; Chung, D. Y.; Rosenkranz, S.; Kanatzidis, M. G.; Chatterjee, U.

2017-01-01

We have conducted a temperature-dependent angle-resolved photoemission spectroscopy (ARPES) study of the electronic structures of PbTe, PbSe and PbS. Our ARPES data provide direct evidence for the light-hole upper valence bands (UVBs) and hitherto undetected heavy-hole lower valence bands (LVBs) in these materials. An unusual temperature-dependent relative movement between these bands leads to a monotonic decrease in the energy separation between their maxima with increasing temperature, which is known as band convergence and has long been believed to be the driving factor behind extraordinary thermoelectric performances of these compounds at elevated temperatures.

Electrochemical control over photoinduced electron transfer and trapping in CdSe-CdTe quantum-dot solids.

PubMed

Boehme, Simon C; Walvis, T Ardaan; Infante, Ivan; Grozema, Ferdinand C; Vanmaekelbergh, Daniël; Siebbeles, Laurens D A; Houtepen, Arjan J

2014-07-22

Understanding and controlling charge transfer between different kinds of colloidal quantum dots (QDs) is important for devices such as light-emitting diodes and solar cells and for thermoelectric applications. Here we study photoinduced electron transfer between CdTe and CdSe QDs in a QD film. We find that very efficient electron trapping in CdTe QDs obstructs electron transfer to CdSe QDs under most conditions. Only the use of thiol ligands results in somewhat slower electron trapping; in this case the competition between trapping and electron transfer results in a small fraction of electrons being transferred to CdSe. However, we demonstrate that electron trapping can be controlled and even avoided altogether by using the unique combination of electrochemistry and transient absorption spectroscopy. When the Fermi level is raised electrochemically, traps are filled with electrons and electron transfer from CdTe to CdSe QDs occurs with unity efficiency. These results show the great importance of knowing and controlling the Fermi level in QD films and open up the possibility of studying the density of trap states in QD films as well as the systematic investigation of the intrinsic electron transfer rates in donor-acceptor films.

Thermoelectric Properties of Highly-Crystallized Ge-Te-Se Glasses Doped with Cu/Bi

PubMed Central

Srinivasan, Bhuvanesh; Boussard-Pledel, Catherine; Dorcet, Vincent; Samanta, Manisha; Biswas, Kanishka; Lefèvre, Robin; Gascoin, Franck; Cheviré, François; Tricot, Sylvain; Reece, Michael; Bureau, Bruno

2017-01-01

Chalcogenide semiconducting systems are of growing interest for mid-temperature range (~500 K) thermoelectric applications. In this work, Ge20Te77Se3 glasses were intentionally crystallized by doping with Cu and Bi. These effectively-crystallized materials of composition (Ge20Te77Se3)100−xMx (M = Cu or Bi; x = 5, 10, 15), obtained by vacuum-melting and quenching techniques, were found to have multiple crystalline phases and exhibit increased electrical conductivity due to excess hole concentration. These materials also have ultra-low thermal conductivity, especially the heavily-doped (Ge20Te77Se3)100−xBix (x = 10, 15) samples, which possess lattice thermal conductivity of ~0.7 Wm−1 K−1 at 525 K due to the assumable formation of nano-precipitates rich in Bi, which are effective phonon scatterers. Owing to their high metallic behavior, Cu-doped samples did not manifest as low thermal conductivity as Bi-doped samples. The exceptionally low thermal conductivity of the Bi-doped materials did not, alone, significantly enhance the thermoelectric figure of merit, zT. The attempt to improve the thermoelectric properties by crystallizing the chalcogenide glass compositions by excess doping did not yield power factors comparable with the state of the art thermoelectric materials, as these highly electrically conductive crystallized materials could not retain the characteristic high Seebeck coefficient values of semiconducting telluride glasses. PMID:28772687

Enhancing Thermoelectric Performance of PbSe by Se Vacancies

NASA Astrophysics Data System (ADS)

Liu, Yefeng; You, Li; Wang, Chenyang; Zhang, Jiye; Yang, Jiong; Guo, Kai; Luo, Jun; Zhang, Wenqing

2018-02-01

Self-doped n-type PbSe1-δ thermoelectric compounds have been successfully synthesized by the melting and annealing method. The Se vacancies are created by intentionally produced deficiency of Se elements during the sample preparation. Such intrinsic doping can raise the electron concentration to a value as high as 1.2 × 1019 cm-3, leading to greatly improved electrical conductivity and power factor in the n-type PbSe1-δ . Furthermore, the presence of Se vacancies effectively enhances the phonon scattering, resulting in reduced lattice thermal conductivity. Thus, the thermoelectric performance of n-type PbSe1-δ is significantly improved by the formation of intrinsic Se vacancies. The achieved ZT value for the Se-vacancy-rich sample varies from ˜ 0.4 at 330 K to ˜ 1.0 at 675 K, which is comparable to those of the reported n-type PbSe materials with extrinsic doping. In addition, the average ZT of our n-type PbSe system reaches 0.77, which approaches the value of p-type PbTe.

Distinguishability of stacks in ZnTe/ZnSe quantum dots via spectral analysis of Aharonov-Bohm oscillations

NASA Astrophysics Data System (ADS)

Roy, Bidisha; Ji, Haojie; Dhomkar, Siddharth; Cadieu, Fred J.; Peng, Le; Moug, Richard; Tamargo, Maria C.; Kuskovsky, Igor L.

2013-02-01

A spectral analysis of the Aharonov-Bohm (AB) oscillations in photoluminescence intensity was performed for stacked type-II ZnTe/ZnSe quantum dots (QDs) fabricated within multilayered Zn-Se-Te system with sub-monolayer insertions of Te. Robust AB oscillations allowed for fine probing of distinguishable QDs stacks within the ensemble of QDs. The AB transition magnetic field, B AB , changed from the lower energy side to the higher energy side of the PL spectra revealing the presence of different sets of QDs stacks. The change occurs within the spectral range, where the contributing green and blue bands of the spectra overlapped. "Bundling" in lifetime measurements is seen at transition spectral regions confirming the results.

Synthesis of Multishell Nanoplates by Consecutive Epitaxial Growth of Bi2Se3 and Bi2Te3 Nanoplates and Enhanced Thermoelectric Properties.

PubMed

Min, Yuho; Park, Gyeongbae; Kim, Bongsoo; Giri, Anupam; Zeng, Jie; Roh, Jong Wook; Kim, Sang Il; Lee, Kyu Hyoung; Jeong, Unyong

2015-07-28

We herein demonstrate the successive epitaxial growth of Bi2Te3 and Bi2Se3 on seed nanoplates for the scalable synthesis of heterostructured nanoplates (Bi2Se3@Bi2Te3) and multishell nanoplates (Bi2Se3@Bi2Te3@Bi2Se3, Bi2Se3@Bi2Te3@Bi2Se3@Bi2Te3). The relative dimensions of the constituting layers are controllable via the molar ratios of the precursors added to the seed nanoplate solution. Reduction of the precursors produces nanoparticles that attach preferentially to the sides of the seed nanoplates. Once attached, the nanoparticles reorganize epitaxially on the seed crystal lattices to form single-crystalline core-shell nanoplates. The nanoplates, initially 100 nm wide, grew laterally to 620 nm in the multishell structure, while their thickness increased more moderately, from 5 to 20 nm. The nanoplates were pelletized into bulk samples by spark plasma sintering and their thermoelectric properties are compared. A peak thermoelectric figure of merit (ZT) ∼0.71 was obtained at 450 K for the bulk of Bi2Se3@Bi2Te3 nanoplates by simultaneous modulation of electronic and thermal transport in the presence of highly dense grain and phase boundaries.

Electrical and photoresponse properties of vacuum deposited Si/Al:ZnSe and Bi:ZnTe/Al:ZnSe photodiodes

NASA Astrophysics Data System (ADS)

Rao, Gowrish K.

2017-04-01

The paper reports fabrication and characterization of Bi:ZnTe/Al:ZnSe and Si/Al:ZnSe thin film photodiodes. The characteristics of the devices were studied under dark and illuminated conditions. The normalized spectral response, speed of photoresponse and variation of photocurrent with power density were studied in detail. Many vital parameters, such as diode ideality factor, barrier height, the thickness of the depletion region, trap depth, rise and decay times of photocurrent, were determined. Conduction mechanism in the photodiodes is discussed with the help of widely accepted theoretical models.

Significance of the whole rock Re-Os ages in cryptically and modally metasomatised cratonic peridotites: Constraints from HSE-Se-Te systematics

NASA Astrophysics Data System (ADS)

Luguet, Ambre; Behrens, Melanie; Pearson, D. Graham; König, Stephan; Herwartz, Daniel

2015-09-01

The Re-Os isotopic system is the geochronometer of choice to constrain the timing of lithospheric mantle root formation and reconstruct the evolution of Earth's dynamics from the "mantle" perspective. In order to constrain the effects of metasomatic processes on the Re-Os isotopic system, eleven peridotites from the Letlhakane kimberlite pipe were investigated for whole rock major and trace elements, highly siderophile elements (HSE), Se, Te and 187Os/188Os signatures. These spinel peridotites (SP), garnet peridotites (GP), garnet-phlogopite peridotites (GPP) and phlogopite peridotites (PP) experienced cryptic metasomatism and the GP-GPP-PP additionally constitute a sequence of increasing modal metasomatism. The cryptically metasomatised SP appear devoid of base metal sulphides (BMS) and show suprachondritic Se/Te ratios (15-40) and extremely Pd- and Pt-depleted HSE patterns. These features are characteristic of high-degree partial melting residues. Their 187Os/188Os signatures are thus considered to be inherited from the partial melting event. This implies a Neoarchean (2.5-2.8 Ga, TRD eruption) stabilisation of the Letlhakane mantle root and supports the Letlhakane mantle root being a westerly extension of the Zimbabwe cratonic root. The modally metasomatised peridotites contain BMS whose abundance significantly increases from the GPP to the GP and PP. The BMS-poor GPP are only slightly richer in Pt and Pd than the BMS-free SP but have similarly high Se/Te ratios. The BMS-rich GP and PP exhibit significant enrichments in Pt, Pd, Se, Te resulting in HSE-Se-Te signatures similar to that of the Primitive Upper Mantle (PUM). Addition of 0.001-0.05 wt.% metasomatic BMS ± PGM (platinum group minerals, i.e., Pt-tellurides) to highly refractory residues, such as the Letlhakane SP, reproduce well the HSE-Se-Te systematics observed in the BMS-poor and BMS-rich modally metasomatised peridotites. In the GPP, the negligible addition of metasomatic BMS ± PGM did not disturb

Structural and compositional dependence of the CdTexSe1−x alloy layer photoactivity in CdTe-based solar cells

PubMed Central

Poplawsky, Jonathan D.; Guo, Wei; Paudel, Naba; Ng, Amy; More, Karren; Leonard, Donovan; Yan, Yanfa

2016-01-01

The published external quantum efficiency data of the world-record CdTe solar cell suggests that the device uses bandgap engineering, most likely with a CdTexSe1−x alloy layer to increase the short-circuit current and overall device efficiency. Here atom probe tomography, transmission electron microscopy and electron beam-induced current are used to clarify the dependence of Se content on the photoactive properties of CdTexSe1−x alloy layers in bandgap-graded CdTe solar cells. Four solar cells were prepared with 50, 100, 200 and 400 nm-thick CdSe layers to reveal the formation, growth, composition, structure and photoactivity of the CdTexSe1−x alloy with respect to the degree of Se diffusion. The results show that the CdTexSe1−x layer photoactivity is highly dependent on the crystalline structure of the alloy (zincblende versus wurtzite), which is also dependent on the Se and Te concentrations. PMID:27460872

Multiband nodeless superconductivity near the charge-density-wave quantum critical point in ZrTe 3–xSe x

DOE PAGES

Cui, Shan; He, Lan -Po; Hong, Xiao -Chen; ...

2016-06-09

It was found that selenium doping can suppress the charge-density-wave (CDW) order and induce bulk superconductivity in ZrTe 3. The observed superconducting dome suggests the existence of a CDW quantum critical point (QCP) in ZrTe 3–x Se x near x ≈ 0.04. To elucidate the superconducting state near the CDW QCP, we measure the thermal conductivity of two ZrTe 3–x Se x single crystals (x = 0.044 and 0.051) down to 80 mK. For both samples, the residual linear term κ 0/T at zero field is negligible, which is a clear evidence for nodeless superconducting gap. Furthermore, the field dependencemore » of κ 0/T manifests a multigap behavior. Lastly, these results demonstrate multiple nodeless superconducting gaps in ZrTe 3–x Se x, which indicates conventional superconductivity despite of the existence of a CDW QCP.« less

High compositional homogeneity of CdTe{sub x}Se{sub 1−x} crystals grown by the Bridgman method

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

Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.

2015-02-01

We obtained high-quality CdTe{sub x}Se{sub 1−x} (CdTeSe) crystals from ingots grown by the vertical Bridgman technique. The compositional uniformity of the ingots was evaluated by X-ray fluorescence at BNL’s National Synchrotron Light Source X27A beam line. The compositional homogeneity was highly uniform throughout the ingot, and the effective segregation coefficient of Se was ∼1.0. This high uniformity offers potential opportunity to enhance the yield of the materials for both infrared substrate and radiation-detector applications, so greatly lowering the cost of production and also offering us the prospect to grow large-diameter ingots for use as large-area substrates and for producing highermore » efficiency gamma-ray detectors. The concentration of secondary phases was found to be much lower, by eight- to ten fold compared to that of conventional Cd{sub x}Zn{sub 1−x}Te (CdZnTe or CZT)« less

Assessment of the anticancer compounds Se-methylselenocysteine and glucosinolates in Se-biofortified broccoli (Brassica oleracea L. var. italica) sprouts and florets.

PubMed

Ávila, Fabricio William; Faquin, Valdemar; Yang, Yong; Ramos, Silvio Junio; Guilherme, Luiz Roberto G; Thannhauser, Theodore W; Li, Li

2013-07-03

Broccoli (Brassica oleracea L. var. italica) is a rich source of chemopreventive compounds. Here, we evaluated and compared the effect of selenium (Se) treatment on the accumulation of anticancer compounds Se-methylselenocysteine (SeMSCys) and glucosinolates in broccoli sprouts and florets. Total Se and SeMSCys content in sprouts increased concomitantly with increasing Se doses. Selenate was superior to selenite in inducing total Se accumulation, but selenite is equally effective as selenate in promoting SeMSCys synthesis in sprouts. Increasing sulfur doses reduced total Se and SeMSCys content in sprouts treated with selenate, but not in those with selenite. Examination of five broccoli cultivars reveals that sprouts generally have better fractional ability than florets to convert inorganic Se into SeMSCys. Distinctive glucosinolate profiles between sprouts and florets were observed, and sprouts contained approximately 6-fold more glucoraphanin than florets. In contrast to florets, glucosinolate content was not affected by Se treatment in sprouts. Thus, Se-enriched broccoli sprouts are excellent for simultaneous accumulation of chemopreventive compounds SeMSCys and glucoraphanin.

Superconducting FeSe0.1Te0.9 thin films integrated on Si-based substrates

NASA Astrophysics Data System (ADS)

Huang, Jijie; Chen, Li; Li, Leigang; Qi, Zhimin; Sun, Xing; Zhang, Xinghang; Wang, Haiyan

2018-05-01

With the goal of integrating superconducting iron chalcogenides with Si-based electronics, superconducting FeSe0.1Te0.9 thin films were directly deposited on Si and SiOx/Si substrates without any buffer layer by a pulsed laser deposition (PLD) method. Microstructural characterization showed excellent film quality with mostly c-axis growth on both types of substrates. Superconducting properties (such as superconducting transition temperature T c and upper critical field H c2) were measured to be comparable to that of the films on single crystal oxide substrates. The work demonstrates the feasibility of integrating superconducting iron chalcogenide (FeSe0.1Te0.9) thin films with Si-based microelectronics.

Impact of stoichiometry and disorder on the electronic structure of the PbBi2Te4 -xSex topological insulator

NASA Astrophysics Data System (ADS)

Shvets, I. A.; Klimovskikh, I. I.; Aliev, Z. S.; Babanly, M. B.; Sánchez-Barriga, J.; Krivenkov, M.; Shikin, A. M.; Chulkov, E. V.

2017-12-01

Detailed comparative theoretical and experimental study of electronic properties and spin structure was carried out for a series of Pb-based quaternary compounds PbBi2Te4 -xSex . For all values of x , these compounds are theoretically predicted to be topological insulators, possessing at high Se content a remarkably large band gap and a Dirac point isolated from bulk states. Using spin- and angle-resolved photoemission spectroscopy, it was shown that the PbBi2Te2Se2 and PbBi2Te1.4Se2.6 compounds are characterized by well-defined spin-polarized topological surface state in the bulk gap. To define the probable distribution of atoms over the atomic sites for these samples, we performed ab initio calculations in ordered and disordered configurations of the unit cell. We found that theoretical calculations better reproduce photoemission data when Te atoms are placed in the outermost layers of the septuple layer block.

Intrinsic pinning and the critical current scaling of clean epitaxial Fe(Se,Te) thin films

NASA Astrophysics Data System (ADS)

Iida, Kazumasa; Hänisch, Jens; Reich, Elke; Kurth, Fritz; Hühne, Ruben; Schultz, Ludwig; Holzapfel, Bernhard; Ichinose, Ataru; Hanawa, Masafumi; Tsukada, Ichiro; Schulze, Michael; Aswartham, Saicharan; Wurmehl, Sabine; Büchner, Bernd

2013-03-01

We report on the transport properties of clean, epitaxial Fe(Se,Te) thin films prepared on Fe-buffered MgO (001) single crystalline substrates by pulsed laser deposition. Near Tc a steep slope of the upper critical field for H||ab was observed (74.1 T/K), leading to a very short out-of-plane coherence length, ξc(0), of 0.2 nm, yielding 2ξc(0)≈0.4nm. This value is shorter than the interlayer distance (0.605 nm) between the Fe-Se(Te) planes, indicative of modulation of the superconducting order parameter along the c axis. An inverse correlation between the power law exponent N of the electric field-current density(E-J) curve and the critical current density Jc has been observed at 4 K, when the orientation of H was close to the ab plane. These results prove the presence of intrinsic pinning in Fe(Se,Te). A successful scaling of the angular dependent Jc and the corresponding exponent N can be realized by the anisotropic Ginzburg Landau approach with appropriate Γ values 2˜3.5. The temperature dependence of Γ behaves almost identically to that of the penetration depth anisotropy.

Obtaining Large Columnar CdTe Grains and Long Lifetime on CdSe, MgZnO, or CdS Layers

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

Amarasinghe, Mahisha; Colegrove, Eric M; Moseley, John

CdTe solar cells have reached efficiencies comparable to multicrystalline silicon and produce electricity at costs competitive with traditional energy sources. Recent efficiency gains have come partly from shifting from the traditional CdS window layer to new materials such as CdSe and MgZnO, yet substantial headroom still exists to improve performance. Thin film technologies including Cu(In,Ga)Se2, perovskites, Cu2ZnSn(S,Se)4, and CdTe inherently have many grain boundaries that can form recombination centers and impede carrier transport; however, grain boundary engineering has been difficult and not practical. In this work, it is demonstrated that wide columnar grains reaching through the entire CdTe layer canmore » be achieved by aggressive postdeposition CdTe recrystallization. This reduces the grain structure constraints imposed by nucleation on nanocrystalline window layers and enables diverse window layers to be selected for other properties critical for electro-optical applications. Computational simulations indicate that increasing grain size from 1 to 7 um can be equivalent to decreasing grain-boundary recombination velocity by three orders of magnitude. Here, large high-quality grains enable CdTe lifetimes exceeding 50 ns.« less

Enhanced thermoelectric properties of N-type polycrystalline In4Se3-x compounds via thermally induced Se deficiency

NASA Astrophysics Data System (ADS)

Zhao, Ran; Shu, Yu-Tian; Guo, Fu

2014-03-01

In4Se3-x compound is considered as a potential thermoelectric material due to its comparably low thermal conductivity among all existing ones. While most studies investigated In4Se3-x thermoelectric properties by controlling selennium or other dopants concentrations, in the current study, it was found that even for a fixed initial In/Se ratio, the resulting In/Se ratio varied significantly with different thermal processing histories (i.e., melting and annealing), which also resulted in varied thermoelectric properties as well as fracture surface morphologies of In4Se3-x polycrystalline specimens. Single phase polycrystalline In4Se3-x compounds were synthesized by combining a sequence of melting, annealing, pulverizing, and spark plasma sintering. The extension of previous thermal history was observed to significantly improve the electrical conductivity (about 121%) and figure of merit (about 53%) of In4Se3-x polycrystalline compounds. The extended thermal history resulted in the increase of Se deficiency (x) from 0.39 to 0.53. This thermally induced Se deficiency was observed to associate with increasing carrier mobility but decreasing concentration, which differs from the general trend observed for the initially adjusted Se deficiency at room temperature. Unusually large dispersed grains with nanosize layers were observed in specimens with the longest thermal history. The mechanism(s) by which previous thermal processing enhances carrier mobility and affect microstructural evolution are briefly discussed.

High-pressure studies on electronic transport properties of Te-substituted Bi2Se3–xTex topological insulators

NASA Astrophysics Data System (ADS)

Devidas, T. R.; Abhirami, S.; Sharma, Shilpam; Amaladas, E. P.; Mani, Awadhesh

2018-03-01

Studies on the electrical transport properties of the 3D topological insulators Bi2Se3 under iso-electronic substitution of Te at Se sites and the application of external pressure have been performed to understand the evolution of its ground-state properties and to explore possible electronic phase transitions in Bi2Se3‑x Te x (x=0\\text{--}3 ) systems. While the external pressure suppresses the metallic behaviour of Bi2Se3 arising from defect charge carriers leading ultimately to non-metal behaviour, the effect of pressure on Te-doped samples x=1\\text{--}2 seems to be more striking, and causes multiple electronic phase transitions such as an insulator-to-metal transition (MIT) followed by pressure-induced superconducting transition at higher pressures. All the critical parameters such as critical pressure for the occurrence of MIT (PMIT}) , superconductivity (PSC}) and maximum pressure induced superconducting transition temperature (Tc,max}) for given compositions are seen to exhibit maxima at x=1.6 which is the composition that exhibits the most insulating behaviour with least concentration of defect charge carriers among the samples of Bi2Se3‑x Te x (x=0\\text{--}3 ) series. The superconducting transition temperature (Tc}) decreases with increasing pressure in x=1\\text{--}2 samples, while it remains nearly constant for Bi2Te3. Based on the analysis of the experimental data it is surmised that the pressure-induced superconductivity seen in these systems is of conventional (BCS) type.

Acoustical phonon anomaly in the Raman spectra of intermediate valent TmSe 1-xTe x and Tm xSe

NASA Astrophysics Data System (ADS)

Treindl, A.; Wachter, P.

1980-12-01

In the Raman spectra of intermediate valent TmSe 1- xTe x the same anomaly within the acoustical phonon band at 60 cm -1 is found as in Tm xSe. The connection of this anomaly with the valence mixing is confirmed. In a one-dimensional model calculation it is shown that a renormalized LA dispersion curve can produce the observed anomalous peak in the phonon DOS. As an alternative interpretation the possibility of a low energy electronic excitation at 60 cm -1 is discussed.

Local and electronic structure around manganese in Cd0.98Mn0.02Te0.97Se0.03 studied by XAFS

NASA Astrophysics Data System (ADS)

Radisavljević, I.; Novaković, N.; Romčević, N.; Ivanović, N.

2013-04-01

X-ray Absorption Fine Structure (XAFS) technique was employed to study local electronic and structural features of Mn ions incorporated in Cd0.98Mn0.02Te0.97Se0.03. XAFS measurements performed at Mn K edge revealed that manganese Mn(II) ions are well incorporated into the host CdTe lattice (cubic zinc-blende structure type) and their immediate surrounding is found to be composed exclusively of Te atoms. The observed preference of Mn ions distribution around Te opposes earlier observations on the similar systems, where preferential Mn-Se over Mn-Te paring was found.

High-Output-Power Densities from MBE-grown n- and p-Type PbTeSe-based Thermoelectrics via Improved Contact Metallization

DTIC Science & Technology

2011-10-19

is uncertain . . The results of these various studies seem consistent that the Fermi . level at the surface of PbTe or Pbi -xSnxTe is not inherently...Both sides: ~T=220"C n-type IS am P!!I~:Ii SE+l9 n++ 200 nm Til Device P=30W/cm2 1001!!!1 Pbi ~Se 3.5E+I8 a+ NDLS ISO am PI!I!::Bi SE+19 a++ 200nmNil

Antiphase Boundaries in the Turbostratically Disordered Misfit Compound (BiSe)(1+δ)NbSe2.

PubMed

Mitchson, Gavin; Falmbigl, Matthias; Ditto, Jeffrey; Johnson, David C

2015-11-02

(BiSe)(1+δ)NbSe2 ferecrystals were synthesized in order to determine whether structural modulation in BiSe layers, characterized by periodic antiphase boundaries and Bi-Bi bonding, occurs. Specular X-ray diffraction revealed the formation of the desired compound with a c-axis lattice parameter of 1.21 nm from precursors with a range of initial compositions and initial periodicities. In-plane X-ray diffraction scans could be indexed as hk0 reflections of the constituents, with a rectangular basal BiSe lattice and a trigonal basal NbSe2 lattice. Electron micrographs showed extensive turbostratic disorder in the samples and the presence of periodic antiphase boundaries (approximately 1.5 nm periodicity) in BiSe layers oriented with the [110] direction parallel to the zone axis of the microscope. This indicates that the structural modulation in the BiSe layers is not due to coherency strain resulting from commensurate in-plane lattices. Electrical transport measurements indicate that holes are the dominant charge carrying species, that there is a weak decrease in resistivity as temperature decreases, and that minimal charge transfer occurs from the BiSe to NbSe2 layers. This is consistent with the lack of charge transfer from the BiX to the TX2 layers reported in misfit layer compounds where antiphase boundaries were observed. This suggests that electronic considerations, i.e., localization of electrons in the Bi-Bi pairs at the antiphase boundaries, play a dominant role in stabilizing the structural modulation.

A Micro-Raman Study of Exfoliated Few-Layered n-Type Bi2Te2.7Se0.3 (Postprint)

DTIC Science & Technology

2017-11-28

filtering process. 15. SUBJECT TERMS thermoelectric (TE); bulk n-type Bi2Te2.7Se0.3; chemical or mechanical exfoliation; densification; restacking...enhanced TE properties via the energy filtering process. Bulk pristine (undoped) and doped Bi2Te3 are some of the most efficient room temperature...and charged defect scattering dominates. Puneet et al. attributed the increase in n to selective filtering of charge carriers by positively charged

Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12}: Solid-state synthesis, structure determination, and characterization of two new quaternary mixed metal oxides containing asymmetric coordination environment

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

Bang, Seong-eun; Pan, Zhi; Kim, Yeong Hun

Two new quaternary yttrium molybdenum selenium/tellurium oxides, Y{sub 2}MoSe{sub 3}O{sub 12} and Y{sub 2}MoTe{sub 3}O{sub 12} have been prepared by standard solid-state reactions using Y{sub 2}O{sub 3}, MoO{sub 3}, and SeO{sub 2} (or TeO{sub 2}) as reagents. Single-crystal X-ray diffraction was used to determine the crystal structures of the reported materials. Although both of the materials contain second-order Jahn–Teller (SOJT) distortive cations and are stoichiometrically similar, they reveal different structural features: while Y{sub 2}MoSe{sub 3}O{sub 12} shows a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} groups, Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed ofmore » YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} polyhedra. With the Mo{sup 6+} cations in Y{sub 2}MoSe{sub 3}O{sub 12}, a C{sub 3}-type intraoctahedral distortion toward a face is observed, in which the direction of the out-of-center distortion for Mo{sup 6+} is away from the oxide ligand linked to a Se{sup 4+} cation. The Se{sup 4+} and Te{sup 4+} cations in both materials are in asymmetric coordination environment attributed to the lone pairs. Elemental analyses, infrared spectroscopy, thermal analyses, intraoctahedral distortions, and dipole moment calculations for the compounds are also presented. - Graphical abstract: Y{sub 2}MoSe{sub 3}O{sub 12} reveals a three-dimensional framework consisting of YO{sub 8}, MoO{sub 6}, and SeO{sub 3} polyhedra, whereas Y{sub 2}MoTe{sub 3}O{sub 12} exhibits a layered structure composed of YO{sub 8}, MoO{sub 4}, TeO{sub 3}, and TeO{sub 4} groups. - Highlights: • Two new selenite and tellurite (Y{sub 2}MoQ{sub 3}O{sub 12}; Q=Se and Te) are synthesized. • Y{sub 2}MoQ{sub 3}O{sub 12} contain second-order Jahn–Teller distortive cations in asymmetric environments. • The intra-octahedral distortion of the Mo{sup 6+} is influenced by the Se{sup 4+}.« less

Thermoelectric Properties of Cu-Doped n-Type Bi2Te2.85Se0.15 Prepared by Liquid Phase Growth Using a Sliding Boat

NASA Astrophysics Data System (ADS)

Kitagawa, Hiroyuki; Matsuura, Tsukasa; Kato, Toshihito; Kamata, Kin-ya

2015-06-01

N-type Bi2Te2.85Se0.15 thermoelectric materials were prepared by liquid phase growth (LPG) using a sliding boat, a simple and short fabrication process for Bi2Te3-related materials. Cu was selected as a donor dopant, and its effect on thermoelectric properties was investigated. Thick sheets and bars of Cu x Bi2 Te2.85Se0.15 ( x=0-0.25) of 1-2mm in thickness were obtained using the process. X-ray diffraction patterns and scanning electron micrographs showed that the in-plane direction tended to correspond to the hexagonal c-plane, which is the preferred direction for thermoelectric conversion. Cu-doping was effective in controlling conduction type and carrier (electron) concentration. The conduction type was p-type for undoped Bi2Te2.85Se0.15 and became n-type after Cu-doping. The Hall carrier concentration was increased by Cu-doping. Small resistivity was achieved in Cu0.02Bi2Te2.85Se0.15 owing to an optimized amount of Cu-doping and high crystal orientation. As a result, the maximum power factor near 310K for Cu0.02Bi2Te2.85Se0.15 was approximately 4×10-3W/K2m and had good reproducibility. Furthermore, the thermal stability of Cu0.02Bi2Te2.85Se0.15 was also confirmed by thermal cycling measurements of electrical resistivity. Thus, n-type Bi2Te2.85Se0.15 with a large power factor was prepared using the present LPG process.

Preparation and structure of BiCrTeO{sub 6}: A new compound in Bi–Cr–Te–O system. Thermal expansion studies of Cr{sub 2}TeO{sub 6}, Bi{sub 2}TeO{sub 6} and BiCrTeO{sub 6}

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

Vats, Bal Govind; Phatak, Rohan; Krishnan, K.

Graphical abstract: A new compound BiCrTeO{sub 6} in the Bi–Cr–Te–O system was prepared by solid state route and characterized by X-ray diffraction method. The crystal structure of BiCrTeO{sub 6} shows that there is one distinct site for bismuth (Bi) atom (pink color), one chromium rich (Cr/Te = 68/32) (blue/green color), one tellurium rich (Te/Cr = 68/32) sites (green/blue color), and one distinct site for oxygen (O) atom (red color) in the unit cell. All cations in this structure show an octahedral coordination with oxygen atoms at the corners. The thermogram (TG) of the compound in air shows that it ismore » stable up to 1103 K and decomposes thereafter. The thermal expansion behaviour of BiCrTeO{sub 6} was studied using high temperature X-ray diffraction method from room temperature to 923 K under vacuum of 10{sup −8} atmosphere and showed positive thermal expansion with the average volume thermal expansion coefficients of 16.0 × 10{sup −6}/K. - Highlights: • A new compound BiCrTeO{sub 6} in Bi–Cr–Te–O system was prepared and characterized. • The crystal structure of BiCrTeO{sub 6} was determined by Rietveld refinement method. • The structure of BiCrTeO{sub 6} shows an octahedral coordination for all the metal ions. • The thermal expansion behavior of BiCrTeO{sub 6} from room temperature to 923 K showed a positive thermal expansion. • The average volume thermal expansion coefficient for BiCrTeO{sub 6} is 16.0 × 10{sup −6}/K. - Abstract: A new compound BiCrTeO{sub 6} in Bi–Cr–Te–O system was prepared by solid state reaction of Bi{sub 2}O{sub 3}, Cr{sub 2}O{sub 3} and H{sub 6}TeO{sub 6} in oxygen and characterized by X-ray diffraction (XRD) method. It could be indexed on a trigonal lattice, with the space group P-31c, unit cell parameters a = 5.16268(7) Å and c = 9.91861(17) Å. The crystal structure of BiCrTeO{sub 6} was determined by Rietveld refinement method using the powder XRD data. Structure shows that there is one

Molecular beam epitaxy growth of PbSe on Si (211) using a ZnTe buffer layer

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

Wang, X. J.; Chang, Y.; Hou, Y. B.

2011-09-15

The authors report the results of successful growth of single crystalline PbSe on Si (211) substrates with ZnTe as a buffer layer by molecular beam epitaxy. Single crystalline PbSe with (511) orientation was achieved on ZnTe/Si (211), as evidenced by RHEED patterns indicative of 2 dimensional (2D) growth, x ray diffraction rocking curves with a full width at half maximum as low as 153 arc sec and mobility as large as 1.1x10{sup 4}cm{sup 2}V{sup -1}s{sup -1} at 77 K. Cross hatch patterns were found on the PbSe(511) surface in Nomarski filtered microscope images suggesting the presence of a surface thermalmore » strain relaxation mechanism, which was confirmed by Fourier transformed high resolution transmission electron microscope images.« less

New pathway for the formation of metallic cubic phase Ge-Sb-Te compounds induced by an electric current

PubMed Central

Park, Yong-Jin; Cho, Ju-Young; Jeong, Min-Woo; Na, Sekwon; Joo, Young-Chang

2016-01-01

The novel discovery of a current-induced transition from insulator to metal in the crystalline phase of Ge2Sb2Te5 and GeSb4Te7 have been studied by means of a model using line-patterned samples. The resistivity of cubic phase Ge-Sb-Te compound was reduced by an electrical current (~1 MA/cm2), and the final resistivity was determined based on the stress current density, regardless of the initial resistivity and temperature, which indicates that the conductivity of Ge-Sb-Te compound can be modulated by an electrical current. The minimum resistivity of Ge-Sb-Te materials can be achieved at high kinetic rates by applying an electrical current, and the material properties change from insulating to metallic behavior without a phase transition. The current-induced metal transition is more effective in GeSb4Te7 than Ge2Sb2Te5, which depends on the intrinsic vacancy of materials. Electromigration, which is the migration of atoms induced by a momentum transfer from charge carriers, can easily promote the rearrangement of vacancies in the cubic phase of Ge-Sb-Te compound. This behavior differs significantly from thermal annealing, which accompanies a phase transition to the hexagonal phase. This result suggests a new pathway for modulating the electrical conductivity and material properties of chalcogenide materials by applying an electrical current. PMID:26902593

Biogenic SeNPs from Bacillus mycoides SelTE01 and Stenotrophomonas maltophilia SelTE02: Characterization with reference to their associated organic coating

NASA Astrophysics Data System (ADS)

Piacenza, Elena; Bulgarini, Alessandra; Lampis, Silvia; Vallini, Giovanni; Turner, Raymond J.

2017-08-01

The exploitation of biological systems (i.e. plants, fungi and bacteria) for the production of nanomaterials relies on their ability to bioconvert toxic metal(loid) ions into their less toxic and bioavailable elemental states forming mainly nanoparticles (NPs) or nanorods (NRs). Further, these methods of nanomaterial production are nowadays recognized as eco-friendly alternatives to the chemical synthesis processes. A common feature among the so-called biogenic nanomaterials is the presence of an organic layer surrounding them. However, we are just learning the existing relation between biogenic nanostructures and their organic material. Our work is focused on the study of bacterial strains for the production of selenium nanoparticles (SeNPs) as end product of selenite (SeO32 -) bioconversion. In this context, our previous reports described the ability of two bacteria, namely Bacillus mycoides SelTE01 and Stenotrophomonas maltophilia SelTE02, to generate SeNPs, which were surrounded by organic material. Here, the potential role of this organic material as stabilizing agent of SeNPs was investigated altering both the bacteria cells culturing and the SeNPs extraction procedure, in order to understand the interaction between these two elements in suspension. As a result, SeNPs produced by both bacterial strains showed the tendency to aggregate when subjected to the treatments tested, suggesting an involvement of the surrounding organic material in their stabilization in suspension.

Effect of Te substitution on crystal structure and transport properties of AgBiSe2 thermoelectric material.

PubMed

Goto, Y; Nishida, A; Nishiate, H; Murata, M; Lee, C H; Miura, A; Moriyoshi, C; Kuroiwa, Y; Mizuguchi, Y

2018-02-20

Silver bismuth diselenide (AgBiSe 2 ) has attracted much attention as an efficient thermoelectric material, owing to its intrinsically low lattice thermal conductivity. While samples synthesized using a solid-state reaction showed n-type conductivity and their dimensionless figure of merit (ZT) reached ∼1 by electron doping, theoretical calculations predicted that a remarkably high thermoelectric performance can be achieved in p-type AgBiSe 2 . In this paper, we present the effect of Te substitution on the crystal structure and thermoelectric properties of AgBiSe 2 , expecting p-type conductivity due to the shallowing of the energy potential of the valence band. We found that all AgBiSe 2-x Te x (x = 0-0.8) prepared using a solid-state reaction exhibits n-type conductivity from 300 to 750 K. The room-temperature lattice thermal conductivity decreased to as low as 0.3 W m -1 K -1 by Te substitution, which was qualitatively described using the point defect scattering model for the solid solution. We show that ZT reaches ∼0.6 for x = 0.8 at a broad range of temperatures, from 550 to 750 K, due to the increased power factor, although the carrier concentration has not been optimized yet.

Atomistic simulations of the optical absorption of type-II CdSe/ZnTe superlattices

PubMed Central

2012-01-01

We perform accurate tight binding simulations to design type-II short-period CdSe/ZnTe superlattices suited for photovoltaic applications. Absorption calculations demonstrate a very good agreement with optical results with threshold strongly depending on the chemical species near interfaces. PMID:23031315

The lunar core can be a major reservoir for volatile elements S, Se, Te and Sb.

PubMed

Steenstra, Edgar S; Lin, Yanhao; Dankers, Dian; Rai, Nachiketa; Berndt, Jasper; Matveev, Sergei; van Westrenen, Wim

2017-11-06

The Moon bears a striking compositional and isotopic resemblance to the bulk silicate Earth (BSE) for many elements, but is considered highly depleted in many volatile elements compared to BSE due to high-temperature volatile loss from Moon-forming materials in the Moon-forming giant impact and/or due to evaporative loss during subsequent magmatism on the Moon. Here, we use high-pressure metal-silicate partitioning experiments to show that the observed low concentrations of volatile elements sulfur (S), selenium (Se), tellurium (Te), and antimony (Sb) in the silicate Moon can instead reflect core-mantle equilibration in a largely to fully molten Moon. When incorporating the core as a reservoir for these elements, their bulk Moon concentrations are similar to those in the present-day bulk silicate Earth. This suggests that Moon formation was not accompanied by major loss of S, Se, Te, Sb from Moon-forming materials, consistent with recent indications from lunar carbon and S isotopic compositions of primitive lunar materials. This is in marked contrast with the losses of other volatile elements (e.g., K, Zn) during the Moon-forming event. This discrepancy may be related to distinctly different cosmochemical behavior of S, Se, Te and Sb within the proto-lunar disk, which is as of yet virtually unconstrained.

Recent Progress in Nanoelectrical Characterizations of CdTe and Cu(In,Ga)Se2

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

Jiang, Chun-Sheng; To, Bobby; Glynn, Stephen

2016-11-21

We report two recent nanoelectrical characterizations of CdTe and Cu(In, Ga)Se2 (CIGS) thin-film solar cells by developing atomic force microscopy-based nanoelectrical probes. Charges trapped at defects at the CdS/CdTe interface were probed by Kelvin probe force microscopy (KPFM) potential mapping and by ion-milling the CdTe superstrate device in a bevel glancing angle of ~0.5 degrees. The results show randomly distributed donor-like defects at the interface. The effect of K post-deposition treatment on the near-surface region of the CIGS film was studied by KPFM potential and scanning spreading resistance microscopy (SSRM) resistivity mapping, which shows passivation of grain-boundary potential and improvementmore » of resistivity uniformity by the K treatment.« less

Effects of high-energy proton irradiation on the superconducting properties of Fe(Se,Te) thin films

NASA Astrophysics Data System (ADS)

Sylva, G.; Bellingeri, E.; Ferdeghini, C.; Martinelli, A.; Pallecchi, I.; Pellegrino, L.; Putti, M.; Ghigo, G.; Gozzelino, L.; Torsello, D.; Grimaldi, G.; Leo, A.; Nigro, A.; Braccini, V.

2018-05-01

In this paper we explore the effects of 3.5 MeV proton irradiation on Fe(Se,Te) thin films grown on CaF2. In particular, we carry out an experimental investigation with different irradiation fluences up to 7.30 · 1016 cm‑2 and different proton implantation depths, in order to clarify whether and to what extent the critical current is enhanced or suppressed, what are the effects of irradiation on the critical temperature, resistivity, and critical magnetic fields, and finally what is the role played by the substrate in this context. We find that the effect of irradiation on superconducting properties is generally small compared to the case of other iron-based superconductors. The irradiation effect is more evident on the critical current density Jc, while it is minor on the transition temperature Tc, normal state resistivity ρ, and on the upper critical field Hc2 up to the highest fluences explored in this work. In more detail, our analysis shows that when protons implant in the substrate far from the superconducting film, the critical current can be enhanced up to 50% of the pristine value at 7 T and 12 K; meanwhile, there is no appreciable effect on critical temperature and critical fields together with a slight decrease in resistivity. On the contrary, when the implantation layer is closer to the film–substrate interface, both critical current and temperature show a decrease accompanied by an enhancement of the resistivity and lattice strain. This result evidences that possible modifications induced by irradiation in the substrate may affect the superconducting properties of the film via lattice strain. The robustness of the Fe(Se,Te) system to irradiation-induced damage makes it a promising compound for the fabrication of magnets in high-energy accelerators.

Compositional homogeneity and X-ray topographic analyses of CdTe xSe 1-x grown by the vertical Bridgman technique

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

Roy, U. N.; Bolotnikov, A. E.; Camarda, G. S.

2015-02-01

We grew CdTe xSe 1-x crystals with nominal Se concentrations of 5%, 7%, and 10% by the vertical Bridgman technique, and evaluated their compositional homogeneity and structural quality at the NSLS’ X-ray fluorescence and white beam X-ray topography beam lines. Both X-ray fluorescence and photoluminescence mapping revealed very high compositional homogeneity of the CdTe xSe 1-x crystals. Here, we noted that those crystals with higher concentrations of Se were more prone to twinning than those with a lower content. The crystals were fairly free from strains and contained low concentrations of sub-grain boundaries and their networks.

Aqueous-Processed Inorganic Thin-Film Solar Cells Based on CdSe(x)Te(1-x) Nanocrystals: The Impact of Composition on Photovoltaic Performance.

PubMed

Zeng, Qingsen; Chen, Zhaolai; Zhao, Yue; Du, Xiaohang; Liu, Fangyuan; Jin, Gan; Dong, Fengxia; Zhang, Hao; Yang, Bai

2015-10-21

Aqueous processed nanocrystal (NC) solar cells are attractive due to their environmental friendliness and cost effectiveness. Controlling the bandgap of absorbing layers is critical for achieving high efficiency for single and multijunction solar cells. Herein, we tune the bandgap of CdTe through the incorporation of Se via aqueous process. The photovoltaic performance of aqueous CdSexTe1-x NCs is systematically investigated, and the impacts of charge generation, transport, and injection on device performance for different compositions are deeply discussed. We discover that the performance degrades with the increasing Se content from CdTe to CdSe. This is mainly ascribed to the lower conduction band (CB) of CdSexTe1-x with higher Se content, which reduces the driving force for electron injection into TiO2. Finally, the performance is improved by mixing CdSexTe1-x NCs with conjugated polymer poly(p-phenylenevinylene) (PPV), and power conversion efficiency (PCE) of 3.35% is achieved based on ternary NCs. This work may provide some information to further optimize the aqueous-processed NC and hybrid solar cells.

Electronic structures of of PuX (X=S, Se, Te)

NASA Astrophysics Data System (ADS)

Maehira, Takahiro; Sakai, Eijiro; Tatetsu, Yasutomi

2013-08-01

We have calculated the energy band structures and the Fermi surfaces of PuS, PuSe, and PuTe by using a self-consistent relativistic linear augmented-plane-wave method with the exchange and correlation potential in the local density approximation. In general, the energy bands near the Fermi level are mainly caused by the hybridization between the Pu 5 f and the monochalcogenide p electrons. The obtained main Fermi surfaces consisted of two hole sheets and one electron sheet, which were constructed from the band having both the Pu 5 f state and the monochalcogenide p state.

SPECTROSCOPIC INVESTIGATION OF (NH4)2S TREATED GaSeTe FOR RADIATION DETECTOR APPLICATIONS

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

Nelson, A; Laurence, T; Conway, A

2009-08-04

The surface of the layered III-VI chalcogenide semiconductor GaSeTe was treated with (NH{sub 4}){sub 2}S at 60 C to modify the surface chemistry and determine the effect on transport properties. Room temperature photoluminescence (PL) measurements were used to assess the effect of the (NH{sub 4}){sub 2}S treatment on surface defect states. Evaluation of the subsequent surface chemistry was performed with high-resolution core-level photoemission measurements. Metal overlayers were deposited on the (NH{sub 4}){sub 2}S treated surfaces and the I-V characteristics were measured. The measurements were correlated to understand the effect of (NH{sub 4}){sub 2}S modification of the interfacial electronic structure withmore » the goal of optimizing the metal/GaSeTe interface for radiation detector devices.« less

The effect of Se/Te ratio on transient absorption behavior and nonlinear absorption properties of CuIn0.7Ga0.3(Se1-xTex)2 (0 ≤ x ≤ 1) amorphous semiconductor thin films

NASA Astrophysics Data System (ADS)

Karatay, Ahmet; Küçüköz, Betül; Çankaya, Güven; Ates, Aytunc; Elmali, Ayhan

2017-11-01

The characterization of the CuInSe2 (CIS), CuInGaSe (CIGS) and CuGaSe2 (CGS) based semiconductor thin films are very important role for solar cell and various nonlinear optical applications. In this paper, the amorphous CuIn0.7Ga0.3(Se1-xTex)2 semiconductor thin films (0 ≤ x ≤ 1) were prepared with 60 nm thicknesses by using vacuum evaporation technique. The nonlinear absorption properties and ultrafast transient characteristics were investigated by using open aperture Z-scan and ultrafast pump-probe techniques. The energy bandgap values were calculated by using linear absorption spectra. The bandgap values are found to be varying from 0.67 eV to 1.25 eV for CuIn0.7Ga0.3Te2, CuIn0.7Ga0.3Se1.6Te0.4, CuIn0.7Ga0.3Se0.4Te1.6 and CuIn0.7Ga0.3Se2 thin films. The energy bandgap values decrease with increasing telluride (Te) doping ratio in mixed CuIn0.7Ga0.3(Se1-xTex)2 films. This affects nonlinear characteristics and ultrafast dynamics of amorphous thin films. Ultrafast pump-probe experiments indicated that decreasing of bandgap values with increasing the Te amount switches from the excited state absorption signals to ultrafast bleaching signals. Open aperture Z-scan experiments show that nonlinear absorption properties enhance with decreasing bandgaps values for 65 ps pulse duration at 1064 nm. Highest nonlinear absorption coefficient was found for CuIn0.7Ga0.3Te2 thin film due to having the smallest energy bandgap.

Chloroform molecules donate hydrogen bonds to S, Se, and Te acceptors: evidence from a published series of terminal chalcogenido complexes

NASA Astrophysics Data System (ADS)

Steiner, Thomas

1998-06-01

Structural data on three chalcogenido complexes published by M. C. Kuchta and G. Parkin, J. Chem. Soc., Chem. Commun. (1994) 1351, provide sound evidence that chloroform molecules can donate hydrogen bonds to S, Se and Te acceptors. This is the first documented example of CHżTe hydrogen bonding. The HżTe distance is only 2.67 Å.

Multiband nodeless superconductivity near the charge-density-wave quantum critical point in ZrTe3-x Se x

NASA Astrophysics Data System (ADS)

Shan, Cui; Lan-Po, He; Xiao-Chen, Hong; Xiang-De, Zhu; Cedomir, Petrovic; Shi-Yan, Li

2016-07-01

It was found that selenium doping can suppress the charge-density-wave (CDW) order and induce bulk superconductivity in ZrTe3. The observed superconducting dome suggests the existence of a CDW quantum critical point (QCP) in ZrTe3-x Se x near x ≈ 0.04. To elucidate the superconducting state near the CDW QCP, we measure the thermal conductivity of two ZrTe3-x Se x single crystals (x = 0.044 and 0.051) down to 80 mK. For both samples, the residual linear term κ 0/T at zero field is negligible, which is a clear evidence for nodeless superconducting gap. Furthermore, the field dependence of κ 0/T manifests a multigap behavior. These results demonstrate multiple nodeless superconducting gaps in ZrTe3-x Se x , which indicates conventional superconductivity despite of the existence of a CDW QCP. Project supported by the National Basic Research Program of China (Grant Nos. 2012CB821402 and 2015CB921401), the National Natural Science Foundation of China (Grant Nos. 91421101, 11422429, and 11204312), the Program for Professor of Special Appointment (Eastern Scholar) at Shanghai Institutions of Higher Learning, China, and STCSM of China (Grant No. 15XD1500200). Work at Brookhaven National Laboratory was supported by the US DOE under Contract No. DESC00112704.

Single layer of MX3(M = Ti, Zr; X = S, Se, Te): a new platform for nano-electronics and optics

NASA Astrophysics Data System (ADS)

Jin, Yingdi; Li, Xingxing; Yang, Jinlong

A serial of two dimensional titanium and zirconium trichalcogenides nanosheets MX3 (M=Ti, Zr; X=S, Se, Te) are investigated based on first-principles calculations. The evaluated low cleavage energy indicates that stable two dimensional monolayers can be exfoliated from their bulk crystals in experiment. Electronic studies reveal very rich electronic properties in these monolayers, including metallic TiTe3 and ZrTe3, direct band gap semiconductor TiS3 and indirect band gap semiconductors TiSe3, ZrS3 and ZrSe3. The band gaps of all the semiconductors are between 0.57~1.90 eV, which implies their potential applications in nano-electronics. And the calculated effective masses demonstrate highly anisotropic conduction properties for all the semiconductors. Optically, TiS3 and TiSe3 monolayers exhibit good light absorption in the visible and near-infrared region respectively, indicating their potential applications in optical devices. In particular, the highly anisotropic optical absorption of TiS3 monolayer suggests it could be used in designing nano optical waveguide polarizers.

GaSe and GaTe anisotropic layered semiconductors for radiation detectors

NASA Astrophysics Data System (ADS)

Mandal, Krishna C.; Choi, Michael; Kang, Sung Hoon; Rauh, R. David; Wei, Jiuan; Zhang, Hui; Zheng, Lili; Cui, Y.; Groza, M.; Burger, A.

2007-09-01

High quality detector grade GaSe and GaTe single crystals have been grown by a modified vertical Bridgman technique using high purity Ga (7N) and in-house zone refined (ZR) precursor materials (Se and Te). A state-of-the-art computer model, MASTRAPP, is used to model heat and mass transfer in the Bridgman growth system and to predict the stress distribution in the as-grown crystals. The model accounts for heat transfer in the multiphase system, convection in the melt, and interface dynamics. The crystals harvested from ingots of 8-10 cm length and 2.5 cm diameter, have been characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM), Raman spectroscopy, low temperature photoluminescence (PL), atomic force microscopy (AFM), and optical absorption/transmission measurements. Single element devices up to 1 cm2 in area have been fabricated from the crystals and tested as radiation detectors by measuring current-voltage (I-V) characteristics and pulse height spectra using 241Am source. The crystals have shown high promise as nuclear detectors with their high dark resistivity (>=10 9 Ω .cm), good charge transport properties (μτ e ~ 1.4x10 -5 cm2/V and μτ h ~ 1.5x10 -5 cm2/V), and relatively good energy resolution (~4% energy resolution at 60 keV). Details of numerical modeling and simulation, detector fabrication, and testing using a 241Am energy source (60 keV) is presented in this paper.

Thermally activated flux flow in FeSe0.5Te0.5 superconducting single crystal

NASA Astrophysics Data System (ADS)

Hamad, R. M.; Kayed, T. S.; Kunwar, S.; Ziq, Kh A.

2017-07-01

The current-voltage (J-E) isotherms of single crystal FeSe0.5Te0.5 sample have been measured at several temperatures near the transition temperature (Tc) and under applied magnetic fields (H). A power law (E ˜ Jβ ) has been used to fit the data and evaluate the activation energy Uo (T) using β = Uo/kBT. At low current density (J << Jc), the initial behaviour is associated with thermally activated flux Flow (TAFF) while at J >> Jc vortex flux flow (FF) behavior is expected. The effects of applied magnetic field on FF and TAFF also been investigated. We found that Uo(FF) was reduced with by about an order of magnitude in magnetic fields as low as ˜1.5 Tesla-the reduction in Uo(TAFF) is even faster than in Uo(FF)-hence reflecting the low pinning nature (defects, vacancies etc.) of FeSe0.5Te0.5 superconductor.

MSM optical detector on the basis of II-type ZnSe/ZnTe superlattice

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

Kuznetzov, P. I., E-mail: pik218@ire216.msk.su; Averin, S. V., E-mail: sva278@ire216.msk.su; Zhitov, V. A.

2017-02-15

On the basis of a type-II ZnSe/ZnTe superlattice, a MSM (metal—semiconductor–metal) photodetector is fabricated and investigated. The detector features low dark currents and a high sensitivity. The spectral characteristic of the detector provides the possibility of the selective detection of three separate spectral portions of visible and near-infrared radiation.

Atomistic tight-binding computations of the structural and optical properties of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak

2018-05-01

A study of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals is carried out using atomistic tight-binding theory and the configuration interaction method to provide information for applications in bioimaging, biolabeling, display devices and near-infrared electronic instruments. The calculations yield the dependences of the internal and external passivated shells on the natural behaviours of CdTe/CdX (X=S and Se)/ZnS core/shell/shell nanocrystals. The reduction of the optical band gaps is observed with increasing numbers of monolayers in the external ZnS shell due to quantum confinement. Interestingly, the optical band gaps of CdTe/CdS/ZnS core/shell/shell nanocrystals are greater than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. In the presence of an external ZnS-coated shell, electron-hole wave function overlaps, oscillation strengths, ground-state exchange energies and Stokes shift are improved, whereas ground-state coulomb energies and fine-structure splitting are reduced. The oscillation strengths, Stokes shift and fine-structure splitting are reduced with the increase in external ZnS shell thickness. The oscillation strengths, Stokes shift and fine-structure splitting of CdTe/CdS/ZnS core/shell/shell nanocrystals are larger than those of CdTe/CdSe/ZnS core/shell/shell nanocrystals. Reduction of the atomistic electron-hole interactions is observed with increasing external ZnS shell size. The strong electron-hole interactions are more probed in CdTe/CdS/ZnS core/shell/shell nanocrystals than in CdTe/CdSe/ZnS core/shell/shell nanocrystals.

Structural and Thermal Diffusivity Studies of Polycrystalline (CuSe)1-XSeX Metal Chalcogenide Compound

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

Josephine, L. Y. C.; Talib, Z. A.; Yunus, W. M. M.

2007-05-09

This paper reports the preparation and the characterization of the (CuSe)1-xSex metal chalcogenide semiconductor compounds with different stoichiometric compositions of Se (x = 0, 0.2, 0.4, 0.5, 0.6, 0.8, 1.0) in bulk form. The (CuSe)1-xSex compounds were prepared using the solid state reaction by varying the ratio of CuSe:Se in the reaction mixture. X-ray powder diffraction analysis is used to identify and measure the mass absorption coefficient of the (CuSe)1-xSex compounds to support the thermal diffusivity behaviour. The thermal diffusivity of the polycrystalline (CuSe)1-xSex compounds were measured and analyzed for the first time, using the photoflash technique. The thermal diffusivitymore » values were determined to be in the range of 2.524 x 10-3 cm2/s to 1.125 x 10-2 cm2/s. It was found that the thermal diffusivity value tends to decrease as the parameter x increases. The relationship between the thermal diffusivity, mass absorption coefficient and density of the (CuSe)1-xSex are discussed in detail.« less

High absorption coefficients of the CuSb(Se,Te)2 and CuBi(S,Se)2 alloys enable high-efficient 100 nm thin-film photovoltaics

NASA Astrophysics Data System (ADS)

Chen, Rongzhen; Persson, Clas

2017-06-01

We demonstrate that the band-gap energies Eg of CuSb(Se,Te)2 and CuBi(S,Se)2 can be optimized for high energy conversion in very thin photovoltaic devices, and that the alloys then exhibit excellent optical properties, especially for tellurium rich CuSb(Se1-xTex)2. This is explained by multi-valley band structure with flat energy dispersions, mainly due to the localized character of the Sb/Bi p-like conduction band states. Still the effective electron mass is reasonable small: mc ≈ 0.25m0 for CuSbTe2. The absorption coefficient α(ω) for CuSb(Se1-xTex)2 is at ħω = Eg + 1 eV as much as 5-7 times larger than α(ω) for traditional thin-film absorber materials. Auger recombination does limit the efficiency if the carrier concentration becomes too high, and this effect needs to be suppressed. However with high absorptivity, the alloys can be utilized for extremely thin inorganic solar cells with the maximum efficiency ηmax ≈ 25% even for film thicknesses d ≈ 50 - 150 nm, and the efficiency increases to ˜30% if the Auger effect is diminished.

Superconductivity in the Narrow Gap Semiconductor RbBi 11/3Te 6

DOE PAGES

Malliakas, Christos D.; Chung, Duck Young; Claus, Helmut; ...

2016-10-16

Superconductivity was discovered in the layered compound RbBi 11/3Te 6, featuring Bi vacancies and a narrow band gap of 0.25(2) eV at room temperature. In addition, a sharp superconducting transition at similar to 3.2 K was observed in polycrystalline ingots. The superconducting volume fraction of oriented single crystals is almost 100%, confirming bulk superconductivity. Systematic Se and Sb substitutions in RbBi 11/3-ySb ySe xTe 6-x, revealed a dependence of the superconducting transition on composition that can increase the T c up to similar to 10%. The RbBi 11/3Te 6 system is the first member of the new homologous series Rb[Bimore » 2n+11/3Te 3n+6] with infinite Bi 2Te 3-like layers. Lastly, the large degree of chemical tunability of the electronic structure of the homology via doping and/or substitution gives rise to a new family of superconductors.« less

Fiber sensor on the basis of Ge26As17Se25Te32 glass for FEWS analysis

NASA Astrophysics Data System (ADS)

Velmuzhov, A. P.; Shiryaev, V. S.; Sukhanov, M. V.; Kotereva, T. V.; Churbanov, M. F.; Zernova, N. S.; Plekhovich, A. D.

2018-01-01

The high-purity Ge26As17Se25Te32 glass sample was prepared by chemical distillation purification method. This glass is characterized by high value of glass transition temperature (263°С), high optical transparency in the spectral range of 2-10 μm, and low content of residual impurities. The Ge26As17Se25Te32 glass rods were drawn into single-index fibers using the "rod" method and the single crucible technique. The optical losses in the 400 μm diameter fiber, fabricated by the "rod" method, were within 0.3-1 dB/m in the spectral range 5.2-9.3 μm. The minimum optical losses in the 320 μm diameter fiber, fabricated by the "crucible" technique, were 1.6-1.7 dB/m in the spectral range 6-8.5 μm. Using these Ge26As17Se25Te32 glass fibers as a sensor, the aqueous solutions of acetone (0-20 mol.%) and ethanol (0-90 mol.%) were analyzed by fiber evanescent wave spectroscopy. Peculiarities in the change of the integrated intensity and spectral position of absorption bands of these organic substances in dependence on the analyte composition and the length of the sensitive zone were established.

Influence of substrate type on transport properties of superconducting FeSe0.5Te0.5 thin films

NASA Astrophysics Data System (ADS)

Yuan, Feifei; Iida, Kazumasa; Langer, Marco; Hänisch, Jens; Ichinose, Ataru; Tsukada, Ichiro; Sala, Alberto; Putti, Marina; Hühne, Ruben; Schultz, Ludwig; Shi, Zhixiang

2015-06-01

FeSe0.5Te0.5 thin films were grown by pulsed laser deposition on CaF2, LaAlO3 and MgO substrates and structurally and electro-magnetically characterized in order to study the influence of the substrate on their transport properties. The in-plane lattice mismatch between FeSe0.5Te0.5 bulk and the substrate shows no influence on the lattice parameters of the films, whereas the type of substrate affects the crystalline quality of the films and, therefore, the superconducting properties. The film on MgO showed an extra peak in the angular dependence of critical current density Jc(θ) at θ = 180° (H||c), which arises from c-axis defects as confirmed by transmission electron microscopy. In contrast, no Jc(θ) peaks for H||c were observed in films on CaF2 and LaAlO3. Jc(θ) can be scaled successfully for both films without c-axis correlated defects by the anisotropic Ginzburg-Landau approach with appropriate anisotropy ratio γJ. The scaling parameter γJ is decreasing with decreasing temperature, which is different from what we observed in FeSe0.5Te0.5 films on Fe-buffered MgO substrates.

Experimental determination of the absorption cross-section and molar extinction coefficient of CdSe and CdTe nanowires.

PubMed

Protasenko, Vladimir; Bacinello, Daniel; Kuno, Masaru

2006-12-21

Absorption cross-sections and corresponding molar extinction coefficients of solution-based CdSe and CdTe nanowires (NWs) are determined. Chemically grown semiconductor NWs are made via a recently developed solution-liquid-solid (SLS) synthesis, employing low melting Au/Bi bimetallic nanoparticle "catalysts" to induce one-dimensional (1D) growth. Resulting wires are highly crystalline and have diameters between 5 and 12 nm as well as lengths exceeding 10 microm. Narrow diameters, below twice the corresponding bulk exciton Bohr radius of each material, place CdSe and CdTe NWs within their respective intermediate to weak confinement regimes. Supporting this are solution linear absorption spectra of NW ensembles showing blue shifts relative to the bulk band gap as well as structure at higher energies. In the case of CdSe, the wires exhibit band edge emission as well as strong absorption/emission polarization anisotropies at the ensemble and single-wire levels. Analogous photocurrent polarization anisotropies have been measured in recently developed CdSe NW photodetectors. To further support fundamental NW optical/electrical studies as well as to promote their use in device applications, experimental absorption cross-sections are determined using correlated transmission electron microscopy, UV/visible extinction spectroscopy, and inductively coupled plasma atomic emission spectroscopy. Measured CdSe NW cross-sections for 1 microm long wires (diameters, 6-42 nm) range from 6.93 x 10(-13) to 3.91 x 10(-11) cm2 at the band edge (692-715 nm, 1.73-1.79 eV) and between 3.38 x 10(-12) and 5.50 x 10(-11) cm2 at 488 nm (2.54 eV). Similar values are obtained for 1 microm long CdTe NWs (diameters, 7.5-11.5 nm) ranging from 4.32 x 10(-13) to 5.10 x 10(-12) cm2 at the band edge (689-752 nm, 1.65-1.80 eV) and between 1.80 x 10(-12) and 1.99 x 10(-11) cm2 at 2.54 eV. These numbers compare well with previous theoretical estimates of CdSe/CdTe NW cross-sections far to the blue of the

Optic phonon bandwidth and lattice thermal conductivity: The case of L i2X (X =O , S, Se, Te)

NASA Astrophysics Data System (ADS)

Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

2016-06-01

We examine the lattice thermal conductivities (κl) of L i2X (X =O ,S ,Se ,Te ) using a first-principles Peierls-Boltzmann transport methodology. We find low κl values ranging between 12 and 30 W m-1K-1 despite light Li atoms, a large mass difference between constituent atoms, and tightly bunched acoustic branches, all features that give high κl in other materials including BeSe (630 W m-1K-1 ), BeTe (370 W m-1K-1 ), and cubic BAs (3170 W m-1K-1 ). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict κl. Unlike typical simple systems (e.g., Si, GaAs, SiC), the dominant resistance to heat-carrying acoustic phonons in L i2Se and L i2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in L i2X materials. These considerations are important for the discovery and design of new materials for thermal management applications and give a more comprehensive understanding of thermal transport in crystalline solids.

Optic phonon bandwidth and lattice thermal conductivity: The case of L i 2 X ( X = O , S, Se, Te)

DOE PAGES

Mukhopadhyay, S.; Lindsay, L.; Parker, D. S.

2016-06-07

Here, we examine the lattice thermal conductivities ( l) of Li 2X (X=O, S, Se, Te) using a first-principles Peierls-Boltzmann transport methodology. We find low l values ranging between 12 and 30 W/m-K despite light Li atoms, a large mass difference between constituent atoms and tightly bunched acoustic branches, all features that give high l in other materials including BeSe (630 W/m -1K -1), BeTe (370 W/m -1K -1) and cubic BAs (3150 W/m -1K -1). Together these results suggest a missing ingredient in the basic guidelines commonly used to understand and predict l. Unlike typical simple systems (e.g., Si,more » GaAs, SiC), the dominant resistance to heat-carrying acoustic phonons in Li 2Se and Li 2Te comes from interactions of these modes with two optic phonons. These interactions require significant bandwidth and dispersion of the optic branches, both present in Li 2X materials. Finally, these considerations are important for the discovery and design of new materials for thermal management applications, and give a more comprehensive understanding of thermal transport in crystalline solids.« less

Systematic research on Ag2X (X = O, S, Se, Te) as visible and near-infrared light driven photocatalysts and effects of their electronic structures

NASA Astrophysics Data System (ADS)

Jiang, Wei; Wu, Zhaomei; Zhu, Yingming; Tian, Wen; Liang, Bin

2018-01-01

Four silver chalcogen compounds, Ag2O, Ag2S, Ag2Se and Ag2Te, can be utilized as visible-light-driven photocatalysts. In this research, the electronic structures of these compounds were analyzed by simulation and experiments to systematically reveal the relationship between photocatalytic performance and energetic structure. All four chalcogenides exhibited interesting photocatalytic activities under ultraviolet, visible and near-infrared light. However, their photocatalytic performances and stability significantly depended on the band gap width, and the valence band and conduct band position, which was determined by their composition. Increasing the X atomic number from O to Te resulted in the upward movement of the valence band top and the conduct band bottom, which resulted in narrower band gaps, a wider absorption spectrum, a weaker photo-oxidization capacity, a higher recombination probability of hole and electron pairs, lower quantum efficiency, and worse stability. Among them, Ag2O has the highest photocatalytic performance and stability due to its widest band gap and lowest position of VB and CB. The combined action of photogenerated holes and different radicals, depending on the different electronic structures, including anion ozone radical, hydroxide radical, and superoxide radical, was observed and understood. The results of experimental observations and simulations of the four silver chalcogen compounds suggested that a proper electronic structure is necessary to obtain a balance between photocatalytic performance and absorbable light region in the development of new photocatalysts.

Phenylselenolate Mercury Alkyl Compounds, PhSeHgMe and PhSeHgEt: Molecular Structures, Protolytic Hg–C Bond Cleavage and Phenylselenolate Exchange‡

PubMed Central

Yurkerwich, Kevin; Quinlivan, Patrick J.; Rong, Yi

2015-01-01

The phenylselenolate mercury alkyl compounds, PhSeHgMe and PhSeHgEt, have been structurally characterized by X-ray diffraction, thereby demonstrating that both compounds are monomeric with approximately linear coordination geometries; the mercury centers do, nevertheless, exhibit secondary Hg•••Se intermolecular interactions that serve to increase the coordination number in the solid state. The ethyl derivative, PhSeHgEt, undergoes facile protolytic cleavage of the Hg–C bond to release ethane at room temperature, whereas PhSeHgMe exhibits little reactivity under similar conditions. Interestingly, the cleavage of the Hg–C bond of PhSeHgEt is also more facile than that of the thiolate analogue, PhSHgEt, which demonstrates that coordination by selenium promotes protolytic cleavage of the mercury-carbon bond. The phenylselenolate compounds PhSeHgR (R = Me, Et) also undergo degenerate exchange reactions with, for example, PhSHgR and RHgCl. In each case, the alkyl groups preserve coupling to the 199Hg nuclei, thereby indicating that the exchange process involves metathesis of the Hg–SePh/Hg–X groups rather than metathesis of the Hg–R/Hg–R groups. PMID:26644634

Phenylselenolate Mercury Alkyl Compounds, PhSeHgMe and PhSeHgEt: Molecular Structures, Protolytic Hg-C Bond Cleavage and Phenylselenolate Exchange.

PubMed

Yurkerwich, Kevin; Quinlivan, Patrick J; Rong, Yi; Parkin, Gerard

2016-01-08

The phenylselenolate mercury alkyl compounds, PhSeHgMe and PhSeHgEt, have been structurally characterized by X-ray diffraction, thereby demonstrating that both compounds are monomeric with approximately linear coordination geometries; the mercury centers do, nevertheless, exhibit secondary Hg•••Se intermolecular interactions that serve to increase the coordination number in the solid state. The ethyl derivative, PhSeHgEt, undergoes facile protolytic cleavage of the Hg-C bond to release ethane at room temperature, whereas PhSeHgMe exhibits little reactivity under similar conditions. Interestingly, the cleavage of the Hg-C bond of PhSeHgEt is also more facile than that of the thiolate analogue, PhSHgEt, which demonstrates that coordination by selenium promotes protolytic cleavage of the mercury-carbon bond. The phenylselenolate compounds PhSeHgR (R = Me, Et) also undergo degenerate exchange reactions with, for example, PhSHgR and RHgCl. In each case, the alkyl groups preserve coupling to the 199 Hg nuclei, thereby indicating that the exchange process involves metathesis of the Hg-SePh/Hg-X groups rather than metathesis of the Hg-R/Hg-R groups.

Theoretical calculations of structural, electronic, and elastic properties of CdSe1-x Te x : A first principles study

NASA Astrophysics Data System (ADS)

M, Shakil; Muhammad, Zafar; Shabbir, Ahmed; Muhammad Raza-ur-rehman, Hashmi; M, A. Choudhary; T, Iqbal

2016-07-01

The plane wave pseudo-potential method was used to investigate the structural, electronic, and elastic properties of CdSe1-x Te x in the zinc blende phase. It is observed that the electronic properties are improved considerably by using LDA+U as compared to the LDA approach. The calculated lattice constants and bulk moduli are also comparable to the experimental results. The cohesive energies for pure CdSe and CdTe binary and their mixed alloys are calculated. The second-order elastic constants are also calculated by the Lagrangian theory of elasticity. The elastic properties show that the studied material has a ductile nature.

Optical properties and band alignments in ZnTe nanoparticles/MoS2 layer hetero-interface using SE and KPFM studies

NASA Astrophysics Data System (ADS)

Sharma, Intu; Mehta, B. R.

2017-11-01

Integration of a layered two-dimensional (2D) material with a non-2D material provides a platform where one can modulate and achieve the properties desired for various next-generation electronic and opto-electronic applications. Here, we investigated ZnTe nanoparticles/MoS2 hetero-interfaces with the thickness of the MoS2 varying from few to multilayer. High-resolution transmission electron microscopy was used to observe the crystalline behaviour of the ZnTe nanoparticles, while the number of MoS2 layers was investigated using Raman measurements. Spectroscopic ellipsometry (SE) analysis based on the five-layer fitting model was used to analyse the optical behaviour of the heterojunction, where the excitonic features corresponding to the MoS2 layers and absorption features due to the ZnTe nanoparticles are observed. From the Kelvin probe force microscopy (KPFM) measurements, the surface potential (SP) of the ZnTe nanoparticles/MoS2 is found to be different in comparison with the SP of the ZnTe nanoparticles and MoS2, which is indicative of the charge transfer at the ZnTe nanoparticles/MoS2 hetero-interface. Various parameters obtained using SE and KPFM measurements were used to propose energy band alignments at the ZnTe nanoparticles/MoS2 hetero-interface. In addition, an interface photovoltage of 193 mV was obtained by carrying out KPFM measurements under illuminating condition.

Thermoelectric properties and thermal stability of layered chalcogenides, TlScQ2, Q = Se, Te.

PubMed

Aswathy, Vijayakumar Sajitha; Sankar, Cheriyedath Raj; Varma, Manoj Raama; Assoud, Abdeljalil; Bieringer, Mario; Kleinke, Holger

2017-12-12

A few thallium based layered chalcogenides of α-NaFeO 2 structure-type are known for their excellent thermoelectric properties and interesting topological insulator nature. TlScQ 2 belongs to this structural category. In the present work, we have studied the electronic structure, electrical and thermal transport properties and thermal stability of the title compounds within the temperature range 2-600 K. Density functional theory (DFT) predicts a metallic nature for TlScTe 2 and a semiconducting nature for TlScSe 2 . DFT calculations also show significant lowering of energies of frontier bands upon inclusion of spin-orbit coupling contribution in the calculation. The electronic structure also shows the simultaneous occurrence of holes and electron pockets for the telluride. Experiments reveal that the telluride shows a semi-metallic behaviour whereas the selenide is a semiconductor. The thermoelectric properties for both the materials were also investigated. Both these materials possess very low thermal conductivity which is an attractive feature for thermoelectrics. However, they lack thermal stability and decompose upon warming above room temperature, as evidenced from high temperature powder X-ray diffraction and thermal analysis.

Phototropic growth control of nanoscale pattern formation in photoelectrodeposited Se-Te films.

PubMed

Sadtler, Bryce; Burgos, Stanley P; Batara, Nicolas A; Beardslee, Joseph A; Atwater, Harry A; Lewis, Nathan S

2013-12-03

Photoresponsive materials that adapt their morphologies, growth directions, and growth rates dynamically in response to the local incident electromagnetic field would provide a remarkable route to the synthesis of complex 3D mesostructures via feedback between illumination and the structure that develops under optical excitation. We report the spontaneous development of ordered, nanoscale lamellar patterns in electrodeposited selenium-tellurium (Se-Te) alloy films grown under noncoherent, uniform illumination on unpatterned substrates in an isotropic electrolyte solution. These inorganic nanostructures exhibited phototropic growth in which lamellar stripes grew toward the incident light source, adopted an orientation parallel to the light polarization direction with a period controlled by the illumination wavelength, and showed an increased growth rate with increasing light intensity. Furthermore, the patterns responded dynamically to changes during growth in the polarization, wavelength, and angle of the incident light, enabling the template-free and pattern-free synthesis, on a variety of substrates, of woodpile, spiral, branched, or zigzag structures, along with dynamically directed growth toward a noncoherent, uniform intensity light source. Full-wave electromagnetic simulations in combination with Monte Carlo growth simulations were used to model light-matter interactions in the Se-Te films and produced a model for the morphological evolution of the lamellar structures under phototropic growth conditions. The experiments and simulations are consistent with a phototropic growth mechanism in which the optical near-field intensity profile selects and reinforces the dominant morphological mode in the emergent nanoscale patterns.

Study of temperature dependent electrical properties of Se80-xTe20Bix (x = 0, 3, 6) glasses

NASA Astrophysics Data System (ADS)

Deepika, Singh, Hukum

2018-05-01

This paper reports the variation in electrical properties of Se80-xTe20Bix (x = 0, 3, 6) glasses studied at different temperatures. The amorphous samples were prepared using the melt quenching method and the electrical measurements were performed on Keithley Electrometer in the temperature ranging from 298-373 K. The I-V characteristics were noted at different temperatures and the data obtained was analysed to get dc electrical conductivity and activation energy of electrical conduction. Further, Mott's 3D VRH model has been applied to obtain density of states, hopping range and hopping energy at different temperatures. The obtained results show that dc electrical conductivity increases with increase in Bi composition in Se-Te system. These compositions also show close agreement to Mott's VRH model.

Study of optical nonlinearities in Se-Te-Bi thin films

NASA Astrophysics Data System (ADS)

Sharma, Ambika; Yadav, Preeti; Kumari, Anshu

2014-04-01

The present work reports the nonlinear refractive index of Se85-xTe15Bix thin films calculated by Ticha and Tichy relation. The nonlinear refractive index of Chalcogenide amorphous semiconductor is well correlated with the linear refractive index and WDD parameters which in turn depend on the density and molar volume of the system. The density of the system is calculated theoretical as well as experimentally by using Archimedes principle. The linear refractive index and WDD parameters are calculated using single transmission spectra in the spectral range of 400-1500 nm. It is observed that linear as well as nonlinear refractive index increases with Bi content. The results are analyzed on the basis of increasing polarizability due to larger radii of Bi.

Growth of Compound Semiconductors in a Low Gravity Environment: Microgravity Growth of PbSnTe

NASA Technical Reports Server (NTRS)

Fripp, Archibald L.; Debnam, William J.; Rosch, William R.; Baker, N. R.; Narayanan, R.

1999-01-01

The growth of the alloy compound semiconductor lead tin telluride (PbSnTe) was chosen for a microgravity flight experiment in the Advanced Automated Directional Solidification Furnace (AADSF), on the United States Microgravity Payload-3 (USMP-3) and on USMP-4 Space Shuttle flights in February, 1996, and November, 1997. The objective of these experiments was to determine the effect of the reduction in convection, during the growth process, brought about by the microgravity environment. The properties of devices made from PbSnTe are dependent on the ratio of the elemental components in the starting crystal. Compositional uniformity in the crystal is only obtained if there is no significant mixing in the liquid during growth. Lead tin telluride is an alloy of PbTe and SnTe. The technological importance of PbSnTe lies in its band gap versus composition diagram which has a zero energy crossing at approximately 40% SnTe. This facilitates the construction of long wavelength (>6 micron) infrared detectors and lasers. Observations and experimental methods of crystal growth of PbSnTe on both Space Shuttle Flights are presented.

Selective Se-for-S substitution in Cs-bearing uranyl compounds

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

Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru; Tyumentseva, Olga S.; Krivovichev, Sergey V.

Phase formation in the mixed sulfate-selenate aqueous system of uranyl nitrate and cesium nitrate has been investigated. Two types of crystalline compounds have been obtained and characterized using a number of experimental (single crystal XRD, FTIR, SEM) and theoretical (information-based complexity calculations, topological analysis) techniques. No miscibility gaps have been observed for Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se), which crystallizes in tetragonal system, P-42{sub 1}m, a =9.616(1)–9.856(2), c =8.105(1)–8.159(1) Å, V =749.6(2)–792.5(3) Å{sup 3}. Nine phases with variable amount of S and Se have been structurally characterized. The structures of the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}]more » (T= S, Se) compounds are based upon the [(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}]{sup 2-} layers of corner-sharing uranyl pentagonal bipyramids and TO{sub 4} tetrahedra. The layers contain two types of tetrahedral sites: T1 (3-connected, i.e. having three O atoms shared by adjacent uranyl polyhedra) and T2 (4-connected). The Se-for-S substitution in tetrahedral sites is highly selective with smaller S{sup 6+} cation showing a strong preference for the more tightly bonded T2 site. Crystallization in the pure Se system starts with the formation of Cs{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) crystals, its subsequent dissolution and formation of Cs{sub 2}[(UO{sub 2}){sub 2}(SeO{sub 4}){sub 3}]. The information-based structural complexity calculations for these two phases support the rule that more topologically complex structures form at the latest stages of crystallization. - Graphical abstract: Nine phases representing the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se) solid solution series with variable amount of S and Se have been prepared by isothermal evaporation from aqueous solutions and characterized using a number of experimental and theoretical techniques. No immiscibility is observed

The Influence of Sintering Temperature on the Microstructure and Thermoelectric Properties of n-Type Bi2Te3- x Se x Nanomaterials

NASA Astrophysics Data System (ADS)

Du, Y.; Cai, K. F.; Li, H.; An, B. J.

2011-05-01

Pure Bi2Te3 and Bi2Se3 nanopowders were hydrothermally synthesized, and n-type Bi2Te3- x Se x bulk samples were prepared by hot pressing a mixture of Bi2Te3 and Bi2Se3 nanopowders at 623 K, 648 K or 673 K and 80 MPa in vacuum. The phase composition of the powders and bulk samples were characterized by x-ray diffraction. The morphology of the powders was examined by transmission electron microscopy. The microstructure and composition of the bulk samples were characterized by field-emission scanning electron microscopy and energy-dispersive x-ray spectroscopy, respectively. The density of the samples increased with sintering temperature. The samples were somewhat oxidized, and the amount of oxide (Bi2TeO5) present increased with sintering temperature. The samples consisted of sheet-like grains with a thickness less than 100 nm. Seebeck coefficient, electrical conductivity, and thermal conductivity of the samples were measured from room temperature up to 573 K. Throughout the temperature range investigated, the sample sintered at 623 K had a higher power factor than the samples sintered at 648 K or 673 K.

AC conductivity and Dielectric Study of Chalcogenide Glasses of Se-Te-Ge System

NASA Astrophysics Data System (ADS)

Salman, Fathy

2004-01-01

The ac conductivity and dielectric properties of glassy system SexTe79 - xGe21, with x = 11, 14, 17 at.%, has been studied at temperatures 300 to 450 K and over a wide range of frequencies (50 Hz to 500 kHz). Experimental results indicate that the ac conductivity and the dielectric constants depend on temperature, frequency and Se content. The conductivity as a function of frequency exhibited two components: dc conductivity s dc, and ac conductivity s ac, where s ac ˜ w s. The mechanism of ac conductivity can be reasonably interpreted in terms of the correlated barrier hopping model (CBH). The activation energies are estimated and discussed. The dependence of ac conductivity and dielectric constants on the Se content x can be interpreted as the effect of Se fraction on the positional disorder. The impedance plot at each temperature appeared as a semicircle passes through the origin. Each semicircle is represented by an equivalent circuit of parallel resistance Rb and capacitance Cb.

Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe, and FeTe

NASA Astrophysics Data System (ADS)

Nakamura, Kazuma; Miyake, Takashi; Arita, Ryotaro; Imada, Masatoshi

2010-03-01

We present effective low-energy models for LaFePO and LaFeAsO (1111 family), BaFe2As2 (122), LiFeAs (111), and FeSe and FeTe (11) [1], based on ab initio downfolding scheme, a constrained random-phase-approximation method combined with maximally localized Wannier functions. Comparison among the effective models, derived for 5 Fe-3d bands, provides a basis for interpreting physics/chemistry; material dependences of electron correlations, a multiband character entangled by the 3d orbitals, and the geometrical frustration depending on hybridizations between iron and pnictogen/chalcogen orbitals. We found that LaFePO in the 1111 family resides in the weak correlation regime, while LaFeAsO and 111/122 compounds are the intermediate region and FeSe and FeTe in the 11 family are located in the strong correlation regime. A principal parameter relevant to the physics is clarified to be the pnictogen/chalcogen height from the iron layer. Implications in low-energy properties including magnetism and superconductivity are discussed. [1] T. Miyake, K. Nakamura, R. Arita, and M. Imada, arXiv:0911.3705.

Two-dimensional wide-band-gap nitride semiconductors: Single-layer 1 T -X N2 (X =S ,Se , and Te )

NASA Astrophysics Data System (ADS)

Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

2016-11-01

Recently, the two-dimensional (2D) semiconductors arsenene and antimonene, with band gaps larger than 2.0 eV, have attracted tremendous interest, especially for potential applications in optoelectronic devices with a photoresponse in the blue and UV range. Motivated by this exciting discovery, types of highly stable wide-band-gap 2D nitride semiconductors were theoretically designed. We propose single-layer 1 T -X N2 (X =S , Se, and Te) via first-principles simulations. We compute 1 T -X N2 (X =S , Se, and Te) with indirect band gaps of 2.825, 2.351, and 2.336 eV, respectively. By applying biaxial strain, they are able to induce the transition from a wide-band-gap semiconductor to a metal, and the range of absorption spectra of 1 T -X N2 (X =S , Se, and Te) obviously extend from the ultraviolet region to the blue-purple light region. With an underlying graphene, we find that 1 T -X N2 can completely shield the light absorption of graphene in the range of 1-1.6 eV. Our research paves the way for optoelectronic devices working under blue or UV light, and mechanical sensors based on these 2D crystals.

Electrodeposition of Ni on Bi2Te3 and Interfacial Reaction Between Sn and Ni-Coated Bi2Te3

NASA Astrophysics Data System (ADS)

Tseng, Yu-Chen; Lee, Hsuan; Hau, Nga Yu; Feng, Shien-Ping; Chen, Chih-Ming

2018-01-01

Bismuth-telluride (Bi2Te3)-based compounds are common thermoelectric materials used for low-temperature applications, and nickel (Ni) is usually deposited on the Bi2Te3 substrates as a diffusion barrier. Deposition of Ni on the p-type (Sb-doped) and n-type (Se-doped) Bi2Te3 substrates using electroplating and interfacial reactions between Sn and Ni-coated Bi2Te3 substrates are investigated. Electrodeposition of Ni on different Bi2Te3 substrates is characterized based on cyclic voltammetry and Tafel measurements. Microstructural characterizations of the Ni deposition and the Sn/Ni/Bi2Te3 interfacial reactions are performed using scanning electron microscopy. A faster growth rate is observed for the Ni deposition on the n-type Bi2Te3 substrate which is attributed to a lower activation energy of reduction due to a higher density of free electrons in the n-type Bi2Te3 material. The common Ni3Sn4 phase is formed at the Sn/Ni interfaces on both the p-type and n-type Bi2Te3 substrates, while the NiTe phase is formed at a faster rate at the interface between Ni and n-type Bi2Te3 substrates.

Dynamic diffraction effects and coherent breathing oscillations in ultrafast electron diffraction in layered 1T-TaSeTe

PubMed Central

Wei, Linlin; Sun, Shuaishuai; Guo, Cong; Li, Zhongwen; Sun, Kai; Liu, Yu; Lu, Wenjian; Sun, Yuping; Tian, Huanfang; Yang, Huaixin; Li, Jianqi

2017-01-01

Anisotropic lattice movements due to the difference between intralayer and interlayer bonding are observed in the layered transition-metal dichalcogenide 1T-TaSeTe following femtosecond laser pulse excitation. Our ultrafast electron diffraction investigations using 4D-transmission electron microscopy (4D-TEM) clearly reveal that the intensity of Bragg reflection spots often changes remarkably due to the dynamic diffraction effects and anisotropic lattice movement. Importantly, the temporal diffracted intensity from a specific crystallographic plane depends on the deviation parameter s, which is commonly used in the theoretical study of diffraction intensity. Herein, we report on lattice thermalization and structural oscillations in layered 1T-TaSeTe, analyzed by dynamic diffraction theory. Ultrafast alterations of satellite spots arising from the charge density wave in the present system are also briefly discussed. PMID:28470025

Elastic, vibration and thermodynamic properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) chalcopyrite compounds via first principles

NASA Astrophysics Data System (ADS)

Zhong, Yuhan; Wang, Peida; Mei, Huayue; Jia, Zhenyuan; Cheng, Nanpu

2018-06-01

CuInTe2 chalcopyrite compound is widely used in the fields of optoelectronics and pyroelectricity, and doping atoms can further improve the physical properties of the CuInTe2 compound. For all we know, this is the first time that the elastic behaviors and lattice dynamical properties of Ag-doped CuInTe2 compounds with the tetragonal system are determined theoretically. The elastic, lattice dynamical and thermal properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) compounds have been investigated by using density functional theory. The obtained elastic constants of Cu1‑x Ag x InTe2 compounds indicate that these compounds are mechanically stable and elastic anisotropic. The anisotropy of the {001} plane is more obvious than those of the {100} and {010} planes. Additionally, with increasing Ag doping concentrations, the bulk and shear moduli of Cu1‑x Ag x InTe2 compounds decrease and their toughness improves. The phonon spectra and density of states reveal that Cu (or Ag) atoms in Cu1‑x Ag x InTe2 compounds form chemical bonds with Te atoms, and Cu-Te bonds are gradually replaced by Ag-Te bonds with increasing Ag doping concentration. Vibration modes of Cu1‑x Ag x InTe2 compounds at the {{Γ }} point in the Brillouin zone show that each Cu1‑x Ag x InTe2 (x = 0 and 1) crystal includes five irreducible representations (A1, A2, B1, B2 and E). As for Cu1‑x Ag x InTe2 (x = 0.25, 0.5 and 0.75) compounds, each crystal has three irreducible representations (A, B and E). The atomic displacements of several typical phonon modes in CuInTe2 crystals have been analyzed to deepen the understanding of lattice vibrations in Cu1‑x AgxInTe2 compounds. With increasing Ag doping concentration, the Debye temperatures of Cu1‑x Ag x InTe2 compounds decrease, while their heat capacities increase.

Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

PubMed

Sun, Bao-Zhen; Ma, Zuju; He, Chao; Wu, Kechen

2015-11-28

Thermoelectrics interconvert heat to electricity and are of great interest in waste heat recovery, solid-state cooling and so on. Here we assessed the potential of SnS2 and SnSe2 as thermoelectric materials at the temperature gradient from 300 to 800 K. Reflecting the crystal structure, the transport coefficients are highly anisotropic between a and c directions, in particular for the electrical conductivity. The preferred direction for both materials is the a direction in TE application. Most strikingly, when 800 K is reached, SnS2 can show a peak power factor (PF) of 15.50 μW cm(-1) K(-2) along the a direction, while a relatively low value (11.72 μW cm(-1) K(-2)) is obtained in the same direction of SnSe2. These values are comparable to those observed in thermoelectrics such as SnSe and SnS. At 300 K, the minimum lattice thermal conductivity (κmin) along the a direction is estimated to be about 0.67 and 0.55 W m(-1) K(-1) for SnS2 and SnSe2, respectively, even lower than the measured lattice thermal conductivity of Bi2Te3 (1.28 W m(-1) K(-1) at 300 K). The reasonable PF and κmin suggest that both SnS2 and SnSe2 are potential thermoelectric materials. Indeed, the estimated peak ZT can approach 0.88 for SnSe2 and a higher value of 0.96 for SnS2 along the a direction at a carrier concentration of 1.94 × 10(19) (SnSe2) vs. 2.87 × 10(19) cm(-3) (SnS2). The best ZT values in SnX2 (X = S, Se) are comparable to that in Bi2Te3 (0.8), a typical thermoelectric material. We hope that this theoretical investigation will provide useful information for further experimental and theoretical studies on optimizing the thermoelectric properties of SnX2 materials.

High field conduction in Pb doped amorphous Se-Te system

NASA Astrophysics Data System (ADS)

Anjali, Patial, Balbir Singh; Thakur, Nagesh

2018-05-01

In the present study, DC conductivity measurements of as-Se80-xTe20Pbx (x = 0, 1 and 2) glassy alloys are made in the temperature range 298-318 K and in the voltage range 0-180 V. Current-voltage (I-V) characteristics point toward ohmic behavior at low electric field and non-ohmic is observed at high electric field. The variation of ln(I/V) against V are nearly found straight curves but slope of these curves does not decrease linearly with temperature indicates that the space charge limited conduction (SCLC) is absent. Instead the linear relation between ln(I) and V1/2 confirms that the conduction is either Poole-Frenkel type or Schottky emission. A detailed analysis shows that the dominant mechanism is Poole-Frenkel type conduction.

Large magnetoresistance and Fermi surface study of Sb2Se2Te single crystal

NASA Astrophysics Data System (ADS)

Shrestha, K.; Marinova, V.; Graf, D.; Lorenz, B.; Chu, C. W.

2017-09-01

We have studied the magnetotransport properties of a Sb2Se2Te single crystal. Magnetoresistance (MR) is maximum when the magnetic field is perpendicular to the sample surface and reaches a value of 1100% at B = 31 T with no sign of saturation. MR shows Shubnikov de Haas (SdH) oscillations above B = 15 T. The frequency spectrum of SdH oscillations consists of three distinct peaks at α = 32 T, β = 80 T, and γ = 117 T indicating the presence of three Fermi surface pockets. Among these frequencies, β is the prominent peak in the frequency spectrum of SdH oscillations measured at different tilt angles of the sample with respect to the magnetic field. From the angle dependence β and Berry phase calculations, we have confirmed the trivial topology of the β-pocket. The cyclotron masses of charge carriers, obtained by using the Lifshitz-Kosevich formula, are found to be mβ*=0.16mo and m γ*=0.63 mo for the β and γ bands, respectively. The Large MR of Sb2Se2Te is suitable for utilization in electronic instruments such as computer hard discs, high field magnetic sensors, and memory devices.

Low-Temperature Synthesis of New Ternary Chalcogenide Compounds of Copper, Gold, and Mercury Using Alkali Metal Polychalcogenide Fluxes

NASA Astrophysics Data System (ADS)

Park, Younbong

In last two decades great efforts have been exerted to find new materials with interesting optical, electrical, and catalytic properties. Metal chalcogenides have been studied extensively because of their interesting physical properties and rich structural chemistry, among the potential materials. Prior to this work, most known metal chalcogenides had been synthesized at high temperature (T > 500^circC). Intermediate temperature synthesis in solid state chemistry was seldom pursued because of the extremely slow diffusion rates between reactants. This intermediate temperature regime could be a new synthesis condition if one looks for new materials with unusual structural features and properties. Metastable or kinetically stable compounds can be stabilized in this intermediate temperature regime, in contrast to the thermodynamically stable high temperature compounds. Molten salts, especially alkali metal polychalcogenide fluxes, can provide a route for exploring new chalcogenide materials at intermediate temperatures. These fluxes are very reactive and melt as low as 145^circC (mp of K_2S_4). Using these fluxes as reaction media, we have encountered many novel chalcogenide compounds with unusual structures and interesting electrical properties (semiconductors to metallic conductors). Low-dimensional polychalcogenide compounds of alpha-ACuQ_4 (A = K, Cs; Q = S, Se), beta -KCuS_4, KAuQ_5 (Q = S, Se), K_3AuSe_ {13}, Na_3AuSe _8, and CsAuSe_3 exhibit the beautiful structural diversity and bonding flexibility of the polychalcogenide ligands. In addition, many novel chalcogenide compounds of Cu, Hg, and Au with low-dimensional structures. The preparation of novel mixed -valence Cu compounds, K_2Cu _5Te_5, Cs _3Cu_8Te_ {10}, Na_3Cu _4Se_4, K _3Cu_8S_4 Te_2, and KCu_4 S_2Te, which show interesting metallic properties, especially underscores the enormous potential of the molten salt method for the synthesis of new chalcogenide materials with interesting physical properties

Calorimetric study of tellurium rich Se-Te-Sn glasses

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

Heera, Pawan, E-mail: pawanheera@yahoo.com; Govt. College Amb, Himachal Pradesh 177203; Kumar, Anup

2016-05-23

We report the calorimetric study of amorphous Se{sub 30}Te{sub 70-x} Sn{sub x} alloys for x= 0, 1.5, 2.5, 4.5 in terms of kinetic parameters. The DSC curves recorded at four different heating rates are analyzed to determine the transition temperatures, activation energy, thermal stability, glass forming ability. The crystallization process has been investigated using Kissinger, Matusita, Augis and Bennett, and Gao and Wang models. Various kinetic parameters have been calculated for a better understanding of the growth mechanism. The glass transition temperatures T{sub g}, onset crystallization T{sub c}, peak crystallization T{sub p}, and melting temperature T{sub m} are found tomore » increase with the increase in Sn content. The system under investigation is found to be thermally stable for at lower at% of Sn. The values of parameters H{sub R}, H{sub w}, and S indicate that Glass forming ability (GFA) decays with an increase in Sn content.« less

Thermodynamic properties of PbTe, PbSe, and PbS: a first-principles study

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

Zhang, Yi; Ke, Xuezhi; Chen, Changfeng

2009-01-01

The recent discovery of novel lead chalcogenide-based thermoelectric materials has attracted great interest. These materials exhibit low thermal conductivity which is closely related to their lattice dynamics and thermodynamic properties. In this paper, we report a systematic study of electronic structures and lattice dynamics of the lead chalcogenides PbX (X=Te, Se, S) using first-principles density functional theory calculations and a direct force-constant method. We calculate the struc- tural parameters, elastic moduli, electronic band structures, dielectric constants, and Born effective charges. Moreover, we determine phonon dispersions, phonon density of states, and phonon softening modes in these materials. Based on the resultsmore » of these calculations, we further employ quasihar- monic approximation to calculate the heat capacity, internal energy, and vibrational entropy. The obtained results are in good agreement with experimental data. Lattice thermal conductivities are evaluated in terms of the Gruneisen parameters. The mode Gruneisen parameters are calculated to explain the anharmonicity in these materials. The effect of the spin-orbit interaction is found to be negligible in determining the thermodynamic properties of PbTe, PbSe, and PbS.« less

Surface phonons in the topological insulators Bi2Se3 and Bi2Te3

NASA Astrophysics Data System (ADS)

Boulares, Ibrahim; Shi, Guangsha; Kioupakis, Emmanouil; Lošťák, Petr; Uher, Ctirad; Merlin, Roberto

2018-03-01

Raman scattering [K. M. F. Shahil et al., Appl. Phys. Lett. 96, 153103 (2010), V. Gnezdilov et al., Phys. Rev. B 84, 195118 (2011) and H. -H. Kung et al., Phys. Rev. B 95, 245406 (2017)], inelastic helium scattering [X. Zhu et al., Phys. Rev. Lett. 107, 186102 (2011)] and photoemission experiments [J. A. Sobota et al., Phys. Rev. Lett. 113, 157401 (2014)] on the topological insulators Bi2Se3 and Bi2Te3 show features in the range ∼ 50-160 cm-1, which have been assigned alternatively to Raman-forbidden, bulk infrared modes arising from symmetry breaking at the surface or to surface phonons, which couple to the topologically protected electronic states. Here, we present temperature- and wavelength- dependent Raman studies showing additional modes we ascribe to surface phonons in both Bi2Se3 and Bi2Te3. Our assignment is supported by density functional theory calculations revealing surface phonons at frequencies close to those of the extra peaks in the Raman data. The theoretical results also indicate that these modes are not a consequence of spin-orbit coupling and, thus, that their occurrence is unrelated to the topological properties of these materials.

Physical reasons of emission transformation in infrared CdSeTe/ZnS quantum dots at bioconjugation

NASA Astrophysics Data System (ADS)

Torchynska, T. V.

2015-04-01

The core/shell CdSeTe/ZnS quantum dots (QDs) with emission at 780-800 nm (1.55-1.60 eV) have been studied by means of photoluminescence (PL) and Raman scattering methods in the nonconjugated state and after conjugation to different antibodies (Ab): (i) mouse monoclonal [8C9] human papilloma virus Ab, anti-HPV 16-E7 Ab, (ii) mouse monoclonal [C1P5] human papilloma virus HPV16 E6+HPV18 E6 Ab, and (iii) pseudo rabies virus (PRV) Ab. The transformations of PL and Raman scattering spectra of QDs, stimulated by conjugated antibodies, have been revealed and discussed. The energy band diagram of core/shell CdSeTe/ZnS QDs has been designed that helps to analyze the PL spectra and their transformations at the bioconjugation. It is shown that the core in CdSeTe/ZnS QDs is complex and including the type II quantum well. The last fact permits to explain the nature of infrared (IR) optical transitions (1.55-1.60 eV) and the high energy PL band (1.88-1.94 eV) in the nonconjugated and bioconjugated QDs. A set of physical reasons has been analyzed with the aim to explain the transformation of PL spectra in bioconjugated QDs. Finally it is shown that two factors are responsible for the PL spectrum transformation at bioconjugation to charged antibodies: (i) the change of energy band profile in QDs and (ii) the shift of QD energy levels in the strong quantum confinement case. The effect of PL spectrum transformation is useful for the study of QD bioconjugation to specific antibodies and can be a powerful technique for early medical diagnostics.

Tunable multifunctional topological insulators in ternary Heusler and related compounds

NASA Astrophysics Data System (ADS)

Felser, Claudia

2011-03-01

Recently the quantum spin Hall effect was theoretically predicted and experimentally realized in quantum wells based on the binary semiconductor HgTe. The quantum spin Hall state and topological insulators are new states of quantum matter interesting for both fundamental condensed-matter physics and material science. Many Heusler compounds with C1b structure are ternary semiconductors that are structurally and electronically related to the binary semiconductors. The diversity of Heusler materials opens wide possibilities for tuning the bandgap and setting the desired band inversion by choosing compounds with appropriate hybridization strength (by the lattice parameter) and magnitude of spin--orbit coupling (by the atomic charge). Based on first-principle calculations we demonstrate that around 50 Heusler compounds show band inversion similar to that of HgTe. The topological state in these zero-gap semiconductors can be created by applying strain or by designing an appropriate quantumwell structure, similar to the case of HgTe. Many of these ternary zero-gap semiconductors (LnAuPb, LnPdBi, LnPtSb and LnPtBi) contain the rare-earth element Ln, which can realize additional properties ranging from superconductivity (for example LaPtBi) to magnetism (for example GdPtBi) and heavy fermion behaviour (for example YbPtBi). These properties can open new research directions in realizing the quantized anomalous Hall effect and topological superconductors. Heusler compounds are similar to a stuffed diamond, correspondingly, it should be possible to find the ``high Z'' equivalent of graphene in a graphite-like structure with 18 valence electrons and with inverted bands. Indeed the ternary compounds, such as LiAuSe and KHgSb with a honeycomb structure of their Au-Se and Hg-Sb layers feature band inversion very similar to HgTe which is a strong precondition for existence of the topological surface states. These materials have a gap at the Fermi energy and are therefore candidates

Thallous chalcogenide (Tl 6I 4Se) for radiation detection at X-ray and γ-ray energies

NASA Astrophysics Data System (ADS)

Liu, Zhifu; Peters, John A.; Wessels, Bruce W.; Johnsen, Simon; Kanatzidis, Mercouri G.

2011-12-01

The optical and charge transport properties of the thallous chalcogenide compound Tl6I4Se were characterized. The semiconductor crystals are grown by the modified Bridgman method. We have measured the refractive index, and absorption coefficient of the compound ranging from 300 to 1500 nm by analysis of the UV-vis-near IR transmission and reflection spectra. The band gap is 1.8 eV. For the evaluation of detector performance, the mobility-lifetime products for both the electron and hole carriers were measured. Tl6I4Se has mobility-lifetime products of 7.1×10-3 and 5.9×10-4 cm2/V for electron and hole carriers, respectively, which are comparable to those of Cd0.9Zn0.1Te. The γ-ray spectrum for a Tl6I4Se detector was measured. Its response to the 122 keV of 57Co source is comparable to that of Cd0.9Zn0.1Te.

Ab initio calculations of the structural, electronic, thermodynamic and thermal properties of BaSe1-x Te x alloys

NASA Astrophysics Data System (ADS)

Drablia, S.; Boukhris, N.; Boulechfar, R.; Meradji, H.; Ghemid, S.; Ahmed, R.; Omran, S. Bin; El Haj Hassan, F.; Khenata, R.

2017-10-01

The alkaline earth metal chalcogenides are being intensively investigated because of their advanced technological applications, for example in photoluminescent devices. In this study, the structural, electronic, thermodynamic and thermal properties of the BaSe1-x Te x alloys at alloying composition x = 0, 0.25, 0.50, 0.75 and 1 are investigated. The full potential linearized augmented plane wave plus local orbital method designed within the density functional theory was used to perform the total energy calculations. In this research work the effect of the composition on the results of the parameters and bulk modulus as well as on the band gap energy is analyzed. From our results, we found a deviation of the obtained results for the lattice constants from Vegard’s law as well as a deviation of the value of the bulk modulus from the linear concentration dependence. We also carried out a microscopic analysis of the origin of the band gap energy bowing parameter. Furthermore, the thermodynamic stability of the considered alloys was explored through the measurement of the miscibility critical temperature. The quasi-harmonic Debye model, as implemented in the Gibbs code, was used to predict the thermal properties of the BaSe1-x Te x alloys, and these investigations comprise our first theoretical predictions concerning the BaSe1-x Te x alloys.

Experimental study of THz electro-optical sampling crystals ZnSe, ZnTe and GaP

NASA Astrophysics Data System (ADS)

Zhukova, M.; Makarov, E.; Putilin, S.; Tsypkin, A.; Chegnov, V.; Chegnova, O.; Bespalov, V.

2017-11-01

The application of optoelectronic techniques to the generation and detection of THz radiation is now well established. Wide gap semiconductor crystals of groups II-VI, III-V and III-VI are abundantly used. However, some limitations are occurred while using powerful laser systems. In this paper we introduce experimental results of two-photon absorption (2PA) in ZnSe, ZnTe and GaP studied with femtosecond pump-probe supercontinuum spectroscopy. Using of supercontinuum helps us to measure 2PA absorption dynamics and nonlinear index of refraction in wide frequency ranges. Besides influence of Fe concentration in ZnSe:Fe crystals on transmitted THz radiation is described.

Effect of the external electric field on the kinetics of recombination of photoexcited carriers in a ZnSe/BeTe type II heterostructure

NASA Astrophysics Data System (ADS)

Filatov, E. V.; Maksimov, A. A.; Tartakovskii, I. I.; Yakovlev, D. R.; Waag, A.

2011-12-01

The kinetics of the radiative recombination of photoexcited electrons and holes for a spatially direct transition in a ZnSe/BeTe type II heterostructure in an external electric field has been analyzed. A strong decrease (more than two orders of magnitude) in the photoluminescence intensity, as well as a decrease in the duration of the relaxation of the direct transition, is observed when the electric field is applied. The energy levels and wavefunctions of electrons and holes in the ZnSe/BeTe heterostructure subjected to the electric field have been numerically calculated. It has been shown that the observed decrease in the photoluminescence intensity and duration of the relaxation of the direct transition is due to both an increase in the radiative recombination time and an increase in the rate of escape of photoexcited holes from the above-barrier level in the ZnSe layer to the BeTe layer.

Effect of the external electric field on the kinetics of recombination of photoexcited carriers in a ZnSe/BeTe type II heterostructure

NASA Astrophysics Data System (ADS)

Filatov, E. V.; Maksimov, A. A.; Tartakovskii, I. I.; Yakovlev, D. R.; Waag, A.

2012-02-01

The kinetics of the radiative recombination of photoexcited electrons and holes for a spatially direct transition in a ZnSe/BeTe type II heterostructure in an external electric field has been analyzed. A strong decrease (more than two orders of magnitude) in the photoluminescence intensity, as well as a decrease in the duration of the relaxation of the direct transition, is observed when the electric field is applied. The energy levels and wavefunctions of electrons and holes in the ZnSe/BeTe heterostructure subjected to the electric field have been numerically calculated. It has been shown that the observed decrease in the photoluminescence intensity and duration of the relaxation of the direct transition is due to both an increase in the radiative recombination time and an increase in the rate of escape of photoexcited holes from the above-barrier level in the ZnSe layer to the BeTe layer.

The new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} and the role of dimensionality in the Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} series

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

Trump, Benjamin A., E-mail: btrump1@jhu.edu; Department of Physics and Astronomy, Institute for Quantum Matter, Johns Hopkins University, Baltimore, MD 21218; Livi, Kenneth J.T.

The synthesis and physical properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} are reported. Transmission electron microscopy and powder X-ray diffraction show that the structure consists of alternating rock-salt type BiSe layers and hexagonal (TiSe{sub 2}){sub 2} double layers. Resistivity, specific heat, and magnetization measurements show that it has metallic and diamagnetic behaviors. These results are interpreted and discussed in the context of the transition between single-layer (BiSe){sub 1.13}(TiSe{sub 2}), which shows no charge density wave, and infinite-layered (bulk) 1T-TiSe{sub 2}, which undergoes a charge density wave transition at T=202 K. Intercalation with copper, Cu{sub x}(BiSe){sub 1.15}(TiSe{sub 2}){submore » 2}, (0≤x≤0.10) is also reported, but unlike Cu{sub x}TiSe{sub 2}, no superconductivity is observed down to T=0.05 K. Thus, the series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub n} provides an effective approach to elucidate the impact of dimensionality on charge density wave formation and superconductivity. - Graphical abstract: The newly discovered misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2} shown in the series (BiSe){sub 1+δ}(TiSe{sub 2}){sub n}. Display Omitted - Highlights: • Reports the structure and properties of the new misfit compound (BiSe){sub 1.15}(TiSe{sub 2}){sub 2}. • The structure consists of a rock salt type BiSe layer and a double (TiSe{sub 2}){sub 2} layer. • The n=1, 2 misfits (BiSe){sub 1+δ}(TiSe{sub 2}){sub n} are found not to exhibit CDW transitions. • Evidence is presented that there is likely a low-lying CDW excited state. • The series Cu{sub x}(BiSe){sub 1+δ}(TiSe{sub 2}){sub 2} does not superconduct, unlike Cu{sub x}TiSe{sub 2}.« less

Electrochemiluminescence energy transfer-promoted ultrasensitive immunoassay using near-infrared-emitting CdSeTe/CdS/ZnS quantum dots and gold nanorods

PubMed Central

Li, Lingling; Chen, Ying; Lu, Qian; Ji, Jing; Shen, Yuanyuan; Xu, Mi; Fei, Rong; Yang, Guohai; Zhang, Kui; Zhang, Jian-Rong; Zhu, Jun-Jie

2013-01-01

The marriage of energy transfer with electrochemiluminescence has produced a new technology named electrochemiluminescence energy transfer (ECL-ET), which can realize effective and sensitive detection of biomolecules. To obtain optimal ECL-ET efficiency, perfect energy overlapped donor/acceptor pair is of great importance. Herein, we present a sensitive ECL-ET based immunosensor for the detection of tumor markers, using energy tunable CdSeTe/CdS/ZnS double shell quantum dots (QDs) and gold nanorods (GNRs) as the donor and acceptor, respectively. Firstly a facile microwave-assisted strategy for the synthesis of green- to near-infrared-emitting CdSeTe/CdS/ZnS QDs with time- and component-tunable photoluminescence was proposed. And, on the basis of the adjustable optical properties of both CdSeTe/CdS/ZnS QDs and GNRs, excellent overlap between donor emission and acceptor absorption can be obtained to ensure effective ECL-ET quenching, thus improving the sensing sensitivity. This method represents a novel approach for versatile detection of biomolecules at low concentrations. PMID:23524874

Magnetic ground state of the layered honeycomb compound Na2Co2TeO6

NASA Astrophysics Data System (ADS)

Bera, A. K.; Yusuf, S. M.

2018-04-01

The magnetic correlations in the 2D layered honeycomb compound Na2Co2TeO6 has been investigated. The temperature dependent susceptibility curve reveals a transition to the magnetically ordered state at TN ˜ 25 K. The temperature dependent neutron diffraction study confirms an antiferromagnetic ordering below TN. The magnetic ground state is determined to be a zigzag antiferromagnet that appears due to competing exchange interactions beyond nearest neighbors. The moments align along the crystallographic b axis with reduced ordered magnetic moment values of 2.72(2) μB/Co2+ and 2.52(3) μB/Co2+ for two Co sites, respectively. In comparison to the theoretical phase diagram the determined zigzag antiferromagnetic ground state suggests that the compound Na2Co2TeO6 is situated in the proximity to the quantum spin liquid state in the phase diagram.

Partial Pressures of Te2 and Thermodynamic Properties of Ga-Te System

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

2001-01-01

The partial pressures of Te2 in equilibrium with Ga(1-x)Te(x) samples were measured by optical absorption technique from 450 to 1100 C for compositions, x, between 0.333 and 0.612. To establish the relationship between the partial pressure of Te, and the measured optical absorbance, the calibration runs of a pure Te sample were also conducted to determine the Beer's Law constants. The partial pressures of Te2 in equilibrium with the GaTe(s) and Ga2Te3(s)compounds, or the so-called three-phase curves, were established. These partial pressure data imply the existence of the Ga3Te4(s) compound. From the partial pressures of Te2 over the Ga-Te melts, partial molar enthalpy and entropy of mixing for Te were derived and they agree reasonable well with the published data. The activities of Te in the Ga-Te melts were also derived from the measured partial pressures of Te2. These data agree well with most of the previous results. The possible reason for the high activity of Te measured for x less than 0.60 is discussed.

Quench hardening of Sb0.2 Bi1.8Te3, Bi2Te2.8Se0.2 and Sn0.2 Bi1.8Te3 single crystals

NASA Astrophysics Data System (ADS)

Soni, P. H.

2018-02-01

The V2-VI3 intermetallics are narrow band gap semiconductors and well known for their thermoelectric properties. They therefore offer a convenient route to tune band gap for manipulating thermoelectric parameters. The V group element Sb can be fruitfully used to substitute Bi in various proportions thus forming a psuedobinary solid solution. The electronic in general and the thermoelectric properties in particular of this psuedobinary have been amply reported. However there are no reports found on mechanical properties. I have used Sb0.2 Bi1.8Te3, Bi2Te2.8Se0.2 and Sn0.2 Bi1.8Te3single crystals grown using Bridgman technique for the quenching treatment followed by hardness testing. Vickers hardness tests were conducted on the cleavage planes of the crystals quenched from various high temperatures and the quench hardenening coefficient values have been determined. The hardness tests were carried out at various applied loads also to explore load dependence of the measured hardness. The results are reported in the paper.

Electronic structure and low temperature magnetoresistance of polycrystalline TlMQ2 (M = Sc, Bi, Q = Se, Te)

NASA Astrophysics Data System (ADS)

Aswathy, Vijayakumar Sajitha; Varma, Manoj Raama; Sankar, Cheriyedath Raj

2018-05-01

Thallium based ternary chalcogenide TlBiSe2 having α-NaFeO2 structure type is a candidate of 3D topological insulator family with very large positive linear magnetoresistance. Herein, we report the magnetoresistance studies along with the electronic structure of TlScQ2 (Q = Se, Te) system of the same structure type. Our calculations predict selenide to be a narrow indirect band-gap semiconductor whereas telluride is metallic with intriguing band dispersion characteristics. We observed huge positive MR for the polycrystalline TlBiSe2 and comparatively low MR for TlScQ2 which limits their chance to possess nontrivial surface states.

Li 2Se as a Neutron Scintillator

DOE PAGES

Du, Mao-Hua; Shi, Hongliang; Singh, David J.

2015-06-23

We show that Li 2Se:Te is a potential neutron scintillator material based on density functional calculations. Li 2Se exhibits a number of properties favorable for efficient neutron detection, such as a high Li concentration for neutron absorption, a small effective atomic mass and a low density for reduced sensitivity to background gamma rays, and a small band gap for a high light yield. Our calculations show that Te doping should lead to the formation of deep acceptor complex V Li-Te Se, which can facilitate efficient light emission, similar to the emission activation in Te doped ZnSe.

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.

Lattice dynamics of BaFe 2 X 3 ( X = S , Se ) compounds

DOE PAGES

Popović, Z. V.; Šćepanović, M.; Lazarević, N.; ...

2015-02-27

We present the Raman scattering spectra of the S=2 spin ladder compounds BaFe₂X₃ (X=S,Se) in a temperature range between 20 and 400 K. Although the crystal structures of these two compounds are both orthorhombic and very similar, they are not isostructural. The unit cell of BaFe₂S₃ (BaFe₂Se₃) is base-centered Cmcm (primitive Pnma), giving 18 (36) modes to be observed in the Raman scattering experiment. We have detected almost all Raman active modes, predicted by factor group analysis, which can be observed from the cleavage planes of these compounds. Assignment of the observed Raman modes of BaFe₂S(Se)₃ is supported by themore » lattice dynamics calculations. The antiferromagnetic long-range spin ordering in BaFe₂Se₃ below T N=255K leaves a fingerprint both in the A 1g and B 3g phonon mode linewidth and energy.« less

Deposition and properties of Fe(Se,Te) thin films on vicinal CaF2 substrates

NASA Astrophysics Data System (ADS)

Bryja, Hagen; Hühne, Ruben; Iida, Kazumasa; Molatta, Sebastian; Sala, Alberto; Putti, Marina; Schultz, Ludwig; Nielsch, Kornelius; Hänisch, Jens

2017-11-01

We report on the growth of epitaxial Fe1+δ Se0.5Te0.5 thin films on 0°, 5°, 10°, 15° and 20° vicinal cut CaF2 single crystals by pulsed laser deposition. In situ electron and ex situ x-ray diffraction studies reveal a tilted growth of the Fe1+δ Se0.5Te0.5 films, whereby under optimized deposition conditions the c-axis alignment coincides with the substrate [001] tilted axis up to a vicinal angle of 10°. Atomic force microscopy shows a flat island growth for all films. From resistivity measurements in longitudinal and transversal directions, the ab- and c-axis components of resistivity are derived and the mass anisotropy parameter is determined. Analysis of the critical current density indicates that no effective c-axis correlated defects are generated by vicinal growth, and pinning by normal point core defects dominates. However, for H∣∣ab the effective pinning centers change from surface defects to point core defects near the superconducting transition due to the vicinal cut. Furthermore, we show in angular-dependent critical current density data a shift of the ab-planes maxima position with the magnetic field strength.

Efforts to identify Te-rich nano-islands in ZnSe

NASA Astrophysics Data System (ADS)

Lau, June W.; Volkov, Vyacheslav V.; Zhu, Yimei; Kuskovsky, Igor L.; Neumark, Gertrude F.; Lin, W.; Maksimov, Oleg; Tamargo, Maria C.

2002-03-01

Much work has been done on the study of nano-island formation (“dopants”) in various systems by use of electron microscopy, often complemented by x-ray microanalysis [1]. This works well for systems involving one or more monolayers of dopants. Our system consists of Te and N dopants incorporated into ZnSe in sub-monolayer quantities [2]. This presents a challenge; our calculations show that this case is probably below the detection limit of x-ray microanalysis. Our samples do show strain contrasts but we were unable to obtain direct confirmation of nano-islands’ existence. As an alternative, dark field images from chemically sensitively reflections were used in volumetric defect density studies. The defect density in the doped samples was higher than that of the undoped samples. 1. Dorin C., U of Mich. Poster presentation at Fall MRS meeting 2001 2. Lin et al., Apple. Phys. Let., 76, 2205 (2000).

High-pressure NaCl-phase of tetrahedral compounds

NASA Astrophysics Data System (ADS)

Soma, T.; -Matsuo Kagaya, H.

1984-04-01

The phase transition of tetrahedral compounds such as GaP, InP, ZnS, ZnSe, ZnTe and CdTe under pressure is investigated from the electronic theory of solids by using our recently presented binding force, which includes mainly covalent interactions in the pseudopotential formalism and partially ionic interactions. The partially ionic forces give the important contributions to the high-pressure phase and stabilize the NaCl-type structure for the high-pressure phase of these compounds, although not reported for GaP experimentally. Then, the numerical results such as the transition pressure, the volume-discontinuity, the transition heat with respect to the pressure-induced phase transition from the zinc-blende-to the NaCl-type lattice are obtained theoretically.

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

Numerical study of the defect adamantine compound CuGaGeSe4

NASA Astrophysics Data System (ADS)

Shen, Kesheng; Zhang, Xianzhou; Lu, Hai; Jiao, Zhaoyong

2018-06-01

The electronic structure, elastic and optical properties of the defect adamantine compound CuGaGeSe4 in ? structure are systematically investigated using first-principles calculations. Through detailed calculation and comparison, we obtain three independent atomic arrangements and predict the most stable atomic arrangement according to the lattice constants and enthalpy formation energies. The elastic constants are calculated, which can be used to predict the axial thermal expansion coefficients accurately. The optical properties of compound CuGaGeSe4, including the dielectric function, refractive index and absorption spectrum, are depicted for a more intuitive understanding. Our calculated zero-frequency limits ɛ1(0) and n(0) are very close to the other theoretical values, which proves that our calculations are reliable.

Coexistent three-component and two-component Weyl phonons in TiS, ZrSe, and HfTe

NASA Astrophysics Data System (ADS)

Li, Jiangxu; Xie, Qing; Ullah, Sami; Li, Ronghan; Ma, Hui; Li, Dianzhong; Li, Yiyi; Chen, Xing-Qiu

2018-02-01

In analogy to various fermions of electrons in topological semimetals, topological mechanical states with two types of bosons, Dirac and Weyl bosons, were reported in some macroscopic systems of kHz frequency, and those with a type of doubly-Weyl phonons in atomic vibrational framework of THz frequency of solid crystals were recently predicted. Here, through first-principles calculations, we have reported that the phonon spectra of the WC-type TiS, ZrSe, and HfTe commonly host the unique triply degenerate nodal points (TDNPs) and single two-component Weyl points (WPs) in THz frequency. Quasiparticle excitations near TDNPs of phonons are three-component bosons, beyond the conventional and known classifications of Dirac, Weyl, and doubly-Weyl phonons. Moreover, we have found that both TiS and ZrSe have five pairs of type-I Weyl phonons and a pair of type-II Weyl phonons, whereas HfTe only has four pairs of type-I Weyl phonons. They carry nonzero topological charges. On the (10 1 ¯0 ) crystal surfaces, we observe topological protected surface arc states connecting two WPs with opposite charges, which host modes that propagate nearly in one direction on the surface.

Superconductivity in YTE2Ge2 compounds (TE = d-electron transition metal)

NASA Astrophysics Data System (ADS)

Chajewski, G.; Samsel-Czekała, M.; Hackemer, A.; Wiśniewski, P.; Pikul, A. P.; Kaczorowski, D.

2018-05-01

Polycrystalline samples of YTE2Ge2 with TE = Co, Ni, Ru, Rh, Pd and Pt were synthesized and characterized by means of X-ray powder diffraction and low-temperature electrical resistivity and specific heat measurements, supplemented by fully relativistic full-potential local-orbital band structure calculations. We confirm that most of the compounds studied crystallize in a body-centered tetragonal ThCr2S2 -type structure (space group I 4 / mmm) and have three-dimensional Fermi surfaces, while only one of them (YPt2Ge2) forms with a primitive tetragonal CaBe2Ge2 -type unit cell (space group P 4 / nmm) and possesses quasi-two-dimensional Fermi surface sheets with some nesting. Physical properties data show conventional superconductivity in the phases with TE = Co, Pd and Pt, i.e. independently of the structure type (and hence the dimensionality of the Fermi surface).

N-type Doped PbTe and PbSe Alloys for Thermoelectric Applications

NASA Technical Reports Server (NTRS)

Snyder, G. Jeffrey (Inventor); LaLonde, Aaron (Inventor); Pei, Yanzhong (Inventor); Wang, Heng (Inventor)

2014-01-01

The present invention demonstrates that weak scattering of carriers leads to a high mobility and therefore helps achieve low electric resistivity with high Seebeck coefficient for a thermoelectric material. The inventors demonstrate this effect by obtaining a thermoelectric figure of merit, zT, higher than 1.3 at high temperatures in n-type PbSe, because of the weak scattering of carriers in the conduction band as compared with that in the valence band. The invention further demonstrates favorable thermoelectric transport properties of n-type PbTe.sub.1-xI.sub.x with carrier concentrations ranging from 5.8.times.10.sup.18-1.4.times.10.sup.20 cm.sup.-3.

Dielectric study of chalcogenide (Se80Te20)94Ge6 glass

NASA Astrophysics Data System (ADS)

Sharma, Neha; Patial, Balbir Singh; Thakur, Nagesh

2018-04-01

In the present study, dielectric characteristics specifically dielectric constant (ɛ'), dielectric loss (ɛ″) and AC conductivity (σAC) have been investigated for chalcogenide (Se80Te20)94Ge6 glass in the frequency range from 1Hz to 1MHz and within the temperature range from 300 K to 380 K. ɛ'(ω) and ɛ″(ω) are found to be frequency and temperature dependent. This behaviour is interpreted on the basis of Guintini's theory of dielectric dispersion. The investigated glass obeys the power law ωs (s<1) and decreases as temperature rises. The obtained results are discussed in terms of the correlation barrier hopping (CBH) model proposed by Elliot.

Spin orbit and tetragonal crystalline field interaction in the valence band of CuInSe2-related ordered vacancy compound CuIn7Se12

NASA Astrophysics Data System (ADS)

Reena Philip, Rachel; Pradeep, B.; Shripathi, T.

2005-04-01

Thin films of the off-tie-line ordered vacancy compound CuIn7Se12 were deposited on optically flat glass substrates by multi-source co-evaporation method. The preliminary structural, compositional and morphological characterizations were done using X-ray diffraction, energy dispersive X-ray analysis and atomic force microscopy. The X-ray diffraction data were further analysed applying the Nelson-Riley method and CTB plus = experiment rule, respectively, for lattice constants (a = 5.746 Å and c = 11.78 Å) and bond length estimations (RCu-Se = 2.465 Å and RIn-Se = 2.554 Å). A detailed analysis of the optical absorption spectra of the compound, which exhibited a three-fold optical absorption structure in the fundamental gap region, yielded three characteristic direct energy gaps at 1.37, 1.48(7) and 1.72(8) eV indicative of valence band splitting, which were evaluated using Hopfield's quasi-cubic model. The 0.04 eV increase in spin-orbit splitting parameter of the compound (0.27 eV) compared to that of CuInSe2 (0.23 eV) is found to be suggestive of the smaller contribution of Cu d orbitals to hybridization (determined by the linear hybridization model) in this Cu-deficient compound. Spectral response spectra exhibit, in addition to a maximum around 1.34 ± 0.03 eV, two other defect transition peaks near 1.07 and 0.85 eV. The binding energies of Cu, In and Se in the compound were determined using X-ray photoelectron spectroscopy.

Chemical and structural evolution in the Th-SeO3(2-)/SeO4(2-) system: from simple selenites to cluster-based selenate compounds.

PubMed

Xiao, Bin; Langer, Eike; Dellen, Jakob; Schlenz, Hartmut; Bosbach, Dirk; Suleimanov, Evgeny V; Alekseev, Evgeny V

2015-03-16

While extensive success has been gained in the structural chemistry of the U-Se system, the synthesis and characterization of Th-based Se structures are widely unexplored. Here, four new Th-Se compounds, α-Th(SeO3)2, β-Th(SeO3)2, Th(Se2O5)2, and Th3O2(OH)2(SeO4)3, have been obtained from mild hydrothermal or low-temperature (180-220 °C) flux conditions and were subsequently structurally and spectroscopically characterized. The crystal structures of α-Th(SeO3)2 and β-Th(SeO3)2 are based on ThO8 and SeO3 polyhedra, respectively, featuring a three-dimensional (3D) network with selenite anions filling in the Th channels along the a axis. Th(Se2O5)2 is a 3D framework composed of isolated ThO8 polyhedra interconnected by [Se2O5](2-) dimers. Th3O2(OH)2(SeO4)3 is also a 3D framework constructed by octahedral hexathorium clusters [Th6(μ3-O)4(μ3-OH)4](12+), which are interlinked by selenate groups SeO4(2-). The positions of the vibrational modes associated with both Se(IV)O3(2-) and Se(VI)O4(2-) units, respectively, were determined for four compounds, and the Raman spectra of α- and β-Th(SeO3)2 are compared and discussed in detail.

Anisotropy of the (π, π) dynamic susceptibility in magnetically ordered (x=0.05) and superconducting (x = 0.40) Fe1.02Te1-xSex

NASA Astrophysics Data System (ADS)

Prokeš, K.; Hiess, A.; Bao, W.; Wheeler, E.; Landsgesell, S.; Argyriou, D. N.

2012-08-01

Polarized inelastic neutron scattering on magnetically ordered Fe1.02Te0.95Se0.05 and superconducting Fe1.02Te0.60Se0.40 has been used to elucidate the anisotropy of the magnetic dynamical susceptibility at or near the (π, π) momentum space position. By investigating Fe1.02Te0.60Se0.40 in its superconducting state at 2 K, where a spin resonance at about 6 meV has been reported, we show that the susceptibility in the direction perpendicular to the c axis is by about 35% larger than for the direction along the c axis suggesting dominant singlet pairing of s± type. At higher temperatures the same type of anisotropy is present in the spin dynamics of the normal state. On the other hand, for the Fe1.02Te0.95Se0.05 sample we find an almost isotropic response in the paramagnetic state. When the compound is magnetically ordered at (π, 0), the response near (π, π) persists, but with reduced intensity. The c-axis component is only slightly reduced whereas the in-plane component appears to be strongly reduced, leading to reverted anisotropy with respect to the superconducting compound.

Recent Progress in the Design of Advanced Cathode Materials and Battery Models for High-Performance Lithium-X (X = O2 , S, Se, Te, I2 , Br2 ) Batteries.

PubMed

Xu, Jiantie; Ma, Jianmin; Fan, Qinghua; Guo, Shaojun; Dou, Shixue

2017-07-01

Recent advances and achievements in emerging Li-X (X = O 2 , S, Se, Te, I 2 , Br 2 ) batteries with promising cathode materials open up new opportunities for the development of high-performance lithium-ion battery alternatives. In this review, we focus on an overview of recent important progress in the design of advanced cathode materials and battery models for developing high-performance Li-X (X = O 2 , S, Se, Te, I 2 , Br 2 ) batteries. We start with a brief introduction to explain why Li-X batteries are important for future renewable energy devices. Then, we summarize the existing drawbacks, major progress and emerging challenges in the development of cathode materials for Li-O 2 (S) batteries. In terms of the emerging Li-X (Se, Te, I 2 , Br 2 ) batteries, we systematically summarize their advantages/disadvantages and recent progress. Specifically, we review the electrochemical performance of Li-Se (Te) batteries using carbonate-/ether-based electrolytes, made with different electrode fabrication techniques, and of Li-I 2 (Br 2 ) batteries with various cell designs (e.g., dual electrolyte, all-organic electrolyte, with/without cathode-flow mode, and fuel cell/solar cell integration). Finally, the perspective on and challenges for the development of cathode materials for the promising Li-X (X = O 2 , S, Se, Te, I 2 , Br 2 ) batteries is presented. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tunability of the topological nodal-line semimetal phase in ZrSi X -type materials ( X = S ,   Se ,   Te )

DOE PAGES

Hosen, M. Mofazzel; Dimitri, Klauss; Belopolski, Ilya; ...

2017-04-03

The discovery of a topological nodal-line (TNL) semimetal phase in ZrSiS has invigorated the study of other members of this family. In this paper, we present a comparative electronic structure study ofmore » $$\\mathrm{ZrSi}X$$ (where $$X=\\text{S}$$, Se, Te) using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. Our ARPES studies show that the overall electronic structure of $$\\mathrm{ZrSi}X$$ materials comprises the diamond-shaped Fermi pocket, the nearly elliptical-shaped Fermi pocket, and a small electron pocket encircling the zone center ($$\\mathrm{{\\Gamma}}$$) point, the $M$ point, and the $X$ point of the Brillouin zone, respectively. We also observe a small Fermi surface pocket along the $$M{-}\\mathrm{{\\Gamma}}{-}M$$ direction in ZrSiTe, which is absent in both ZrSiS and ZrSiSe. Furthermore, our theoretical studies show a transition from nodal-line to nodeless gapped phase by tuning the chalcogenide from S to Te in these material systems. Finally, our findings provide direct evidence for the tunability of the TNL phase in $$\\mathrm{ZrSi}X$$ material systems by adjusting the spin-orbit coupling strength via the $X$ anion.« less

Composition and annealing effects on superconductivity in sintered and arc-melted Fe1+εTe0.5Se0.5

NASA Astrophysics Data System (ADS)

Foreman, M. M.; Ponti, G.; Mozaffari, S.; Markert, J. T.

2018-03-01

We present the results of x-ray diffraction, electrical resistivity, and ac magnetic susceptibility measurements on specimens of the “11”-structure superconductor Fe1+εTe0.50Se0.50 (0 ≤ ε ≤ 0.15). Samples were initially either sintered in sealed quartz tubes or melted in a zirconium-gettered arc furnace. Sintered samples were fired two to three times at temperatures of 425°C, 600°C, or 675°C, while arc-melted samples were studied both asmelted and after annealing at 650°C. X-ray diffraction data show a predominant PbO-type tetragonal phase, with a secondary hexagonal NiAs-type phase; for sintered specimens annealed at 600°C, the secondary phase decreases as ε increases over the range 0 ≤ ε ≤ 0.10, with the composition Fe1.10Te0.5Se0.5 exhibiting x-ray phase purity. A higher annealing temperature of 675°C provided such tetragonal phase purity at the composition Fe1.05Te0.5Se0.5. The resistive superconducting transition temperature Tc was nearly independent of the iron concentration 1+ε, suggesting a single superconducting phase, while the magnetic screening fraction varied greatly with concentration and conditions, peaking at ɛ = 0.07, indicating that the amount of superconducting phase is strongly dependent on conditions. We propose that the behaviour can also be viewed in terms of an electron-doped, chalcogen-deficient stoichiometry.

Structural, vibrational, and electronic topological transitions of Bi1.5Sb0.5Te1.8Se1.2 under pressure

NASA Astrophysics Data System (ADS)

Kim, Joon-Seok; Juneja, Rinkle; Salke, Nilesh P.; Palosz, Witold; Swaminathan, Venkataraman; Trivedi, Sudhir; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

2018-03-01

Topological insulators have been the subject of intense research interest due to their unique surface states that are topologically protected against scattering or defects. However, the relationship between the crystal structure and topological insulator state remains to be clarified. Here, we show the effects of hydrostatic pressure on the structural, vibrational, and topological properties of the topological insulator Bi1.5Sb0.5Te1.8Se1.2 up to 45 GPa using X-ray diffraction and Raman spectroscopy in a diamond anvil cell, together with first-principles theoretical calculations. Two pressure-induced structural phase transitions were observed: from ambient rhombohedral R 3 ¯ m phase to a monoclinic C2/m phase at ˜13 GPa, and to a disordered I4/mmm phase at ˜22 GPa. In addition, the alloy undergoes several electronic transitions within the R 3 ¯ m phase: indirect to direct bulk band gap transition at ˜5.8 GPa, bulk gap closing with an appearance of Dirac semimetal (DSM) state at ˜8.2 GPa, and to a trivial semimetal state at ˜12.1 GPa. Anomalies in c/a ratio and Raman full width at half maximum that coincide with the DSM phase suggest the contribution of electron-phonon coupling to the transition. Compared to binary end members Bi2Te3, Bi2Se3, and Sb2Te3, the structural phase transition and anomaly were observed at higher pressures in Bi1.5Sb0.5Te1.8Se1.2. These results suggest that the topological transitions are precursors to the structural phase transitions.

Fermiology and Superconductivity of Topological Surface States in PdTe2

NASA Astrophysics Data System (ADS)

Clark, O. J.; Neat, M. J.; Okawa, K.; Bawden, L.; Marković, I.; Mazzola, F.; Feng, J.; Sunko, V.; Riley, J. M.; Meevasana, W.; Fujii, J.; Vobornik, I.; Kim, T. K.; Hoesch, M.; Sasagawa, T.; Wahl, P.; Bahramy, M. S.; King, P. D. C.

2018-04-01

We study the low-energy surface electronic structure of the transition-metal dichalcogenide superconductor PdTe2 by spin- and angle-resolved photoemission, scanning tunneling microscopy, and density-functional theory-based supercell calculations. Comparing PdTe2 with its sister compound PtSe2 , we demonstrate how enhanced interlayer hopping in the Te-based material drives a band inversion within the antibonding p -orbital manifold well above the Fermi level. We show how this mediates spin-polarized topological surface states which form rich multivalley Fermi surfaces with complex spin textures. Scanning tunneling spectroscopy reveals type-II superconductivity at the surface, and moreover shows no evidence for an unconventional component of its superconducting order parameter, despite the presence of topological surface states.

Highly efficient near-infrared light-emitting diodes by using type-II CdTe/CdSe core/shell quantum dots as a phosphor

NASA Astrophysics Data System (ADS)

Shen, Huaibin; Zheng, Ying; Wang, Hongzhe; Xu, Weiwei; Qian, Lei; Yang, Yixing; Titov, Alexandre; Hyvonen, Jake; Li, Lin Song

2013-11-01

In this paper, we present an innovative method for the synthesis of CdTe/CdSe type-II core/shell structure quantum dots (QDs) using ‘greener’ chemicals. The PL of CdTe/CdSe type-II core/shell structure QDs ranges from 600 to 820 nm, and the as-synthesized core/shell structures show narrow size distributions and stable and high quantum yields (50-75%). Highly efficient near-infrared light-emitting diodes (LEDs) have been demonstrated by employing the CdTe/CdSe type-II core/shell QDs as emitters. The devices fabricated based on these type-II core/shell QDs show color-saturated near-infrared emission from the QD layers, a low turn-on voltage of 1.55 V, an external quantum efficiency (EQE) of 1.59%, and a current density and maximum radiant emittance of 2.1 × 103 mA cm-2 and 17.7 mW cm-2 at 8 V it is the first report to use type-II core/shell QDs as near-infrared emitters and these results may offer a practicable platform for the realization of near-infrared QD-based light-emitting diodes, night-vision-readable displays, and friend/foe identification system.

Atomistic tight-binding theory of excitonic splitting energies in CdX(X = Se, S and Te)/ZnS core/shell nanocrystals

NASA Astrophysics Data System (ADS)

Sukkabot, Worasak; Pinsook, Udomsilp

2017-01-01

Using the atomistic tight-binding theory (TB) and a configuration interaction description (CI), we numerically compute the excitonic splitting of CdX(X = Se, S and Te)/ZnS core/shell nanocrystals with the objective to explain how types of the core materials and growth shell thickness can provide the detailed manipulation of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting, beneficial for the active application of quantum information. To analyze the splitting of the excitonic states, the optical band gaps, ground-state wave function overlaps and atomistic electron-hole interactions tend to be numerically demonstrated. Based on the atomistic computations, the single-particle and excitonic gaps are mainly reduced with the increasing ZnS shell thickness owing to the quantum confinement. In the range of the higher to lower energies, the order of the single-particle gaps is CdSe/ZnS, CdS/ZnS and CdTe/ZnS core/shell nanocrystals, while one of the excitonic gaps is CdS/ZnS, CdSe/ZnS and CdTe/ZnS core/shell nanocrystals because of the atomistic electron-hole interaction. The strongest electron-hole interactions are mainly observed in CdSe/ZnS core/shell nanocrystals. In addition, the computational results underline that the energies of the dark-dark (DD), dark-bright (DB) and bright-bright (BB) excitonic splitting are generally reduced with the increasing ZnS growth shell thickness as described by the trend of the electron-hole exchange interaction. The high-to-low splitting of the excitonic states is demonstrated in CdSe/ZnS, CdTe/ZnS and CdS/ZnS core/shell nanocrystals because of the fashion in the electron-hole exchange interaction and overlaps of the electron-hole wave functions. As the resulting calculations, it is expected that CdS/ZnS core/shell nanocrystals are the best candidates to be the source of entangled photons. Finally, the comprehensive information on the excitonic splitting can enable the use of suitable core

Photoluminescence of double core/shell infrared (CdSeTe)/ZnS quantum dots conjugated to Pseudo rabies virus antibodies

NASA Astrophysics Data System (ADS)

Torchynska, T. V.; Casas Espinola, J. L.; Jaramillo Gómez, J. A.; Douda, J.; Gazarian, K.

2013-06-01

Double core CdSeTe/ZnS quantum dots (QDs) with emission at 800 nm (1.60 eV) have been studied by photoluminescence (PL) and Raman scattering methods in the non-conjugated state and after the conjugation to the Pseudo rabies virus (PRV) antibodies. The transformation of PL spectra, stimulated by the electric charge of antibodies, has been detected for the bioconjugated QDs. Raman scattering spectra are investigated with the aim to reveal the CdSeTe core compositions. The double core QD energy diagrams were designed that help to analyze the PL spectra and their transformation at the bioconjugation. It is revealed that the interface in double core QDs has the type II quantum well character that permits to explain the near IR optical transition (1.60 eV) in the double core QDs. It is shown that the essential transformation of PL spectra is useful for the study of QD bioconjugation with specific antibodies and can be a powerful technique in early medical diagnostics.

Weak antilocalization effect due to topological surface states in Bi2Se2.1Te0.9

NASA Astrophysics Data System (ADS)

Shrestha, K.; Graf, D.; Marinova, V.; Lorenz, B.; Chu, C. W.

2017-10-01

We have investigated the weak antilocalization (WAL) effect in the p-type Bi2Se2.1Te0.9 topological system. The magnetoconductance shows a cusp-like feature at low magnetic fields, indicating the presence of the WAL effect. The WAL curves measured at different tilt angles merge together when they are plotted as a function of the normal field components, showing that surface states dominate the magnetoconductance in the Bi2Se2.1Te0.9 crystal. We have calculated magnetoconductance per conduction channel and applied the Hikami-Larkin-Nagaoka formula to determine the physical parameters that characterize the WAL effect. The number of conduction channels and the phase coherence length do not change with temperature up to T = 5 K. In addition, the sample shows a large positive magnetoresistance that reaches 1900% under a magnetic field of 35 T at T = 0.33 K with no sign of saturation. The magnetoresistance value decreases with both increasing temperature and tilt angle of the sample surface with respect to the magnetic field. The large magnetoresistance of topological insulators can be utilized in future technology such as sensors and memory devices.

Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

NASA Technical Reports Server (NTRS)

Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Ramdas, A.; Su, Ching-Hua; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(x)V(1-x), alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(x),V(1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(x)Te(l-x) and ZnSe(Y)Te(1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(y)Te(1-y) alloys in the entire composition range, 0 less than or equal to y less than or equal to 1. The samples used in this study are bulk ZnSe(y)Te(1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the interaction between

Pressure-volume relations and bulk modulus under pressure of tetrahedral compounds

NASA Astrophysics Data System (ADS)

Soma, T.; Takahashi, Y.; Kagaya, H.-M.

1985-03-01

The pressure-volume relation and the compression effect on the bulk modulus of tetrahedral compounds such as GaP, InP, ZnS, ZnSe, ZnTe and CdTe are investigated from the electronic theory of solids by using a recently presented binding force, which includes mainly covalent interactions in the pseudopotential formalism and partially ionic interactions. The calculated results of the pressure-volume relations involving the pressure-induced phase transition are useful when comparing with the experimental data under high pressure. The calculated bulk modulus of these compounds increases as the crystal volume decreases. Further, the pressure derivative of bulk modulus is not constant and decreases with the reduction of the crystal volume.

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

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

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

2015-05-07

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

Synthesis, properties and applications of 2D layered MIIIXVI (M = Ga, In; X = S, Se, Te) materials.

PubMed

Xu, Kai; Yin, Lei; Huang, Yun; Shifa, Tofik Ahmed; Chu, Junwei; Wang, Feng; Cheng, Ruiqing; Wang, Zhenxing; He, Jun

2016-09-29

Group III-VI compounds M III X VI (M = Ga, In; X = S, Se, Te) are one class of important 2D layered materials and are currently attracting increasing interest due to their unique electronic and optoelectronic properties and their great potential applications in various other fields. Similar to 2D layered transition metal dichalcogenides (TMDs), M III X VI also have the significant merits of ultrathin thickness, ultrahigh surface-to-volume ratio, and high compatibility with flexible devices. More impressively, in contrast with TMDCs, M III X VI demonstrate many superior properties, such as direct band gap electronic structure, high carrier mobility, rare p-type electronic behaviors, high charge density, and so on. These unique characteristics cause high-performance device applications in electronics, optoelectronics, and optics. In this review, we aim to provide a summary of the state-of-the-art of research activities in 2D layered M III X VI materials. The scope of the review covers the synthesis and properties of 2D layered M III X VI materials and their van der Waals heterostructures. We especially focus on the applications in electronics and optoelectronics. Moreover, the review concludes with some perspectives on future developments in this field.

Few-layer nanoplates of Bi 2 Se 3 and Bi 2 Te 3 with highly tunable chemical potential.

PubMed

Kong, Desheng; Dang, Wenhui; Cha, Judy J; Li, Hui; Meister, Stefan; Peng, Hailin; Liu, Zhongfan; Cui, Yi

2010-06-09

A topological insulator (TI) represents an unconventional quantum phase of matter with insulating bulk band gap and metallic surface states. Recent theoretical calculations and photoemission spectroscopy measurements show that group V-VI materials Bi(2)Se(3), Bi(2)Te(3), and Sb(2)Te(3) are TIs with a single Dirac cone on the surface. These materials have anisotropic, layered structures, in which five atomic layers are covalently bonded to form a quintuple layer, and quintuple layers interact weakly through van der Waals interaction to form the crystal. A few quintuple layers of these materials are predicted to exhibit interesting surface properties. Different from our previous nanoribbon study, here we report the synthesis and characterizations of ultrathin Bi(2)Te(3) and Bi(2)Se(3) nanoplates with thickness down to 3 nm (3 quintuple layers), via catalyst-free vapor-solid (VS) growth mechanism. Optical images reveal thickness-dependent color and contrast for nanoplates grown on oxidized silicon (300 nm SiO(2)/Si). As a new member of TI nanomaterials, ultrathin TI nanoplates have an extremely large surface-to-volume ratio and can be electrically gated more effectively than the bulk form, potentially enhancing surface state effects in transport measurements. Low-temperature transport measurements of a single nanoplate device, with a high-k dielectric top gate, show decrease in carrier concentration by several times and large tuning of chemical potential.

L-dependence of low energy spin excitations in FeTe/Se superconductors

NASA Astrophysics Data System (ADS)

Xu, Guangyong; Xu, Zhijun; Schneeloch, John; Wen, Jinsheng; Winn, Barry; Zhao, Yang; Birgeneau, Robert; Gu, Genda; Tranquada, John

We will present neutron scattering measurements on low energy magnetic excitations from FeTe1-xSex (``11'' system) samples. Our work shows that the low energy magnetic excitations are dominated by 2D correlations in the superconducting (SC) compound at low temperature, with the L-dependence well described by the Fe magnetic form factor. However, at temperatures much higher than TC, the magnetic excitations become more three-dimensional with a clear change in the L-dependence. The low energy magnetic excitations from non-superconducting (NSC) samples, on the other hand, always exhibit three-dimensional features for the entire temperature range of our measurements. Our results suggest that in additional to in-plane correlations, the inter-plane spin correlations are also coupled to the superconducting properties in the ``11'' system.

Superconductivity in the 2-Dimensional Homologous Series AMm Bi3 Q5+m (m=1, 2) (A=Rb, Cs; M=Pb, Sn; Q=Se, Te).

PubMed

Malliakas, Christos D; Chung, Duck Young; Claus, Helmut; Kanatzidis, Mercouri G

2018-05-17

Superconductivity in the two-dimensional AM m Bi 3 Q 5+m family of semimetals is reported. The AMBi 3 Te 6 (m=1) and AM 2 Bi 3 Te 7 (m=2) members of the homologous series with A=Rb, Cs and M=Pb, Sn undergo a bulk superconducting transition ranging from 2.7 to 1.4 K depending on the composition. The estimated superconducting volume fraction is about 90 %. Superconducting phase diagrams as a function of chemical pressure are constructed for the solid solution products of each member of the homologous series, AMBi 3-x Sb x Te 6-y Se y and AM 2 Bi 3-x Sb x Te 7-y Se y (0≤x≤3 or 0≤y≤2). The structural flexibility of the ternary AM m M' 3 Te 5+m semiconducting homology to form isostructural analogues with a variety of metals, M=Pb, Sn; M'=Bi, Sb, gives access to a large number of electronic configurations and superconductivity due to chemical pressure effects. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Point defects in CdTe xSe 1-x crystals grown from a Te-rich solution for applications in detecting radiation

DOE PAGES

Gul, R.; Roy, U. N.; Bolotnikov, A. E.; ...

2015-04-15

We investigated cadmium telluride selenide (CdTeSe) crystals, newly grown by the Traveling Heater Method (THM), for the presence and abundance of point defects. Deep Level Transient spectroscopy (I-DLTS) was used to determine the energies of the traps, their capture cross sections, and densities. The bias across the detectors was varied from (1–30) V. Four types of point defects were identified, ranging from 10 meV to 0.35 eV. Two dominant traps at energies of 0.18 eV and 0.14 eV were studied in depth. Cd vacancies are found at lower concentrations than other point defects present in the material.

Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment

NASA Technical Reports Server (NTRS)

Su, Ching-Hua

2014-01-01

A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). There are two sections of the flight experiment: (I) crystal growth of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT) and (II) melt growth of CdZnTe by directional solidification. The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Growth of Compound Semiconductors in a Low Gravity Environment: Microgravity Growth of PbSnTe

NASA Technical Reports Server (NTRS)

Fripp, A. L.; Debnam, W. J.; Rosch, W. R.; Baker, N. R.; Narayanan, R.

1999-01-01

The growth of the alloy compound semiconductor lead tin telluride (PbSnTe) was chosen for a microgravity flight experiment in the Advanced Automated Directional Solidification Furnace (AADSF), on the United States Microgravity Payload-3 (USNP-3) in February, 1996 and on USNW- 4 in November, 1997. The objective of these experiments was to determine the effect of the reduction in convection, during the growth process, brought about by the microgravity environment. The properties of devices made from PbSnTe, an alloy of PbTe and SnTe, are dependent on the ratio of the elemental components in the starting crystal. Compositional uniformity in the crystal is only obtained if there is no significant mixing in the liquid during growth. The technological importance of PbSnTe lies in its band gap versus composition diagram which has a zero energy crossing at approximately 40% SnTe. This facilitates the construction of long wavelength (greater than 6 gm) infrared detectors and lasers. The properties and utilization of PbSnTe are the subject of other papers. 1,2 PbSnTe is also interesting from a purely scientific point of view. It is, potentially, both solutally and thermally unstable due to the temperature and density gradients present during growth. Density gradients, through thermal expansion, are imposed in directional solidification because temperature gradients are required to extract heat. Solutal gradients occur in directional solidification of alloys due to segregation at the interface. Usually the gradients vary with both experiment design and inherent materials properties. In a simplified one dimensional analysis with the growth axis parallel to the gravity vector, only one of the two instabilities work at a time. During growth, the temperature in the liquid increases ahead of the interface. Therefore the density, due to thermal expansion, is decreasing in that direction. However, the phase diagram shows that the lighter SnTe is preferentially rejected at the

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.

Compositions of Mg and Se, surface morphology, roughness and Raman property of Zn1-xMgxSeyTe1-y layers grown at various substrate temperatures or dopant transport rates by MOVPE

NASA Astrophysics Data System (ADS)

Nishio, Mitsuhiro; Saito, Katsuhiko; Urata, Kensuke; Okamoto, Yasuhiro; Tanaka, Daichi; Araki, Yasuhiro; Abiru, Masakatsu; Mori, Eiichiro; Tanaka, Tooru; Guo, Qixin

2015-03-01

The growth of undoped and phosphorus (P)-doped Zn1-xMgxSeyTe1-y layers on (100) ZnTe substrates by metalorganic vapor phase epitaxy was carried out. The compositions of Mg and Se, surface morphology, roughness and Raman property were characterized as a function of substrate temperature. Not only the compositions of Mg and Se but also the crystal quality of undoped Zn1-xMgxSeyTe1-y layer strongly depended upon the substrate temperature. Furthermore, the growth of Zn1-xMgxSeyTe1-y layer nearly-lattice-matched to ZnTe substrate was achieved independent of the transport rate of trisdimethylaminophosphorus. Undoped Zn1-xMgxSeyTe1-y layer nearly-lattice-matched to ZnTe led to improvement of surface roughness. On the other hand, P doping brought about deterioration of crystalline quality.

Temperature and composition phase diagram in the iron-based ladder compounds Ba1-xCsxFe2Se3

NASA Astrophysics Data System (ADS)

Hawai, Takafumi; Nambu, Yusuke; Ohgushi, Kenya; Du, Fei; Hirata, Yasuyuki; Avdeev, Maxim; Uwatoko, Yoshiya; Sekine, Yurina; Fukazawa, Hiroshi; Ma, Jie; Chi, Songxue; Ueda, Yutaka; Yoshizawa, Hideki; Sato, Taku J.

2015-05-01

We investigated the iron-based ladder compounds (Ba,Cs ) Fe2Se3 . Their parent compounds BaFe2Se3 and CsFe2Se3 have different space groups, formal valences of Fe, and magnetic structures. Electrical resistivity, specific heat, magnetic susceptibility, x-ray diffraction, and powder neutron diffraction measurements were conducted to obtain a temperature and composition phase diagram of this system. Block magnetism observed in BaFe2Se3 is drastically suppressed with Cs doping. In contrast, stripe magnetism observed in CsFe2Se3 is not so fragile against Ba doping. A new type of magnetic structure appears in intermediate compositions, which is similar to stripe magnetism of CsFe2Se3 , but interladder spin configuration is different. Intermediate compounds show insulating behavior, nevertheless a finite T -linear contribution in specific heat was obtained at low temperatures.

Low-Cost Lattice Matching Si Based Composite Substrates for HgCdTe

DTIC Science & Technology

2013-09-01

211). ..............................................5 Figure 3. Relationship between calculated alloy compositions based on Se/CdTe BEP ratio and...Se:CdTe beam equivalent pressure ( BEP ) ratios. During CdSeTe growth, Se and Te are in competition for the same nucleation sites. If we assume that all...therefore, x(cal) = ΦSe/ΦCd = 2ΦSe/ΦCdTe, where Φ is the BEP of the material, measured by the nude ion gauge at the substrate position. Figure 3 shows the

Intrinsically High Thermoelectric Performance in AgInSe2 n-Type Diamond-Like Compounds.

PubMed

Qiu, Pengfei; Qin, Yuting; Zhang, Qihao; Li, Ruoxi; Yang, Jiong; Song, Qingfeng; Tang, Yunshan; Bai, Shengqiang; Shi, Xun; Chen, Lidong

2018-03-01

Diamond-like compounds are a promising class of thermoelectric materials, very suitable for real applications. However, almost all high-performance diamond-like thermoelectric materials are p-type semiconductors. The lack of high-performance n-type diamond-like thermoelectric materials greatly restricts the fabrication of diamond-like material-based modules and their real applications. In this work, it is revealed that n-type AgInSe 2 diamond-like compound has intrinsically high thermoelectric performance with a figure of merit ( zT ) of 1.1 at 900 K, comparable to the best p-type diamond-like thermoelectric materials reported before. Such high zT is mainly due to the ultralow lattice thermal conductivity, which is fundamentally limited by the low-frequency Ag-Se "cluster vibrations," as confirmed by ab initio lattice dynamic calculations. Doping Cd at Ag sites significantly improves the thermoelectric performance in the low and medium temperature ranges. By using such high-performance n-type AgInSe 2 -based compounds, the diamond-like thermoelectric module has been fabricated for the first time. An output power of 0.06 W under a temperature difference of 520 K between the two ends of the module is obtained. This work opens a new window for the applications using the diamond-like thermoelectric materials.

Effect of Sb content on the physical properties of Ge-Se-Te chalcogenide glasses

NASA Astrophysics Data System (ADS)

Vashist, Priyanka; Anjali, Patial, Balbir Singh; Thakur, Nagesh

2018-05-01

In the present study, the bulk as-(Se80Te20)94-xGe6Sbx (x = 0, 1, 2, 4, 6, 8) glasses were synthesized using melt quenching technique. The physical properties viz coordination number, lone pair of electrons, number of constraints, glass transition temperature, mean bond energy, cohesive energy, electro-negativity and average heat of atomization of the investigated composition are reported and discussed. It is inferred that on increasing Sb content; average coordination number, average number of constraints, mean bond energy, cohesive energy and glass transition temperature increases but lone pair of electrons, average heat of atomization and deviation of stoichiometry decreases.

Band Anticrossing in Highly Mismatched Compound Semiconductor Alloys

NASA Technical Reports Server (NTRS)

Yu, Kin Man; Wu, J.; Walukiewicz, W.; Ager, J. W.; Haller, E. E.; Miotkowski, I.; Su, Ching-Hua; Curreri, Peter A. (Technical Monitor)

2001-01-01

Compound semiconductor alloys in which metallic anions are partially replaced with more electronegative isoelectronic atoms have recently attracted significant attention. Group IIIN(sub x)V(sub 1-x) alloys with a small amount of the electronegative N substituting more metallic column V elements has been the most extensively studied class of such Highly Mismatched Alloys (HMAs). We have shown that many of the unusual properties of the IIIN(sub x)V(sub 1-x) alloys can be well explained by the Band Anticrossing (BAC) model that describes the electronic structure in terms of an interaction between highly localized levels of substitutional N and the extended states of the host semiconductor matrix. Most recently the BAC model has been also used to explain similar modifications of the electronic band structure observed in Te-rich ZnS(sub x)Te(sub 1-x) and ZnSe(sub y)Te(sub 1-y) alloys. To date studies of HMAs have been limited to materials with relatively small concentrations of highly electronegative atoms. Here we report investigations of the electronic structure of ZnSe(sub y)Te(sub 1-y) alloys in the entire composition range, y between 0 and 1. The samples used in this study are bulk ZnSe(sub y)Te(sub 1-y) crystals grown by either a modified Bridgman method or by physical vapor transport. Photomodulated reflection (PR) spectroscopy was used to measure the composition dependence of optical transitions from the valence band edge and from the spin-orbit split off band to the conduction band. The pressure dependence of the band gap was measured using optical absorption in a diamond anvil cell. We find that the energy of the spin-orbit split off valence band edge does not depend on composition and is located at about 3 eV below the conduction band edge of ZnSe. On the Te-rich side the pressure and the composition dependence of the optical transitions are well explained by the BAC model which describes the downward shift of the conduction band edge in terms of the

Enhanced photoelectrochemical aptasensing platform based on exciton energy transfer between CdSeTe alloyed quantum dots and SiO2@Au nanocomposites.

PubMed

Fan, Gao-Chao; Zhu, Hua; Shen, Qingming; Han, Li; Zhao, Ming; Zhang, Jian-Rong; Zhu, Jun-Jie

2015-04-25

High-efficient exciton energy transfer between CdSeTe alloyed quantum dots and SiO2@Au nanocomposites was applied to develop an enhanced photoelectrochemical aptasensing platform with ultrahigh sensitivity, good selectivity, reproducibility and stability.

Effect of selenium deficiency on the thermoelectric properties of n -type In 4 Se 3 - x compounds

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

Zhu, G. H.; Lan, Y. C.; Wang, H.

2011-03-01

Thermoelectric properties of dense bulk polycrystalline In 4 Se 3 - x ( x = 0, 0.25, 0.5, 0.65, and 0.8) compounds are investigated. A peak dimensionless thermoelectric figure of merit ( ZT ) of about 1 is achieved for x = 0.65 and 0.8. The peak ZT is about 50% higher than the previously reported highest value for polycrystalline In 4 Se 3 - x compounds. Our In 4 Se 3 - x samples were prepared by ball milling and hot pressing. We show that it is possible to effectively control the electrical conductivity and thermal conductivity by controllingmore » selenium (Se) deficiency x . The ZT enhancement is mainly attributed to the thermal conductivity reduction due to the increased phonon scattering by Se deficiency, defects, and nanoscale inclusions in the ball-milled and hot-pressed dense bulk In 4 Se 3 - x samples.« less

Effect of selenium deficiency on the thermoelectric properties of n-type In 4Se 3-x compounds

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

Zhu, G H; Lan, Y C; Wang, H

2011-03-04

Thermoelectric properties of dense bulk polycrystalline In 4Se 3-x (x = 0, 0.25, 0.5, 0.65, and 0.8) compounds are investigated. A peak dimensionless thermoelectric figure of merit (ZT) of about 1 is achieved for x = 0.65 and 0.8. The peak ZT is about 50% higher than the previously reported highest value for polycrystalline In 4Se 3-x} compounds. Our In 4Se 3-x samples were prepared by ball milling and hot pressing. We show that it is possible to effectively control the electrical conductivity and thermal conductivity by controlling selenium (Se) deficiency x. The ZT enhancement is mainly attributed to themore » thermal conductivity reduction due to the increased phonon scattering by Se deficiency, defects, and nanoscale inclusions in the ball-milled and hot-pressed dense bulk In 4Se 3-x samples.« less

Investigation of Optical Nonlinearities in Bi-Doped Se-Te Chalcogenide Thin Films

NASA Astrophysics Data System (ADS)

Yadav, Preeti; Sharma, Ambika

2015-03-01

The present paper reports the nonlinear optical properties of chalcogenide Se85- x Te15Bi x (0 ≤ x ≤ 5) thin films. The formulation proposed by Boling, Fournier, and Snitzer and Tichy and Ticha has been used to compute the nonlinear refractive index n 2. The two-photon absorption coefficient β 2, and first- and third-order susceptibilities [ χ (1) and χ (3)] are also reported. The nonlinear refractive index n 2 is well correlated with the linear refractive index n and Wemple-DiDomenico (WDD) parameters, in turn depending on the density ρ and molar volume V m of the system. The density of the system is calculated experimentally by using Archimedes' principle. The linear optical parameters, viz. n, WDD parameters, and optical bandgap E g, are measured experimentally using ellipsometric curves obtained by spectrophotometry. The composition-dependent behavior of n 2 is analyzed on the basis of various parameters, viz. density, bond distribution, cohesive energy (CE), and optical bandgap E g, of the system. The variation of n 2 and β 2 with changing bandgap E g is also reported. The values of n 2 and χ (3) of the investigated chalcogenides are compared with those of pure silica, oxide, and other Se-based glasses.

First-principles Study of Phonons in Structural Phase Change of Ge-Sb-Te Compounds

NASA Astrophysics Data System (ADS)

Song, Young-Sun; Kim, Jeongwoo; Kim, Minjae; Jhi, Seung-Hoon

Ge-Sb-Te (GST) compounds, exhibiting substantial electrical and optical contrast at extremely fast switching modes, have attracted great attention for application as non-volatile memory devices. Despite extensive studies of GST compounds, the underlying mechanism for fast transitions between amorphous and crystalline phases is yet to be revealed. We study the vibrational property of various GST compounds and the role of nitrogen doping on phase-change processes using first-principles calculations. We find that a certain vibrational mode (Eu) plays a crucial role to determine transition temperatures, and that its frequency depends on the amount of Ge in GST. We also find that the nitrogen doping drives crystalline-amorphous transition at low power consumption modes. In addition, we discuss the effect of the spin-orbit coupling on vibration modes, which is known essential for correct description of the electrical property of GST. Our understanding of phonon modes in GST compounds paves the way for the improving the device performance especially in terms of switching speed and operating voltage.

Coexistence of superconductivity and short-range double-stripe spin correlations in Te-vapor annealed FeTe 1–xSe x with x ≤ 0.2

DOE PAGES

Xu, Zhijun; Tranquada, John M.; Schneeloch, J. A.; ...

2018-06-30

In as-grown bulk crystals of Fe 1+yTe 1–xSe x with x ≲ 0.3, excess Fe (y > 0) is inevitable and correlates with a suppression of superconductivity. At the same time, t here remains the question as to whether the character of the antiferromagnetic correlations associated wi th the enhanced anion height above the Fe planes in Te-rich samples is compatible with superconductivity. To t est this, we have annealed as-grown crystals with x = 0.1 and 0.2 in Te vapor, effectively reducing the excess Fe and in ducing bulk superconductivity. Inelastic neutron scattering measurements reveal low-energy magnet ic excitationsmore » consistent with short-range correlations of the double-stripe type; nevertheless, cooling int o the superconducting state results in a spin gap and a spin resonance, with the extra signal in the resonance being short-range with a mixed single-stripe/double-stripe character, which is different than other iron-based superconductors. In conclusion, the mixed magnetic character of these superconducting samples does not appear to be trivially explainable by inhomogeneity.« less

Coexistence of superconductivity and short-range double-stripe spin correlations in Te-vapor annealed FeTe 1–xSe x with x ≤ 0.2

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

Xu, Zhijun; Tranquada, John M.; Schneeloch, J. A.

In as-grown bulk crystals of Fe 1+yTe 1–xSe x with x ≲ 0.3, excess Fe (y > 0) is inevitable and correlates with a suppression of superconductivity. At the same time, t here remains the question as to whether the character of the antiferromagnetic correlations associated wi th the enhanced anion height above the Fe planes in Te-rich samples is compatible with superconductivity. To t est this, we have annealed as-grown crystals with x = 0.1 and 0.2 in Te vapor, effectively reducing the excess Fe and in ducing bulk superconductivity. Inelastic neutron scattering measurements reveal low-energy magnet ic excitationsmore » consistent with short-range correlations of the double-stripe type; nevertheless, cooling int o the superconducting state results in a spin gap and a spin resonance, with the extra signal in the resonance being short-range with a mixed single-stripe/double-stripe character, which is different than other iron-based superconductors. In conclusion, the mixed magnetic character of these superconducting samples does not appear to be trivially explainable by inhomogeneity.« less

Strong 3D and 1D magnetism in hexagonal Fe-chalcogenides FeS and FeSe vs. weak magnetism in hexagonal FeTe

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

Parker, David S.

2017-06-13

We present a comparative theoretical study of the hexagonal forms of the Fe-chalcogenides FeS, FeSe and FeTe with their better known tetragonal forms. While the tetragonal forms exhibit only an incipient antiferromagnetism and experimentally show superconductivity when doped, the hexagonal forms of FeS and FeSe display a robust magnetism. We show that this strong magnetism arises from a van Hove singularity associated with the direct Fe-Fe c-axis chains in the generally more three-dimensional NiAs structure. We also find that hexagonal FeTe is much less magnetic than the other two hexagonal materials, so that unconventional magnetically-mediated superconductivity is possible, although amore » large T c value is unlikely.« less

Impact of Pb content on the physical parameters of Se-Te-Pb system

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

Anjali,; Sharma, Raman; Thakur, Nagesh

2015-05-15

In the present study, we have investigated the impact of Pb content on the physical parameters in Se-Te-Pb system via average coordination number, constraints, the fraction of floppy modes, cross-linking density, lone pairs electrons, heat of atomization, mean bond energy, cohesive energy and electronegativity. The bulk samples have been prepared by using melt quenching technique. X-ray diffraction pattern of various samples indicates the amorphous nature of investigated glassy alloys. It is observed that average coordination number, average number of constraints and cross-linking density increase with Pb content. However, lone-pair electrons, floppy modes, average heat of atomization, cohesive energy and meanmore » bond energy are found to decrease with Pb atomic percentage.« less

Observation of amorphous to crystalline phase transformation in Te substituted Sn-Sb-Se thin films

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

Chander, Ravi, E-mail: rcohri@yahoo.com

2015-05-15

Thin films of Sn-Sb-Se-Te (8 ≤ x ≤ 14) chalcogenide system were prepared by thermal evaporation technique using melt quenched bulk samples. The as-prepared thin films were found amorphous as evidenced from X-ray diffraction studies. Resistivity measurement showed an exponential decrease with temperature upto critical temperature (transition temperature) beyond which a sharp decrease was observed and with further increase in temperature showed an exponential decrease in resistivity with different activation energy. The transition temperature showed a decreasing trend with tellurium content in the sample. The resistivity measurement during cooling run showed no abrupt change in resistivity. The resistivity measurements ofmore » annealed films did not show any abrupt change revealing the structural transformation occurring in the material. The transition width showed an increase with tellurium content in the sample. The resistivity ratio showed two order of magnitude improvements for sample with higher tellurium content. The observed transition temperature in this system was found quite less than already commercialized Ge-Sb-Te system for optical and electronic memories.« less

A Comparison of Point Defects in Cd 1-xZn xTe 1-ySe y Crystals Grown by Bridgman and Traveling Heater Methods

DOE PAGES

Gul, R.; Roy, U. N.; Camarda, G. S.; ...

2017-03-28

In this study, the properties of point defects in Cd 1–xZn xTe 1–ySe y (CZTS) radiation detectors are characterized using deep-level transient spectroscopy and compared between materials grown using two different methods, the Bridgman method and the traveling heater method. The nature of the traps was analyzed in terms of their capture cross-sections and trap concentrations, as well as their effects on the measured charge-carrier trapping and de-trapping times, and then compared for the two growth techniques. The results revealed that Se addition to CdZnTe can reduce the V Cd – concentration. In Travelling Heater Method (THM) and Bridgman Methodmore » (BM) grown CZTS detectors, besides a few similarities in the shallow and medium energy traps, there were major differences in the deep traps. It was observed that the excess-Te and lower growth-temperature conditions in THM-grown CZTS led to a complete compensation of V Cd – and two additional traps (attributed to Te i – and Te Cd ++ appearing at around E v + 0.26 eV and E c – 0.78 eV, respectively). The 1.1-eV deep trap related to large Te secondary phases was a dominant trap in the BM-grown CZTS crystals. In addition to i-DLTS data, the effects of point defects induced due to different processing techniques on the detector's resistivity, spectral response to gammas, and μτ product were determined.« less

A Comparison of Point Defects in Cd 1-xZn xTe 1-ySe y Crystals Grown by Bridgman and Traveling Heater Methods

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

Gul, R.; Roy, U. N.; Camarda, G. S.

In this study, the properties of point defects in Cd 1–xZn xTe 1–ySe y (CZTS) radiation detectors are characterized using deep-level transient spectroscopy and compared between materials grown using two different methods, the Bridgman method and the traveling heater method. The nature of the traps was analyzed in terms of their capture cross-sections and trap concentrations, as well as their effects on the measured charge-carrier trapping and de-trapping times, and then compared for the two growth techniques. The results revealed that Se addition to CdZnTe can reduce the V Cd – concentration. In Travelling Heater Method (THM) and Bridgman Methodmore » (BM) grown CZTS detectors, besides a few similarities in the shallow and medium energy traps, there were major differences in the deep traps. It was observed that the excess-Te and lower growth-temperature conditions in THM-grown CZTS led to a complete compensation of V Cd – and two additional traps (attributed to Te i – and Te Cd ++ appearing at around E v + 0.26 eV and E c – 0.78 eV, respectively). The 1.1-eV deep trap related to large Te secondary phases was a dominant trap in the BM-grown CZTS crystals. In addition to i-DLTS data, the effects of point defects induced due to different processing techniques on the detector's resistivity, spectral response to gammas, and μτ product were determined.« less

Surface Collective Modes in the Topological Insulators Bi 2 Se 3 and Bi 0.5 Sb 1.5 Te 3 - x Se x

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

Kogar, A.; Vig, S.; Thaler, A.

We used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi 2 Se 3 and Bi 0.5 Sb 1.5 Te 3 - x Se x . Our goal was to identify the “spin plasmon” predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ '' ( q , ω ) at THz energy scales, and is themore » most likely origin of a quasiparticle dispersion kink observed in previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role« less

Surface collective modes in the topological insulators Bi 2Se 3 and Bi 0.5Sb 1.5Te 3-xSe x

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

Kogar, A.; Gu, G.; Vig, S.

In this study, we used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi 2Se 3 and Bi 0.5Sb 1.5Te 3-xSe x. Our goal was to identify the “spin plasmon” predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ''(q,ω) at THz energy scales, and is the most likely origin of a quasiparticle dispersion kink observed inmore » previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role.« less

Surface Collective Modes in the Topological Insulators Bi 2 Se 3 and Bi 0.5 Sb 1.5 Te 3 - x Se x

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

Kogar, A.; Vig, S.; Thaler, A.

We used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi 2Se 3 and Bi 0.5Sb 1.5Te 3-xSe x . Our goal was to identify the “spin plasmon” predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ '' ( q , ω ) at THz energy scales, and is the most likely origin of a quasiparticlemore » dispersion kink observed in previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role.« less

Surface collective modes in the topological insulators Bi 2Se 3 and Bi 0.5Sb 1.5Te 3-xSe x

DOE PAGES

Kogar, A.; Gu, G.; Vig, S.; ...

2015-12-15

In this study, we used low-energy, momentum-resolved inelastic electron scattering to study surface collective modes of the three-dimensional topological insulators Bi 2Se 3 and Bi 0.5Sb 1.5Te 3-xSe x. Our goal was to identify the “spin plasmon” predicted by Raghu and co-workers [Phys. Rev. Lett. 104, 116401 (2010)]. Instead, we found that the primary collective mode is a surface plasmon arising from the bulk, free carriers in these materials. This excitation dominates the spectral weight in the bosonic function of the surface χ''(q,ω) at THz energy scales, and is the most likely origin of a quasiparticle dispersion kink observed inmore » previous photoemission experiments. Our study suggests that the spin plasmon may mix with this other surface mode, calling for a more nuanced understanding of optical experiments in which the spin plasmon is reported to play a role.« less

Luminescence of polyethylene glycol coated CdSeTe/ZnS and InP/ZnS nanoparticles in the presence of copper cations.

PubMed

Beaune, Grégory; Tamang, Sudarsan; Bernardin, Aude; Bayle-Guillemaud, Pascale; Fenel, Daphna; Schoehn, Guy; Vinet, Françoise; Reiss, Peter; Texier, Isabelle

2011-08-22

The use of click chemistry for quantum dot (QD) functionalization could be very promising for the development of bioconjugates dedicated to in vivo applications. Alkyne-azide ligation usually requires copper(I) catalysis. The luminescence response of CdSeTe/ZnS nanoparticles coated with polyethylene glycol (PEG) is studied in the presence of copper cations, and compared to that of InP/ZnS QDs coated with mercaptoundecanoic acid (MUA). The quenching mechanisms appear different. Luminescence quenching occurs without any wavelength shift in the absorption and emission spectra for the CdSeTe/ZnS/PEG nanocrystals. In this case, the presence of copper in the ZnS shell is evidenced by energy-filtered transmission electron microscopy (EF-TEM). By contrast, in the case of InP/ZnS/MUA nanocrystals, a redshift of the excitation and emission spectra, accompanied by an increase in absorbance and a decrease in photoluminescence, is observed. For CdSeTe/ZnS/PEG nanocrystals, PL quenching is enhanced for QDs with 1) smaller inorganic-core diameter, 2) thinner PEG shell, and 3) hydroxyl terminal groups. Whereas copper-induced PL quenching can be interesting for the design of sensitive cation sensors, copper-free click reactions should be used for the efficient functionalization of nanocrystals dedicated to bioapplications, in order to achieve highly luminescent QD bioconjugates. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Tunneling spectra and superconducting gaps observed by scanning tunneling microscopy near the grain boundaries of FeSe0.3Te0.7 films

NASA Astrophysics Data System (ADS)

Lin, K. C.; Li, Y. S.; Shen, Y. T.; Wu, M. K.; Chi, C. C.

2013-12-01

We used scanning tunneling microscopy (STM) to study the tunneling spectra of FeSe0.3Te0.7 films with two orientations of the ab-planes and a connection ramp between them. We discovered that by pulsed laser deposition (PLD) method, the a- and b-axis of the FeSe0.3Te0.7 film deposited on an Ar-ion-milled magnesium oxide (MgO) substrate were rotated 45° with respect to those of MgO, whereas the a- and b-axis of the film grown on a pristine MgO substrate were parallel to those of MgO. With photolithography and this technique, we can prepare FeSe0.3Te0.7 films with two orientations on the same MgO substrate so that the connection between them forms a ramp at an angle of about 25° to the substrate plane. In the planar region, for either the 0° or 45° orientation, we observed tunneling spectra with a superconducting gap of about 5 meV and 1.78 meV, respectively. However, a much larger gap at about 18 meV was observed in the ramp region. Furthermore, we observed a small zero-bias conductance peak (ZBCP) inside the large gap at T = 4.3 K. The ZBCP becomes smaller with increasing temperature and disappeared at temperature above 7 K.

Effects of hydrostatic pressure on the thermoelectric properties of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds: an ab initio study

NASA Astrophysics Data System (ADS)

Elsayed, H.; Olguín, D.; Cantarero, A.

2017-12-01

This work presents an ab initio study of the effects of hydrostatic pressure on the Seebeck coefficients and thermoelectric power factors of the ɛ-polytype of InSe, GaSe, and InGaSe2 semiconductor compounds. Our study is performed using the semi-classical Boltzmann theory and the rigid band approach. The electronic band structures of these materials are calculated using the full-potential linearized augmented plane-wave method. The obtained thermoelectric properties are discussed in terms of the results of the electronic structure calculations. As we will show, our calculated Seebeck coefficient values indicate that these materials are good alternatives to other well-studied thermoelectric systems.

Impact of the charge density wave state in the electrodynamic response of ZrTe3 -xSex : Optical evidence for a pseudogap phase

NASA Astrophysics Data System (ADS)

Chinotti, M.; Ethiraj, J.; Mirri, C.; Zhu, Xiangde; Li, Lijun; Petrovic, C.; Degiorgi, L.

2018-01-01

The emergence of superconductivity upon progressively suppressing the long-range, charge-density-wave (CDW) order characterizes the phase diagram of several materials of interest in the on-going solid-state physics research. Se-doped ZrTe3 compounds provide the most recent, suitable arena in order to investigate the interplay of otherwise competing orders in layeredlike two-dimensional systems. We present an optical study of the CDW state in ZrTe3 -xSex at selected Se dopings, based on the measurement of the reflectivity from the far-infrared up to the ultraviolet, as a function of temperature. We particularly focus our attention to the redistribution of the spectral weight, which images the impact of the CDW state within the optical conductivity across the phase diagram of the title compounds. The electrodynamic response is consistent with a scenario based on a long-range CDW condensate at low Se doping. Upon increasing the Se content, this then gives way to local, short-range order CDW segments. Our spectral weight analysis reveals the presence of a pseudogap phase, as fingerprint of the CDW precursor effects and thus shaping the charge dynamics of the title compounds in their normal state, preceding the onset of superconductivity.

High spatial resolution correlated investigation of Zn segregation to stacking faults in ZnTe/CdSe nanostructures

NASA Astrophysics Data System (ADS)

Bonef, Bastien; Grenier, Adeline; Gerard, Lionel; Jouneau, Pierre-Henri; André, Regis; Blavette, Didier; Bougerol, Catherine

2018-02-01

The correlative use of atom probe tomography (APT) and energy dispersive x-ray spectroscopy in scanning transmission electron microscopy (STEM) allows us to characterize the structure of ZnTe/CdSe superlattices at the nanometre scale. Both techniques reveal the segregation of zinc along [111] stacking faults in CdSe layers, which is interpreted as a manifestation of the Suzuki effect. Quantitative measurements reveal a zinc enrichment around 9 at. % correlated with a depletion of cadmium in the stacking faults. Raw concentration data were corrected so as to account for the limited spatial resolution of both STEM and APT techniques. A simple calculation reveals that the stacking faults are almost saturated in Zn atoms (˜66 at. % of Zn) at the expense of Cd that is depleted.

Intrinsically High Thermoelectric Performance in AgInSe2 n‐Type Diamond‐Like Compounds

PubMed Central

Qiu, Pengfei; Qin, Yuting; Zhang, Qihao; Li, Ruoxi; Song, Qingfeng; Tang, Yunshan; Bai, Shengqiang

2017-01-01

Abstract Diamond‐like compounds are a promising class of thermoelectric materials, very suitable for real applications. However, almost all high‐performance diamond‐like thermoelectric materials are p‐type semiconductors. The lack of high‐performance n‐type diamond‐like thermoelectric materials greatly restricts the fabrication of diamond‐like material‐based modules and their real applications. In this work, it is revealed that n‐type AgInSe2 diamond‐like compound has intrinsically high thermoelectric performance with a figure of merit (zT) of 1.1 at 900 K, comparable to the best p‐type diamond‐like thermoelectric materials reported before. Such high zT is mainly due to the ultralow lattice thermal conductivity, which is fundamentally limited by the low‐frequency Ag‐Se “cluster vibrations,” as confirmed by ab initio lattice dynamic calculations. Doping Cd at Ag sites significantly improves the thermoelectric performance in the low and medium temperature ranges. By using such high‐performance n‐type AgInSe2‐based compounds, the diamond‐like thermoelectric module has been fabricated for the first time. An output power of 0.06 W under a temperature difference of 520 K between the two ends of the module is obtained. This work opens a new window for the applications using the diamond‐like thermoelectric materials. PMID:29593972

Interfacial Reaction and Shear Strength of SnAgCu/Ni/Bi2Te3-Based TE Materials During Aging

NASA Astrophysics Data System (ADS)

Jing, Hongyang; Li, Yuan; Xu, Lianyong; Han, Yongdian; Lu, Guoquan; Zhang, Hao

2015-12-01

As a diffusion barrier layer, Ni is widely applied in power electronics packaging, especially in thermoelectric devices. This paper presents the variation of Ni diffusion barrier layer during aging and failure mechanisms of thermoelectric device joints. The thermoelectric joint consists of Sn96.5Ag3.0Cu0.5 (SAC305) solder and Bi2Te3-based thermoelectric materials such as Bi0.5Sb1.5Te3 and Bi1.8Sb0.2Se0.15Te2.85 during service. The result shows that with the increasing aging time, Ni layer was constantly consumed by SAC305 and Bi2Te3-based thermoelectric materials simultaneously. The reaction products are (Cu,Ni)6Sn5 and NiTe or Ni(Bi,Te), respectively. Besides, the shear strength of SAC305/Bi0.5Sb1.5Te3 joint or SAC305/Bi1.8Sb0.2Se0.15Te2.85 joint gets gradually decreased and thermoelectric conversion performance gets worse. Meantime, the different failure mechanisms are also compared between SAC305/Bi0.5Sb1.5Te3 couple joints and SAC305/Bi1.8Sb0.2Se0.15Te2.85 couple joints.

The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga{sub 2}SeTe{sub 2} semiconductor alloy

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

Abdul-Jabbar, N. M.; Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Kalkan, B.

2014-08-04

We observe that pressure-induced amorphization of Ga{sub 2}SeTe{sub 2} (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with periodic and semi-periodic two-dimensional vacancy structures become amorphous around 10–11 GPa in contrast to those with aperiodic structures, which amorphize around 7–8 GPa. The result is an instance of altering material phase-change properties via rearrangement of stoichiometric vacancies as opposed to adjusting their concentrations. Based on our experimental findings, we posit that periodic two-dimensional vacancy structures in Ga{sub 2}SeTe{sub 2} provide an energetically preferred crystal lattice that is less prone to collapse under applied pressure. This ismore » corroborated through first-principles electronic structure calculations, which demonstrate that the energy stability of III-VI structures under hydrostatic pressure is highly dependent on the configuration of intrinsic vacancies.« less

Study of Third-Order Optical Nonlinearities of Se-Sn (Bi,Te) Quaternary Chalcogenide Thin Films Using Ti: Sapphire Laser in Femtosecond Regime

NASA Astrophysics Data System (ADS)

Yadav, Preeti; Sharma, Ambika

2017-01-01

The objective of the present research work is to study the nonlinear optical properties of quaternary Se-Sn (Bi,Te) chalcogenide thin films. A Z-scan technique utilizing 800 nm femtosecond laser source has been used for the determination of the nonlinear refractive index ( n 2), two-photon absorption coefficient ( β 2) and third-order susceptibility ( χ (3)). In the measurement of n 2, an aperture is placed in the far field before the detector (closed aperture), while for the measurement of β 2, entire transmitted light is collected by the detector without an aperture (open aperture). Self-focusing has been observed in closed aperture transmission spectra. The appearance of the peak after the valley in this spectrum reflects the positive nonlinear refractive index. The calculated value of n 2 of the studied thin films varies from 1.06 × 10-12 cm2/W to 0.88 × 10-12 cm2/W. The compound-dependent behavior of n 2 is explained in this paper. We have also compared the experimental values of n 2 with the theoretically determined values, other compounds of chalcogenide glass and pure silica. The n 2 of the investigated thin films is found to be 3200 times higher than pure silica. The results of the open aperture Z-scan revealed that the value of β 2 of the studied compound is in the order of 10-8 cm/W. The behavior of two-photon absorption is described by means of the optical band gap ( E g) of the studied compound. The variation in the figure-of-merit from 0.32 to 1.4 with varying Sn content is also reported in this paper. The higher value of nonlinearity makes this material advantageous for optical fibers, waveguides and optical limiting devices.

GW study of topological insulators Bi2Se3, Bi2Te3, and Sb2Te3: Beyond the perturbative one-shot approach

NASA Astrophysics Data System (ADS)

Aguilera, Irene; Friedrich, Christoph; Bihlmayer, Gustav; Blügel, Stefan

2013-07-01

We present GW calculations of the topological insulators Bi2Se3, Bi2Te3, and Sb2Te3 within the all-electron full-potential linearized augmented-plane-wave formalism. Quasiparticle effects produce significant qualitative changes in the band structures of these materials when compared to density functional theory (DFT), especially at the Γ point, where band inversion takes place. There, the widely used perturbative one-shot GW approach can produce unphysical band dispersions, as the quasiparticle wave functions are forced to be identical to the noninteracting single-particle states. We show that a treatment beyond the perturbative approach, which incorporates the off-diagonal GW matrix elements and thus enables many-body hybridization to be effective in the quasiparticle wave functions, is crucial in these cases to describe the characteristics of the band inversion around the Γ point in an appropriate way. In addition, this beyond one-shot GW approach allows us to calculate the values of the Z2 topological invariants and compare them with those previously obtained within DFT.

Reorientation of the diagonal double-stripe spin structure at Fe 1+yTe bulk and thin-film surfaces

DOE PAGES

Hanke, Torben; Singh, Udai Raj; Cornils, Lasse; ...

2017-01-06

Here, establishing the relation between ubiquitous antiferromagnetism in the parent compounds of unconventional superconductors and their superconducting phase is important for understanding the complex physics in these materials. Going from bulk systems to thin films additionally affects their phase diagram. For Fe 1+yTe, the parent compound of Fe 1+ySe 1$-x$Tex superconductors, bulk-sensitive neutron diffraction revealed an in-plane oriented diagonal double-stripe antiferromagnetic spin structure. Here we show by spin-resolved scanning tunnelling microscopy that the spin direction at the surfaces of bulk Fe 1+yTe and thin films grown on the topological insulator Bi 2Te 3 is canted out of the high-symmetry directionsmore » of the surface unit cell resulting in a perpendicular spin component, keeping the diagonal double-stripe order. As the magnetism of the Fe d-orbitals is intertwined with the superconducting pairing in Fe-based materials, our results imply that the superconducting properties at the surface of the related superconducting compounds might be different from the bulk.« less

Reorientation of the diagonal double-stripe spin structure at Fe 1+yTe bulk and thin-film surfaces

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

Hanke, Torben; Singh, Udai Raj; Cornils, Lasse

Here, establishing the relation between ubiquitous antiferromagnetism in the parent compounds of unconventional superconductors and their superconducting phase is important for understanding the complex physics in these materials. Going from bulk systems to thin films additionally affects their phase diagram. For Fe 1+yTe, the parent compound of Fe 1+ySe 1$-x$Tex superconductors, bulk-sensitive neutron diffraction revealed an in-plane oriented diagonal double-stripe antiferromagnetic spin structure. Here we show by spin-resolved scanning tunnelling microscopy that the spin direction at the surfaces of bulk Fe 1+yTe and thin films grown on the topological insulator Bi 2Te 3 is canted out of the high-symmetry directionsmore » of the surface unit cell resulting in a perpendicular spin component, keeping the diagonal double-stripe order. As the magnetism of the Fe d-orbitals is intertwined with the superconducting pairing in Fe-based materials, our results imply that the superconducting properties at the surface of the related superconducting compounds might be different from the bulk.« less

Effect of annealing on the optical properties of amorphous Se79Te10Sb4Bi7 thin films

NASA Astrophysics Data System (ADS)

Nyakotyo, H.; Sathiaraj, T. S.; Muchuweni, E.

2017-07-01

Thin films of Se79Te10Sb4Bi7, were prepared by Electron beam deposition technique. The structure of the as-prepared and annealed films has been studied by X-ray diffraction and the surface morphology by the scanning electron microscope (SEM). These studies show that there is a gradual change in structure and the formation of some polycrystalline structures in the amorphous phases is observed when the Se79Te10Sb4Bi7 film is annealed in the temperature range of 333-393 K. The optical transmission of these films has been studied as a function of photon wavelength in the range 300-2500 nm. It has been found that the optical band gap Egopt decreased with increasing annealing temperature in the range 333-393 K. The Urbach energy (Eu), optical conductivity (σopt), imaginary (εi), and real (εr) parts of the complex dielectric constant (ε) and lattice dielectric constant (εL) were also determined. The changes noticed in optical parameters with increasing annealing temperature were explained on the basis of structural relaxation as well as change in defect states and density of localized states due to amorphous-crystalline transformation.

Electronic structure and x-ray magnetic circular dichroism in Mn-doped topological insulators Bi2Se3 and Bi2Te3

NASA Astrophysics Data System (ADS)

Antonov, V. N.; Bekenov, L. V.; Uba, S.; Ernst, A.

2017-12-01

We studied the structural, electronic, and magnetic properties of Mn-doped topological insulators Bi2Se3 and Bi2Te3 within the density-functional theory (DFT) using the generalized gradient approximation (GGA) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism at the Mn K and L2 ,3 edges were investigated theoretically from first principles. The calculated results are in good agreement with experimental data. The complex fine structure of the Mn L2 ,3 XAS in Mn-doped Bi2Se3 and Bi2Te3 was found to be not compatible with a pure Mn3 + valency state. Its interpretation demands mixed valent states. The theoretically calculated x-ray emission spectra at the Mn K and L2 ,3 edges are also presented and analyzed.

Electronic, optical properties and chemical bonding in six novel 1111-like chalcogenide fluorides AMChF (A=Sr, Ba; M=Cu, Ag; and Ch=S, Se, Te) from first principles calculations

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

Bannikov, V.V.; Shein, I.R.; Ivanovskii, A.L., E-mail: ivanovskii@ihim.uran.ru

2012-12-15

Employing first-principles band structure calculations, we have examined the electronic, optical properties and the peculiarities of the chemical bonding for six newly synthesized layered quaternary 1111-like chalcogenide fluorides SrAgSF, SrAgSeF, SrAgTeF, BaAgSF, BaAgSeF, and SrCuTeF, which are discussed in comparison with some isostructural 1111-like chalcogenide oxides. We found that all of the studied phases AMChF (A=Sr, Ba; M=Cu, Ag; and Ch=S, Se, Te) are semiconductors for which the fitted 'experimental' gaps lie in the interval from 2.23 eV (for SrAgSeF) to 3.07 eV (for SrCuTeF). The near-Fermi states of AMChF are formed exclusively by the valence orbitals of the atomsmore » from the blocks (MCh); thus, these phases belong to the layered materials with 'natural multiple quantum wells'. The bonding in these new AMChF phases is described as a high-anisotropic mixture of ionic and covalent contributions, where ionic M-Ch bonds together with covalent M-Ch and Ch-Ch bonds take place inside blocks (MCh), while inside blocks (AF) and between the adjacent blocks (MCh)/(AF) mainly ionic bonds emerge. - Graphical Abstract: Isoelectronic surface for SrAgSeF and atomic-resolved densities of states for SrAgTeF, and SrCuTeF. Highlights: Black-Right-Pointing-Pointer Very recently six new layered 1111-like chalcogenide fluorides AMChF were synthesized. Black-Right-Pointing-Pointer Electronic, optical properties for AMChF phases were examined from first principles. Black-Right-Pointing-Pointer All these materials are characterized as non-magnetic semiconductors. Black-Right-Pointing-Pointer Bonding is highly anisotropic and includes ionic and covalent contributions. Black-Right-Pointing-Pointer Introduction of magnetic ions in AMChF is proposed for search of novel magnetic materials.« less

Cross-Plane Seebeck Coefficient Measurement of Misfit Layered Compounds (SnSe)n(TiSe2)n (n = 1,3,4,5).

PubMed

Li, Zhen; Bauers, Sage R; Poudel, Nirakar; Hamann, Danielle; Wang, Xiaoming; Choi, David S; Esfarjani, Keivan; Shi, Li; Johnson, David C; Cronin, Stephen B

2017-03-08

We report cross-plane thermoelectric measurements of misfit layered compounds (SnSe) n (TiSe 2 ) n (n = 1,3,4,5), approximately 50 nm thick. Metal resistance thermometers are fabricated on the top and bottom of the (SnSe) n (TiSe 2 ) n material to measure the temperature difference and heat transport through the material directly. By varying the number of layers in a supercell, n, we vary the interface density while maintaining a constant global stoichiometry. The Seebeck coefficient measured across the (SnSe) n (TiSe 2 ) n samples was found to depend strongly on the number of layers in the supercell (n). When n decreases from 5 to 1, the cross-plane Seebeck coefficient decreases from -31 to -2.5 μV/K, while the cross-plane effective thermal conductivity decreases by a factor of 2, due to increased interfacial phonon scattering. The cross-plane Seebeck coefficients of the (SnSe) n (TiSe 2 ) n are very different from the in-plane Seebeck coefficients, which are higher in magnitude and less sensitive to the number of layers in a supercell, n. We believe this difference is due to the different carrier types in the n-SnSe and p-TiSe 2 layers and the effect of tunneling on the cross-plane transport.

Influence of Doping and Nanostructuration on n-Type Bi2(Te0.8Se0.2)3 Alloys Synthesized by Arc Melting

NASA Astrophysics Data System (ADS)

Gharsallah, Mouna; Serrano-Sanchez, Federico; Nemes, Norbert M.; Martinez, Jose Luis; Alonso, Jose Antonio

2017-01-01

In competitive thermoelectric devices for energy conversion and generation, high-efficiency materials of both n-type and p-type are required. For this, Bi2Te3-based alloys have the best thermoelectric properties in room temperature applications. Partial replacement of tellurium by selenium is expected to introduce new donor states in the band gap, which would alter electrical conductivity and thermopower. We report on the preparation of n-type Bi2(Te1-xSex)3 solid solutions by a straightforward arc-melting technique, yielding nanostructured polycrystalline pellets. X-ray and neutron powder diffraction was used to assess Se inclusion, also indicating that the interactions between quintuple layers constituting this material are weakened upon Se doping, while the covalency of intralayer bonds is augmented. Moreover, scanning electron microscopy shows large surfaces perpendicular to the c crystallographic axis assembled as stacked sheets. Grain boundaries related to this 2D nanostructuration affect the thermal conductivity reducing it below 0.8 Wm-1K-1 at room temperature. Furthermore, Se doping increases the absolute Seebeck coefficient up to -140 μV K-1 at 400 K, which is also beneficial for improved thermoelectric efficiency.

The structure of {sup 117}Te and {sup 118}Te and collectivity in {sup 118}Te

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

Duyar, C.; Draper, J.E.; Rubel, E.C.

1993-10-01

The reactions {sup 82}Se({sup 40}Ar,5n) and {sup 76}Ge({sup 48}Ca, 6 n) (beam energies 180MeV and 190MeV, respectively) were used to populate high spins states of {sup 117}Te and {sup 118}Te, respectively. {gamma} - {gamma} coincidences, E{sub gamma}, and coincidence I{sub gamma} have been measured. Angular correlation/distribution analysis has been made. {sup 117}Te has been extended to spin {approximately} 51/2. Our results do not support the two isolated bands found by Sharma et al. {sup 118}Te has been also extended to spin {approximately}22. A rotational band was found in {sup 118}Te with an average J {approximately}42h{sup 2}/MeV, corresponding to a {Beta}more » {approximately} 0.2.« less

Switching phenomenon in a Se{70}Te{30-x}Cd{x} films

NASA Astrophysics Data System (ADS)

Afifi, M. A.; Bekheet, A. E.; Hegab, N. A.; Wahab, L. A.; Shehata, H. A.

2007-11-01

Amorphous Se{70}Te{30-x}Cd{x} (x = 0, 10) are obtained by thermal evaporation under vacuum of bulk materials on pyrographite and glass substrates. The I-V characteristic curves for the two film compositions are typical for a memory switch. They exhibited a transition from an ohmic region in the lower field followed by non-ohmic region in the high field region in the preswitching region, which has been explained by the Poole-Frenkel effect. The temperature dependence of current in the ohmic region is found to be of thermally activated process. The mean value of the threshold voltage bar{V}th increases linearly with increasing film thickness in the thickness range (100 491 nm), while it decreases exponentially with increasing temperature in the temperature range (293 343 K) for both compositions. The results are explained in accordance with the electrothermal model for the switching process. The effect of Cd on these parameters is also investigated.

Cs0.9Ni3.1Se3: A Ni-Based Quasi-One-Dimensional Conductor with Spin-Glass Behavior.

PubMed

Sun, Fan; Guo, Zhongnan; Liu, Ning; Wu, Dan; Lin, Jiawei; Cheng, Erjian; Ying, Tianping; Li, Shiyan; Yuan, Wenxia

2018-04-02

In this work, we report the discovery of a new Ni-based quasi-one-dimensional selenide: Cs 0.9 Ni 3.1 Se 3 . This compound adopts the TlFe 3 Te 3 -type structure with space group P6 3 / m, which consists of infinite [Ni 3 Se 3 ] chains with face-sharing Ni 6 octahedra along the c direction. The lattice parameters are calculated as a = 9.26301(4) Å and c = 4.34272(2) Å, with the Ni-Ni distance in the ab plane as 2.582(3) Å, suggesting the formation of a Ni-Ni metallic bond in this compound. Interestingly, it has been found that Cs 0.9 Ni 3.1 Se 3 is nonstoichiometric, which is different from the other TlFe 3 Te 3 -type phases reported so far. Structure refinement shows that the extra Ni atom in the structure may occupy the 2c site, together with Cs atoms. Cs 0.9 Ni 3.1 Se 3 shows metallic behavior with monotonously decreased resistivity with temperatures from 300 to 0.5 K. Measurements on the magnetic susceptibility display a spin-glass state below 7 K. The specific heat curve gives a Sommerfeld coefficient of 14.6 mJ·K -2 ·mol -1 and a Debye temperature of 143.6 K. The discovery of this new compound enriches the diversity of low-dimensional materials in a transition-metal-based family and also sheds light on the structure-property relationship of this system.

Ground-based research of crystal growth of II-VI compound semiconductors by physical vapor transport

NASA Technical Reports Server (NTRS)

Volz, M. P.; Gillies, D. C.; Szofran, F. R.; Lehoczky, S. L.; Su, Ching-Hua; Sha, Yi-Gao; Zhou, W.; Dudley, M.; Liu, Hao-Chieh; Brebrick, R. F.;

CdTe and CdSe Quantum Dots Cytotoxicity: A Comparative Study on Microorganisms

PubMed Central

Gomes, Suzete A.O.; Vieira, Cecilia Stahl; Almeida, Diogo B.; Santos-Mallet, Jacenir R.; Menna-Barreto, Rubem F. S.; Cesar, Carlos L.; Feder, Denise

2011-01-01

Quantum dots (QDs) are colloidal semiconductor nanocrystals of a few nanometers in diameter, being their size and shape controlled during the synthesis. They are synthesized from atoms of group II–VI or III–V of the periodic table, such as cadmium telluride (CdTe) or cadmium selenium (CdSe) forming nanoparticles with fluorescent characteristics superior to current fluorophores. The excellent optical characteristics of quantum dots make them applied widely in the field of life sciences. Cellular uptake of QDs, location and translocation as well as any biological consequence, such as cytotoxicity, stimulated a lot of scientific research in this area. Several studies pointed to the cytotoxic effect against micoorganisms. In this mini-review, we overviewed the synthesis and optical properties of QDs, and its advantages and bioapplications in the studies about microorganisms such as protozoa, bacteria, fungi and virus. PMID:22247686

Magnetic anisotropy in the frustrated spin-chain compound β - TeVO 4

DOE PAGES

Weickert, F.; Harrison, Neil; Scott, Brian Lindley; ...

2016-08-01

In this paper, isotropic and anisotropic magnetic behavior of the frustrated spin-chain compound β-TeVO 4 is reported. Three magnetic transitions observed in zero magnetic field are tracked in fields applied along different crystallographic directions using magnetization, heat capacity, and magnetostriction measurements. Qualitatively different temperature-field diagrams are obtained below 10 T for the field applied along a or b and along c, respectively. In contrast, a nearly isotropic high-field phase emerges above 18 T and persists up to the saturation that occurs around 22.5 T. Upon cooling in low fields, the transitions at T N1 and T N2 toward the spin-density-wavemore » and stripe phases are of the second order, whereas the transition at T N3 toward the helical state is of the first order and entails a lattice component. Our microscopic analysis identifies frustrated J 1-J 2 spin chains with a sizable antiferromagnetic interchain coupling in the bc plane and ferromagnetic couplings along the a direction. The competition between these ferromagnetic interchain couplings and the helical order within the chain underlies the incommensurate order along the a direction, as observed experimentally. While a helical state is triggered by the competition between J 1 and J 2 within the chain, the plane of the helix is not uniquely defined because of competing magnetic anisotropies. Finally, using high-resolution synchrotron diffraction and 125Te nuclear magnetic resonance, we also demonstrate that the crystal structure of β-TeVO 4 does not change down to 10 K, and the orbital state of V 4+ is preserved.« less

Topological Insulators in Ternary Compounds with a Honeycomb Lattice

NASA Astrophysics Data System (ADS)

Zhang, Hai-Jun; Chadov, Stanislav; Müchler, Lukas; Yan, Binghai; Qi, Xiao-Liang; Kübler, Jürgen; Zhang, Shou-Cheng; Felser, Claudia

2011-04-01

We investigate a new class of ternary materials such as LiAuSe and KHgSb with a honeycomb structure in Au-Se and Hg-Sb layers. We demonstrate the band inversion in these materials similar to HgTe, which is a strong precondition for existence of the topological surface states. In contrast with graphene, these materials exhibit strong spin-orbit coupling and a small direct band gap at the Γ point. Since these materials are centrosymmetric, it is straightforward to determine the parity of their wave functions, and hence their topological character. Surprisingly, the compound with strong spin-orbit coupling (KHgSb) is trivial, whereas LiAuSe is found to be a topological insulator.

Doping effects of Co and Cu on superconductivity and magnetism in Fe1+yTe0.6Se0.4 single crystals.

PubMed

Zhang, Z T; Yang, Z R; Li, L; Ling, L S; Zhang, C J; Pi, L; Zhang, Y H

2013-01-23

We report on the investigation of Co and Cu substitution effects on superconductivity and magnetism in Fe(1+y)Te(0.6)Se(0.4) single crystals. The parent Fe(1.01)Te(0.59)Se(0.41) shows a nodeless bulk superconductivity as revealed in heat capacity measurement, which is gradually suppressed by either Co or Cu doping. It is found that the Co or Cu doping mainly serves as scatterers rather than charge carrier doping, which is in agreement with the DFT calculation (2010 Phys. Rev. Lett. 105 157004) reported by Wadati et al. In comparison with Cu doping, Co doping shows a stronger influence on magnetism while a less evident suppression effect on superconductivity. Upon substitution of Co for Fe, a Schottky heat capacity anomaly develops gradually at low temperatures, implying the existence of a paramagnetic moment in the Co-doped samples. In contrast, Cu doping may mainly serve as non-magnetic scatterers, where no Schottky anomaly is observed.

FilTer BaSe: A web accessible chemical database for small compound libraries.

PubMed

Kolte, Baban S; Londhe, Sanjay R; Solanki, Bhushan R; Gacche, Rajesh N; Meshram, Rohan J

2018-03-01

Finding novel chemical agents for targeting disease associated drug targets often requires screening of large number of new chemical libraries. In silico methods are generally implemented at initial stages for virtual screening. Filtering of such compound libraries on physicochemical and substructure ground is done to ensure elimination of compounds with undesired chemical properties. Filtering procedure, is redundant, time consuming and requires efficient bioinformatics/computer manpower along with high end software involving huge capital investment that forms a major obstacle in drug discovery projects in academic setup. We present an open source resource, FilTer BaSe- a chemoinformatics platform (http://bioinfo.net.in/filterbase/) that host fully filtered, ready to use compound libraries with workable size. The resource also hosts a database that enables efficient searching the chemical space of around 348,000 compounds on the basis of physicochemical and substructure properties. Ready to use compound libraries and database presented here is expected to aid a helping hand for new drug developers and medicinal chemists. Copyright © 2017 Elsevier Inc. All rights reserved.

Effect of Isovalent Substitution on the Electronic Structure and Thermoelectric Properties of the Solid Solution α-As2Te3-xSex (0 ≤ x ≤ 1.5).

PubMed

Vaney, Jean-Baptiste; Delaizir, Gaëlle; Wiendlocha, Bartlomiej; Tobola, Janusz; Alleno, Eric; Piarristeguy, Andrea; Gonçalves, Antonio Pereira; Gendarme, Christine; Malaman, Bernard; Dauscher, Anne; Candolfi, Christophe; Lenoir, Bertrand

2017-02-20

We report on the influence of Se substitution on the electronic band structure and thermoelectric properties (5-523 K) of the solid solution α-As 2 Te 3-x Se x (0 ≤ x ≤ 1.5). All of the polycrystalline compounds α-As 2 Te 3-x Se x crystallize isostructurally in the monoclinic space group C2/m (No. 12, Z = 4). Regardless of the Se content, chemical analyses performed by scanning electron microscopy and electron probe microanalysis indicate a good chemical homogeneity, with only minute amounts of secondary phases for some compositions. In agreement with electronic band structure calculations, neutron powder diffraction suggests that Se does not randomly substitute for Te but exhibits a site preference. These theoretical calculations further predict a monotonic increase in the band gap energy with the Se content, which is confirmed experimentally by absorption spectroscopy measurements. Increasing x up to x = 1.5 leaves unchanged both the p-type character and semiconducting nature of α-As 2 Te 3 . The electrical resistivity and thermopower gradually increase with x as a result of the progressive increase in the band gap energy. Despite the fact that α-As 2 Te 3 exhibits very low lattice thermal conductivity κ L , the substitution of Se for Te further lowers κ L to 0.35 W m -1 K -1 at 300 K. The compositional dependence of the lattice thermal conductivity closely follows classical models of phonon alloy scattering, indicating that this decrease is due to enhanced point-defect scattering.

Asymmetry and Electronegativity in the Electron Capture Activation of the Se-Se Bond: σ*(Se-Se) vs σ*(Se-X).

PubMed

Gámez, José A; Yáñez, Manuel

2010-10-12

The effects of electron capture on the structure of XSeSeX' diselenide derivatives in which the substituents attached to the selenium atoms have different electronegativities have been investigated at different levels of theory, namely, DFT, MP2, CCSD, G2, and CASSCF/CASPT2. An analysis of the bonding changes upon electron attachment shows that when the diselenides bear low-electronegativity substituents, the Se-Se bond becomes activated upon electron capture, as previous studies have shown. However, this is no longer the case for very electronegative substituents, where this bond remains practically unaltered and is the Se-X bond the one which becomes strongly activated through a preferential population of the σ*(Se-X) antibonding orbital rather than the σ*(Se-Se) one. When this is the case, several anionic species are also encountered, namely, stretched, bent, and book structures. The present findings are similar to those obtained for a series of analogous disulfide compounds, which points out that these results are not unique and could be extrapolated to a wider range of compounds than the ones covered here. The Se-Se (Se-X) linkage in CH3SeSeOH, CH3SeSeF, FSeSeOH, and FSeSeF bears some of the characteristics of the so-called charge-shift bonds, with a clear charge fluctuation between both selenium atoms. This is more evident in their anions where the bonding reflects the important contribution of the ionic resonant forms Se-Se(-) ↔ (-)Se-Se vs the covalent component Se∴Se. This resonance changes with the nature of the substituents but also depends on the asymmetry of the substitution.

Synthesis and characterization of colloidal ZnTe nanocrystals and ZnTe/ZnSe quantum dots

NASA Astrophysics Data System (ADS)

Gonzales, Gavin P.; Alas, Gema; Senthil, Arjun; Withers, Nathan J.; Minetos, Christina; Sandoval, Alejandro; Ivanov, Sergei A.; Smolyakov, Gennady A.; Huber, Dale L.; Osiński, Marek

2018-02-01

Quantum dots (QDs) emitting in the visible are of interest for many biomedical applications, including bioimaging, biosensing, drug targeting, and photodynamic therapy. However, a significant limitation is that QDs typically contain cadmium, which makes prospects for their FDA approval very unlikely. Previous work has focused on InP and ZnO as alternative semiconductor materials for QDs. However, these nanoparticles have also been shown to be cytotoxic. High-efficiency luminescent ZnTe-based QDs could be a reasonable alternative to Cd-containing QDs. In this paper, we present preliminary results of our recent studies of ZnTe-based QDs, including their synthesis, structural characterization, and optical properties.

Ultraviolet and visible range plasmonics in the topological insulator Bi1.5Sb0.5Te1.8Se1.2

NASA Astrophysics Data System (ADS)

Ou, Jun-Yu; So, Jin-Kyu; Adamo, Giorgio; Sulaev, Azat; Wang, Lan; Zheludev, Nikolay I.

2014-10-01

The development of metamaterials, data processing circuits and sensors for the visible and ultraviolet parts of the spectrum is hampered by the lack of low-loss media supporting plasmonic excitations. This has driven the intense search for plasmonic materials beyond noble metals. Here we show that the semiconductor Bi1.5Sb0.5Te1.8Se1.2, also known as a topological insulator, is also a good plasmonic material in the blue-ultraviolet range, in addition to the already-investigated terahertz frequency range. Metamaterials fabricated from Bi1.5Sb0.5Te1.8Se1.2 show plasmonic resonances from 350 to 550 nm, while surface gratings exhibit cathodoluminescent peaks from 230 to 1,050 nm. The observed plasmonic response is attributed to the combination of bulk charge carriers from interband transitions and surface charge carriers of the topological insulator. The importance of our result is in the identification of new mechanisms of negative permittivity in semiconductors where visible range plasmonics can be directly integrated with electronics.

Electronic transport properties of intermediately coupled superconductors: PdTe2 and Cu0.04PdTe2

NASA Astrophysics Data System (ADS)

Hooda, M. K.; Yadav, C. S.

2018-01-01

We have investigated the electrical resistivity (1.8-480 K), Seebeck coefficient (2.5-300 K) and thermal conductivity (2.5-300 K) of PdTe2 and 4% Cu intercalated PdTe2 compounds. The electrical resistivity for the compounds shows a Bloch-Gruneisen-type linear temperature (T) dependence for 100 \\text{K}, and Fermi liquid behavior (ρ (T) \\propto T2) for T<50 \\text{K} . Seebeck coefficient data exhibit a strong competition between Normal (N) and Umklapp (U) scattering processes at low T. The low-T, thermal conductivity (κ) of the compounds is strongly dominated by the electronic contribution, and exhibits a rare linear T-dependence below 10 K. However, high-T, κ (T) shows the usual 1/T -dependence, dominated by the U-scattering process. The electron-phonon coupling parameters, estimated from the low-T, specific-heat data and first-principle electronic structure calculations suggest that PdTe2 and Cu0.04PdTe2 are intermediately coupled superconductors.

Electronic structure, transport, and phonons of SrAg ChF ( Ch = S,Se,Te): Bulk superlattice thermoelectrics

DOE PAGES

Gudelli, Vijay Kumar; Kanchana, V.; Vaitheeswaran, G.; ...

2015-07-15

Here, we report calculations of the electronic structure, vibrational properties, and transport for the p-type semiconductors, SrAg ChF ( Ch = S, Se, and Te). We find soft phonons with low frequency optical branches intersecting the acoustic modes below 50 cm –1, indicative of a material with low thermal conductivity. The bands at and near the valence-band maxima are highly two-dimensional, which leads to high thermopowers even at high carrier concentrations, which is a combination that suggests good thermoelectric performance. These materials may be regarded as bulk realizations of superlattice thermoelectrics.

Work function of bulk-insulating topological insulator Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y}

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

Takane, Daichi; Souma, Seigo; Center for Spintronics Research Network, Tohoku University, Sendai 980-8577

Recent discovery of bulk insulating topological insulator (TI) Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} paved a pathway toward practical device application of TIs. For realizing TI-based devices, it is necessary to contact TIs with a metal. Since the band-bending at the interface dominates the character of devices, knowledge of TIs' work function is of essential importance. We have determined the compositional dependence of the work function in Bi{sub 2–x}Sb{sub x}Te{sub 3–y}Se{sub y} by high-resolution photoemission spectroscopy. The obtained work-function values (4.95–5.20 eV) track the energy shift of the surface chemical potential seen by angle-resolved photoemission spectroscopy. The present result serves as amore » useful guide for developing TI-based electronic devices.« less

Fusarium oxysporum induces the production of proteins and volatile organic compounds by Trichoderma harzianum T-E5.

PubMed

Zhang, Fengge; Yang, Xingming; Ran, Wei; Shen, Qirong

2014-10-01

Trichoderma species have been used widely as biocontrol agents for the suppression of soil-borne pathogens. However, some antagonistic mechanisms of Trichoderma are not well characterized. In this study, a series of laboratory experiments were designed to characterize the importance of mycoparasitism, exoenzymes, and volatile organic compounds (VOCs) by Trichoderma harzianum T-E5 for the control of Fusarium oxysporum f. sp. cucumerinum (FOC). We further tested whether these mechanisms were inducible and upregulated in presence of FOC. The results were as follows: T-E5 heavily parasitized FOC by coiling and twisting the entire mycelium of the pathogen in dual cultures. T-E5 growing medium conditioned with deactivated FOC (T2) showed more proteins and higher cell wall-degrading enzyme activities than T1, suggesting that FOC could induce the upregulation of exoenzymes. The presence of deactivated FOC (T2') also resulted in the upregulation of VOCs that five and eight different types T-E5-derived VOCs were identified from T1' and T2', respectively. Further, the excreted VOCs in T2' showed significantly higher antifungal activities against FOC than T1'. In conclusion, mycoparasitism of T-E5 against FOC involved mycelium contact and the production of complex extracellular substances. Together, these data provide clues to help further clarify the interactions between these fungi. © 2014 Federation of European Microbiological Societies. Published by John Wiley & Sons Ltd. All rights reserved.

The Shubnikov-de Haas effect and thermoelectric properties of Tl-doped Sb{sub 2}Te{sub 3} and Bi{sub 2}Se{sub 3}

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

Kulbachinskii, V. A., E-mail: kulb@mig.phys.msu.ru; Kudryashov, A. A.; Kytin, V. G.

2015-06-15

The influence of doping with Tl on the Shubnikov-de Haas effect at T = 4.2 K in magnetic fields up to 38 T in p-Sb{sub 2−x}Tl{sub x}Te{sub 3} (x = 0, 0.005, 0.015, and 0.05) and n-Bi{sub 2−x}Tl{sub x}Se{sub 3} (x = 0, 0.01, 0.02, 0.04, and 0.06) single crystals is investigated. Extreme cross-sections of the Fermi surface in both materials decrease upon doping with Tl: the hole concentration decreases in Sb{sub 2−x}Tl{sub x}Te{sub 3} due to the donor effect of Tl and the electron concentration in n-Bi{sub 2−x}Tl{sub x}Se{sub 3} decreases due to the acceptor effect of Tl. Themore » temperature dependences of the Seebeck coefficient, electrical conductivity, thermal conductivity, and dimensionless thermoelectric figure of merit in a temperature range of 77–300 K are measured. The thermal conductivity and electrical conductivity decrease upon doping with Tl both in p-Sb{sub 2−x}Tl{sub x}Te{sub 3} and in n-Bi{sub 2−x}Tl{sub x}Se{sub 3}. The Seebeck coefficient increases in all compositions upon an increase in doping over the entire measured temperature range. The thermoelectric figure of merit increases upon doping with Tl.« less

Synthesis and characteristics of PbTe1-xSex thin films formed via electrodeposition

NASA Astrophysics Data System (ADS)

Bae, Sangwoo; Lee, Sangwon; Sohn, Ho-Sang; Lee, Ho Seong

2017-09-01

PbTe1-xSex films were grown using electrodeposition and their microstructural and electrical properties were investigated. The Se content incorporated in the PbTe1-xSex films increased with the Se content in the electrolyte. X-ray diffraction peaks of the PbTe1-xSex films shifted to higher angles according to Vegard's law. For the sample with a small Se content, the PbTe1-xSex films showed a characteristic feather-like dendrite, while PbTe1-xSex films with a higher Se content showed faceted particles. Transmission electron microscopy results showed that the feather-like dendritic PbTe1-xSex grew like a single crystal and a growing twinning was formed in some dendrites. With an increase in the Se content in the PbTe1-xSex thin films, the carrier concentrations increased but the mobility reduced. Electrical conductivity of the PbTe1-xSex thin films increased and then slightly decreased with increasing Se content.

Localized Vibrations of Bi Bilayer Leading to Ultralow Lattice Thermal Conductivity and High Thermoelectric Performance in Weak Topological Insulator n-Type BiSe.

PubMed

Samanta, Manisha; Pal, Koushik; Pal, Provas; Waghmare, Umesh V; Biswas, Kanishka

2018-05-02

Realization of high thermoelectric performance in n-type semiconductors is of imperative need on account of the dearth of efficient n-type thermoelectric materials compared to the p-type counterpart. Moreover, development of efficient thermoelectric materials based on Te-free compounds is desirable because of the scarcity of Te in the Earth's crust. Herein, we report the intrinsic ultralow thermal conductivity and high thermoelectric performance near room temperature in n-type BiSe, a Te-free solid, which recently has emerged as a weak topological insulator. BiSe possesses a layered structure consisting of a bismuth bilayer (Bi 2 ) sandwiched between two Bi 2 Se 3 quintuple layers [Se-Bi-Se-Bi-Se], resembling natural heterostructure. High thermoelectric performance of BiSe is realized through the ultralow lattice thermal conductivity (κ lat of ∼0.6 W/mK at 300 K), which is significantly lower than that of Bi 2 Se 3 (κ lat of ∼1.8 W/mK at 300 K), although both of them belong to the same layered homologous family (Bi 2 ) m (Bi 2 Se 3 ) n . Phonon dispersion calculated from first-principles and the experimental low-temperature specific heat data indicate that soft localized vibrations of bismuth bilayer in BiSe are responsible for its ultralow κ lat . These low energy optical phonon branches couple strongly with the heat carrying acoustic phonons, and consequently suppress the phonon mean free path leading to low κ lat . Further optimization of thermoelectric properties of BiSe through Sb substitution and spark plasma sintering (SPS) results in high ZT ∼ 0.8 at 425 K along the pressing direction, which is indeed remarkable among Te-free n-type thermoelectric materials near room temperature.

Integration of CdSe/CdSexTe1-x Type-II Heterojunction Nanorods into Hierarchically Porous TiO2 Electrode for Efficient Solar Energy Conversion.

PubMed

Lee, Sangheon; Flanagan, Joseph C; Kang, Joonhyeon; Kim, Jinhyun; Shim, Moonsub; Park, Byungwoo

2015-12-07

Semiconductor sensitized solar cells, a promising candidate for next-generation photovoltaics, have seen notable progress using 0-D quantum dots as light harvesting materials. Integration of higher-dimensional nanostructures and their multi-composition variants into sensitized solar cells is, however, still not fully investigated despite their unique features potentially beneficial for improving performance. Herein, CdSe/CdSe(x)Te(1-x) type-II heterojunction nanorods are utilized as novel light harvesters for sensitized solar cells for the first time. The CdSe/CdSe(x)Te(1-x) heterojunction-nanorod sensitized solar cell exhibits ~33% improvement in the power conversion efficiency compared to its single-component counterpart, resulting from superior optoelectronic properties of the type-II heterostructure and 1-octanethiol ligands aiding facile electron extraction at the heterojunction nanorod-TiO(2) interface. Additional ~31% enhancement in power conversion efficiency is achieved by introducing percolation channels of large pores in the mesoporous TiO(2) electrode, which allow 1-D sensitizers to infiltrate the entire depth of electrode. These strategies combined together lead to 3.02% power conversion efficiency, which is one of the highest values among sensitized solar cells utilizing 1-D nanostructures as sensitizer materials.

Low temperature thermoelectric properties of Bi2-xSbxTeSe2 crystals near the n-p crossover

NASA Astrophysics Data System (ADS)

Fuccillo, M. K.; Charles, M. E.; Hor, Y. S.; Jia, Shuang; Cava, R. J.

2012-07-01

Seebeck coefficients, electrical resistivities, thermal conductivities and figure of merit ZT of Bi2-xSbxTeSe2 crystals (x=0.8, 0.9, 1.0, 1.1, and 1.2) measured along the hexagonal basal plane are presented. The crystals gradually change from n- to p-type with increasing Sb content, with the crossover lying in the region between x=1.0 and 1.1. The crossover is accounted for by a simple (p-n) electron-hole compensation model, as supported by carrier concentrations determined from Hall measurements. ZT was found to be maximized near the crossover on the p-type side, with the high electrical resistance of the Se-rich crystals apparently the limiting factor in the performance. These materials may serve as a basis for future nanostructuring or doping studies.

Electron Transport and Minority Carrier Lifetime in HgCdSe 2013 2-6 Workshop

DTIC Science & Technology

2014-03-11

FOR PUBLIC RELEASE Alternative IR Material 0.54 0.56 0.58 0.60 0.62 0.64 -0.5 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 HgSe HgTe MgS ZnS MgTe CdS...CdSe ZnSe ZnTe CdTe AlP GaP AlSb InP Ge Si GaSb InSbInAs AlAs GaAs MgSe Ba nd ga p En er gy (e V) Lattice Constant (nm) • HgCdSe is being

Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe1 +yTe1 -xSex

NASA Astrophysics Data System (ADS)

Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; Wang, Jun; Berlijn, Tom; Maier, Thomas A.; Kalinin, Sergei V.; Sales, Brian C.; Pan, Minghu

2015-02-01

Recent investigations have shown that Fe1 +yTe1 -xSex can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon, we performed a combination of magnetic susceptibility, specific heat, and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe1 +yTe1 -xSex treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTem (m ≥1 ) complexes. We show that the remaining FeTem complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.

Nuclear medicine technology progress report for quarter ending June 30, 1978. ABELLED COMPOUNDS; PATIENTS; POSITRON SOURCES; CARBON 11; ISOMERIC NUCLEI; LABELLED COMPOUNDS; BIOLOGICAL LOCALIZATION; CHEMICAL PREPARATION; ISOMERIC NUCLEI; LABELLED COMPOUNDS; RATS; CHEMICAL PREPARATION; LABELLED COMPOUNDS; RATS; TISSUE DISTRIBUTION

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

Knapp, Jr., F. F.

Progress is reported for the applications of /sup 11/C, /sup 195m/Pt, /sup 75/Se, and /sup 123m/Te. Additional human clinical trials with /sup 11/C-DL-tryptophan and /sup 11/C-l-aminocyclobutane carboxylic acid have been completed. The modified Buecherer-Strecker amino acid synthesis has been used to prepare /sup 11/C-DL-phenylglycine and /sup 11/C-DL-phenylalanine. These two new /sup 11/C-labeled amino acids will be studied as potential tumor localizing agents. Preliminary studies concerning the comparative organ and subcellular distribution of /sup 195m/Pt-labeled cis- and trans- dichlorodiamineplatinum(II) have been completed. The results of in vivo studies have shown the cis isomer to bind to nuclear DNA to a significantlymore » greater extent than the trans isomer. A series of /sup 123m/Te-labeled long-chain fatty acid analogs have been prepared as isosteres of unsaturated fatty acids. Several of these compounds show pronounced heart uptake in rats and may represent a new class of potential myocardial imaging agents. Studies on the preparation and tissue distribution of /sup 75/Se-..beta..-aminoethyl selenosulfate continue.« less

Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe 1-xSe x

DOE PAGES

Xu, Zhijun; Xu, Guangyong; Schneeloch, J. A.; ...

2016-03-14

Imore » t has recently been demonstrated that dynamical magnetic correlations measured by neutron scattering in iron chalcogenides can be described with models of short-range correlations characterized by particular choices of four-spin plaquettes, where the appropriate choice changes as the parent material is doped towards superconductivity. Here we apply such models to describe measured maps of magnetic scattering as a function of two-dimensional wave vectors obtained for optimally superconducting crystals of FeTe 1 ₋ x Se x . We show that the characteristic antiferromagnetic wave vector evolves from that of the bicollinear structure found in underdoped chalcogenides (at high temperature) to that associated with the stripe structure of antiferromagnetic iron arsenides (at low temperature); these can both be described with the same local plaquette, but with different interplaquette correlations. While the magnitude of the low-energy magnetic spectral weight is substantial at all temperatures, it actually weakens somewhat at low temperature, where the charge carriers become more itinerant. The observed change in spin correlations is correlated with the dramatic drop in the electronic scattering rate and the growth of the bulk nematic response upon cooling. n conclusion, we also present powder neutron diffraction results for lattice parameters in FeTe 1 ₋ x Se x indicating that the tetrahedral bond angle tends to increase towards the ideal value upon cooling, in agreement with the increased screening of the crystal field by more itinerant electrons and the correspondingly smaller splitting of the Fe 3d orbitals.« less

Thermodynamic characterization of Ni3TeO6, Ni2Te3O8 and NiTe2O5

NASA Astrophysics Data System (ADS)

Dawar, Rimpi; Babu, R.; Ananthasivan, K.; Anthonysamy, S.

2017-09-01

Measurement of vapour pressure of TeO2(g) over the biphasic mixture Ni3TeO6 (s) + NiO(s) in the temperature range 1143-1272 K was carried out using transpiration-thermogravimetric technique (TTG). Gibbs energy of formation of Ni3TeO6 was obtained from the temperature dependence of vapour pressure of TeO2 (g) generated by the incongruent vapourisation reaction, Ni3TeO6 (s) → NiO(s) + TeO2 (g) + 1/2 O2 in the temperature range 1143-1272 K. An isoperibol type drop calorimeter was used to measure the enthalpy increments of Ni3TeO6, Ni2Te3O8 and NiTe2O5. Thermodynamic functions viz., heat capacity, entropy and Gibbs energy functions of these compounds were derived from the experimentally measured enthalpy increment values. Third-law analysis was carried out to ascertain absence of temperature dependent systematic errors in the measurement of vapour pressure of TeO2 (g). A value of -1265.1 ± 1.5 kJ mol-1 was obtained for Δ Hf,298K o (Ni3TeO6) using third-law analysis.

X2Y2 isomers: tuning structure and relative stability through electronegativity differences (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te).

PubMed

El-Hamdi, Majid; Poater, Jordi; Bickelhaupt, F Matthias; Solà, Miquel

2013-03-04

We have studied the XYYX and X2YY isomers of the X2Y2 species (X = H, Li, Na, F, Cl, Br, I; Y = O, S, Se, Te) using density functional theory at the ZORA-BP86/QZ4P level. Our computations show that, over the entire range of our model systems, the XYYX isomers are more stable than the X2YY forms except for X = F and Y = S and Te, for which the F2SS and F2TeTe isomers are slightly more stable. Our results also point out that the Y-Y bond length can be tuned quite generally through the X-Y electronegativity difference. The mechanism behind this electronic tuning is the population or depopulation of the π* in the YY fragment.

Crystal Growth of CdTe by Gradient Freeze in Universal Multizone Crystallizator (UMC)

NASA Technical Reports Server (NTRS)

Su, Ching-Hua; Lehoczky, S. L.; Li, C.; Knuteson, D.; Raghothamachar, B.; Dudley, M.; Szoke, J.; Barczy, P.

2004-01-01

In the case of unsealed melt growth of an array of II-VI compounds, namely, CdTe, CdZnTe and ZnSe, there is a tremendous amount of experimental data describing the correlations between melt conditions and crystal quality. The results imply that the crystallinity quality can be improved if the melt was markedly superheated or long-time held before growth. It is speculated that after high superheating the associated complex dissociate and the spontaneous nucleation is retarded. In this study, crystals of CdTe were grown from melts which have undergone different thermal history by the unseeded gradient freeze method using the Universal Multizone Crystallizator (UMC). The effects of melt conditions on the quality of grown crystal were studied by various characterization techniques, including Synchrotron White Beam X-ray Topography (SWSXT), infrared microscopy, chemical analysis by glow discharge mass spectroscopy (GDMS), electrical conductivity and Hall measurements.

Size- effect induced high thermoelectric figure of merit in PbSe and PbTe nanowires.

PubMed

Wrasse, Ernesto O; Torres, Alberto; Baierle, Rogério J; Fazzio, Adalberto; Schmidt, Tome M

2014-05-07

The fundamental properties that compose the thermoelectric figure of merit are investigated in the confined systems of PbSe and PbTe nanowires, with the goal to improve the thermoelectric efficiency. Using the Landauer electronic transport theory, we verify that the figure of merit can be several times larger than the bulk value for nanowires with diameters down to the one nanometer scale. This enhancement in the thermoelectric efficiency is primarily due to the reduction of the thermal conductivity and an increase in the power factor. The origin of these desireable properties, that enable the transformation of heat into electricity, comes from the confinement effect which increases the density of states around the Fermi level, either for an n- or p-type system.

Investigation of scanning tunneling spectra on iron-based superconductor FeSe 0.5Te 0.5(in Chinese)

DOE PAGES

Du, Z. -Y.; Fang, D. -L.; Wang, Z. -Y.; ...

2015-05-05

FeSe 0.5Te 0.5 single crystals with superconducting critical temperature of 13.5 K are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) measureflents in detail. STM image on the top surface shows an atomically resolved square lattice consisted by white and dark spots with a constant of about 3.73± 0.03 Å which is consistent with the lattice constant 3.78 Å. The Se and Te atoms with a height difference of about 0.35 Å are successfully identified since the sizes of the two kinds of atoms are different. The tunneling spectra show very large zero-bias conductance value and asymmetric coherent peaks in the superconductingmore » state. According to the positions of coherence peaks, we determine the superconducting gap 2Δ = 5.5 meV, and the reduced gap 2Δ/kBTc = 4.9 is larger than the value predicted by the weak-coupling BCS theory. The zero-bias conductance at 1.7 K only have a decrease of about 40% compared with the normal state conductance, which may originate from some scattering and broadening mechanism in the material. This broadening effect will also make the superconducting gap determined by the distance between the coherence peaks larger than the exact gap value. The asymmetric structure of the tunneling spectra near the superconducting gap is induced by the hump on the background. This hump appears at temperature more than twice the superconducting critical temperature. This kind of hump has also been observed in other iron pnictides and needs further investigation. A possible bosonic mode outside the coherence peak with a mode energy Ω of about 5.5 meV is observed in some tunneling spectra, and the ratio between the mode energy and superconducting transition temperature Ω/kBTc ≈ 4.7 is roughly consistent with the universal ratio 4.3 in iron-based superconductors. The high-energy background of the spectra beyond the superconducting gaps shows a V-shape feature. The slopes of the differential conductance spectra at high energy are

Investigation of scanning tunneling spectra on iron-based superconductor FeSe 0.5Te 0.5 (in Chinese)

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

Du, Z. -Y.; Fang, D. -L.; Wang, Z. -Y.

FeSe 0.5Te 0.5 single crystals with superconducting critical temperature of 13.5 K are investigated by scanning tunneling microscopy/spectroscopy (STM/STS) measureflents in detail. STM image on the top surface shows an atomically resolved square lattice consisted by white and dark spots with a constant of about 3.73± 0.03 Å which is consistent with the lattice constant 3.78 Å. The Se and Te atoms with a height difference of about 0.35 Å are successfully identified since the sizes of the two kinds of atoms are different. The tunneling spectra show very large zero-bias conductance value and asymmetric coherent peaks in the superconductingmore » state. According to the positions of coherence peaks, we determine the superconducting gap 2Δ = 5.5 meV, and the reduced gap 2Δ/kBTc = 4.9 is larger than the value predicted by the weak-coupling BCS theory. The zero-bias conductance at 1.7 K only have a decrease of about 40% compared with the normal state conductance, which may originate from some scattering and broadening mechanism in the material. This broadening effect will also make the superconducting gap determined by the distance between the coherence peaks larger than the exact gap value. The asymmetric structure of the tunneling spectra near the superconducting gap is induced by the hump on the background. This hump appears at temperature more than twice the superconducting critical temperature. This kind of hump has also been observed in other iron pnictides and needs further investigation. A possible bosonic mode outside the coherence peak with a mode energy Ω of about 5.5 meV is observed in some tunneling spectra, and the ratio between the mode energy and superconducting transition temperature Ω/kBTc ≈ 4.7 is roughly consistent with the universal ratio 4.3 in iron-based superconductors. The high-energy background of the spectra beyond the superconducting gaps shows a V-shape feature. The slopes of the differential conductance spectra at high energy are

Lattice vibrational contribution to equation of state for tetrahedral compounds

NASA Astrophysics Data System (ADS)

Kagaya, H.-Matsuo; Kotoku, H.; Soma, T.

1989-02-01

The lattice vibrational contributions to the Helmholtz free energy and the thermal pressure of tetrahedral compounds such as GaP, InP, ZnS, ZnSe, ZnTe and CdTe are investigated from the electronic theory of solids in the dynamical treatment based on our presented binding force. The temperature dependence of Helmholtz free energy and thermal pressure from lattice vibrational term are quantitatively obtained, and vibrational contributions to free energy are small compared with the static crystal energy. The influence of the thermal pressure is important to the equation of state in high temperatures, and the reformulation of the volume scale for the pressure-volume relation is given by considering the thermal pressure.

Pressure-induced magnetic order in FeSe: A muon spin rotation study

NASA Astrophysics Data System (ADS)

Khasanov, Rustem; Guguchia, Zurab; Amato, Alex; Morenzoni, Elvezio; Dong, Xiaoli; Zhou, Fang; Zhao, Zhongxian

2017-05-01

The magnetic order induced by the pressure was studied in FeSe by means of muon spin rotation (μ SR ) technique. By following the evolution of the oscillatory part of the μ SR signal as a function of angle between the initial muon spin polarization and 101 axis of the studied FeSe sample, it was found that the pressure-induced magnetic order in FeSe corresponds either to the collinear (single-stripe) antiferromagnetic order as observed in parent compounds of various FeAs-based superconductors or to the bi-collinear order as obtained in the FeTe system, but with the Fe spins turned by 45o within the a b plane. The value of the magnetic moment per Fe atom was estimated to be ≃0.13 -0.14 μB at p ≃1.9 GPa.

Structural Evolution Following Spinodal Decomposition of the Pseudoternary Compound (Pb0.3Sn0.1Ge0.6)Te

NASA Astrophysics Data System (ADS)

Dado, Boaz; Gelbstein, Yaniv; Mogilansky, Dimitri; Ezersky, Vladimir; Dariel, Moshe P.

2010-09-01

Pseudoternary (Ge,Sn,Pb)Te compounds display favorable thermoelectric properties. Spinodal decomposition in the quasiternary (Ge,Sn,Pb)Te system is at the origin of a wide solubility gap at low Sn concentrations. The structural evolution of the spinodal decomposition was investigated as a function of aging time at 500°C, using x-ray diffraction, electron microscopy, and scanning electron microscopy. The evolution of the structure at 500°C consists initially of a short diffusion-controlled demixing stage into Pb- and Ge-rich coherent areas, with compositions corresponding to the inflection points of the free-energy curve. The Pb-rich areas adopt configurations associated with the directions of the soft elastic moduli of the cubic compound. Both the Pb- and Ge-rich areas are supersaturated and undergo in a second stage a nucleation and growth process and give rise to a biphased structure with equilibrium compositions corresponding to the boundaries of the miscibility gap. The resulting Pb-rich areas display a relatively stable microstructure suggesting the presence of long-range interactions between the Pb-rich precipitates in the Ge-rich matrix.

Linear magneto-resistance in Bi{sub 2}SeTe{sub 2} topological insulator

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

Amaladass, E. P., E-mail: edward@igcar.gov.in; Sharma, Shilpam; Devidas, T. R.

2016-05-23

Magnetic field and temperature dependent electronic transport measurements have been carried out on Bi{sub 2}SeTe{sub 2} topological insulator single crystals. The measurements reveal an insulating behavior and the carriers were found to be electrons (n-type) from Hall measurement. Magneto-resistance (MR) measurements in the field range (B) of 15 T to -15 T carried out at 4.2 K showed a cusp like weak anti-localization behavior for lower fields (-5 T 5 T. Upon increasing temperature, MR transforms to linear dependence of B at 40, 50 and 100 K. On further increasing temperatures (> 200 K), a parabolic MR is observed. Temperaturemore » dependent Hall data also showed a transition from a nonlinear to linear behavior upon increasing temperatures. Disorder induced changes in the electronic transport characteristics of bulk and surface electrons are believed to cause such changes in the magneto-transport behavior of this system.« less

Imaging atomic-scale effects of high-energy ion irradiation on superconductivity and vortex pinning in Fe(Se,Te).

PubMed

Massee, Freek; Sprau, Peter Oliver; Wang, Yong-Lei; Davis, J C Séamus; Ghigo, Gianluca; Gu, Genda D; Kwok, Wai-Kwong

2015-05-01

Maximizing the sustainable supercurrent density, J C, is crucial to high-current applications of superconductivity. To achieve this, preventing dissipative motion of quantized vortices is key. Irradiation of superconductors with high-energy heavy ions can be used to create nanoscale defects that act as deep pinning potentials for vortices. This approach holds unique promise for high-current applications of iron-based superconductors because J C amplification persists to much higher radiation doses than in cuprate superconductors without significantly altering the superconducting critical temperature. However, for these compounds, virtually nothing is known about the atomic-scale interplay of the crystal damage from the high-energy ions, the superconducting order parameter, and the vortex pinning processes. We visualize the atomic-scale effects of irradiating FeSe x Te1-x with 249-MeV Au ions and find two distinct effects: compact nanometer-sized regions of crystal disruption or "columnar defects," plus a higher density of single atomic site "point" defects probably from secondary scattering. We directly show that the superconducting order is virtually annihilated within the former and suppressed by the latter. Simultaneous atomically resolved images of the columnar crystal defects, the superconductivity, and the vortex configurations then reveal how a mixed pinning landscape is created, with the strongest vortex pinning occurring at metallic core columnar defects and secondary pinning at clusters of point-like defects, followed by collective pinning at higher fields.

Effect of thallium doping on the mobility of electrons in Bi{sub 2}Se{sub 3} and holes in Sb{sub 2}Te{sub 3}

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

Kudryashov, A. A.; Kytin, V. G.; Lunin, R. A.

2016-07-15

The Shubnikov–de Haas effect and the Hall effect in n-Bi{sub 2–x}Tl{sub x}Se{sub 3} (x = 0, 0.01, 0.02, 0.04) and p-Sb{sub 2–x}Tl{sub x}Te{sub 3} (x = 0, 0.005, 0.015, 0.05) single crystals are studied. The carrier mobilities and their changes upon Tl doping are calculated by the Fourier spectra of oscillations. It is found shown that Tl doping decreases the electron concentration in n-Bi{sub 2–x}Tl{sub x}Se{sub 3} and increases the electron mobility. In p-Sb{sub 2–x}Tl{sub x}Te{sub 3}, both the hole concentration and mobility decrease upon Tl doping. The change in the crystal defect concentration, which leads to these effects, ismore » discussed.« less

Thermoelectric efficiency of (1 - x)(GeTe) x(Bi2Se0.2Te2.8) and implementation into highly performing thermoelectric power generators.

PubMed

Koenig, J; Winkler, M; Dankwort, T; Hansen, A-L; Pernau, H-F; Duppel, V; Jaegle, M; Bartholomé, K; Kienle, L; Bensch, W

2015-02-14

Here we report for the first time on a complete simulation assisted "material to module" development of a high performance thermoelectric generator (TEG) based on the combination of a phase change material and established thermoelectrics yielding the compositions (1 - x)(GeTe) x(Bi(2)Se(0.2)Te(2.8)). For the generator design our approach for benchmarking thermoelectric materials is demonstrated which is not restricted to the determination of the intrinsically imprecise ZT value but includes the implementation of the material into a TEG. This approach is enabling a much more reliable benchmarking of thermoelectric materials for TEG application. Furthermore we analyzed the microstructure and performance close to in-operandi conditions for two different compositions in order to demonstrate the sensitivity of the material against processing and thermal cycling. For x = 0.038 the microstructure of the as-prepared material remains unchanged, consequently, excellent and stable thermoelectric performance as prerequisites for TEG production was obtained. For x = 0.063 we observed strain phenomena for the pristine state which are released by the formation of planar defects after thermal cycling. Consequently the thermoelectric performance degrades significantly. These findings highlight a complication for deriving the correlation of microstructure and properties of thermoelectric materials in general.

Analysis of the electrodeposition and surface chemistry of CdTe, CdSe, and CdS thin films through substrate-overlayer surface-enhanced Raman spectroscopy.

PubMed

Gu, Junsi; Fahrenkrug, Eli; Maldonado, Stephen

2014-09-02

The substrate-overlayer approach has been used to acquire surface enhanced Raman spectra (SERS) during and after electrochemical atomic layer deposition (ECALD) of CdSe, CdTe, and CdS thin films. The collected data suggest that SERS measurements performed with off-resonance (i.e. far from the surface plasmonic wavelength of the underlying SERS substrate) laser excitation do not introduce perturbations to the ECALD processes. Spectra acquired in this way afford rapid insight on the quality of the semiconductor film during the course of an ECALD process. For example, SERS data are used to highlight ECALD conditions that yield crystalline CdSe and CdS films. In contrast, SERS measurements with short wavelength laser excitation show evidence of photoelectrochemical effects that were not germane to the intended ECALD process. Using the semiconductor films prepared by ECALD, the substrate-overlayer SERS approach also affords analysis of semiconductor surface adsorbates. Specifically, Raman spectra of benzenethiol adsorbed onto CdSe, CdTe, and CdS films are detailed. Spectral shifts in the vibronic features of adsorbate bonding suggest subtle differences in substrate-adsorbate interactions, highlighting the sensitivity of this methodology.

Quantum oscillations in a topological insulator Bi2Te2Se with large bulk resistivity (6 Ω cm)

NASA Astrophysics Data System (ADS)

Xiong, Jun; Petersen, A. C.; Qu, Dongxia; Hor, Y. S.; Cava, R. J.; Ong, N. P.

2012-02-01

We report the observation of prominent Shubnikov-de Haas oscillations in a Topological Insulator, Bi2Te2Se, with large bulk resistivity (6 Ω cm at 4 K). By fitting the SdH oscillations, we infer a large metallicity parameter kFℓ=41, with a surface mobility (μs∼2800 cm2/V s) much larger than the bulk mobility (μb∼50 cm2/V s). The plot of the index fields Bν vs. filling factor ν shows a {1}/{2}-shift, consistent with massless, Dirac states.

Investigation of half-metallic ferromagnetism in Heusler compounds Co2VZ (Z = Ga, Ge, As, Se)

NASA Astrophysics Data System (ADS)

Han, Jiajia; Wang, Zhengwei; Xu, Weiwei; Wang, Cuiping; Liu, Xingjun

2017-11-01

The electronic structures and magnetic properties of 3d transition metal-based full Heusler compounds Co2VZ (Z = Ga, Ge, As, Se) are investigated using the projector augmented wave (PAW) pseudopotential method. By considering the strong localization of Co 3d-states and V 3d-states at the Fermi level, these Co2VZ (Z = Ga, Ge, As, Se) compounds were treated in the framework of the generalized gradient approximation (GGA)+U method, and the results from the conventional GGA method are presented for comparison. The results that were obtained from the density of states with the GGA+U and GGA methods show that the Co2VGa compound is a half-metallic ferromagnet. For the Co2VGe and Co2VAs compounds, the GGA+U method predicts that these two compounds are half-metallic ferromagnetic by shifting the Fermi level to a lower value with respect to the gap in the minority states, when compared to the conventional GGA method. The energy gaps are determined to be 0.283 eV and 0.425 eV, respectively. However, these results show that the density of states of the Co2VSe compound has a metallic character, although the 3d states were corrected when using the GGA+U method. We found that the characteristic of half-metallic ferromagnetism is attributed to the interaction between the V 3d-states other than Co 3d-states. The calculated total magnetic moments are 2.046 μB, 3.054 μB and 4.012 μB respectively for the Co2VZ (Z = Ga, Ge, As) compounds with the GGA+U method. The relationship between total spin magnetic moment per formula unit and total number of valence electrons of these Heusler compounds is in agreement with the Slater-Pauling rule.

Thermodynamic Properties of AgIn2Te3I and AgIn2Te3Br, Determined by EMF Method

NASA Astrophysics Data System (ADS)

Moroz, M. V.; Prokhorenko, M. V.; Prokhorenko, S. V.; Yatskov, M. V.; Reshetnyak, O. V.

2018-01-01

Differential thermal analysis (DTA), X-ray diffraction (XRD), and electromotive force (EMF) are used to triangulate Ag-In-Te-I(Br) systems in the vicinity of compounds AgIn2Te3I and AgIn2Te3Br. The three-dimensional position of the AgIn2Te3I-InTe-Ag2Te-AgI and AgIn2Te3Br-InTe-Ag3TeBr phase areas with respect to the figurative points of silver is used to create equations of potential-determining chemical reactions. The potential-determining reactions are conducted in (-)C|Ag|Ag3GeS3I(Br) glass|D|C(+) electrochemical cells (ECCs), where C stands for inert (graphite) electrodes, Ag and D are ECC electrodes (D denotes alloys of one-, three-, and four-phase areas), and Ag3GeS3I and Ag3GeS3Br glasses are membranes with purely ionic Ag+ conductivity. Linear parts of the temperature dependences of the cell EMFs are used to calculate the standard integral thermodynamic functions of saturated solid solutions based on AgIn2Te3I and AgIn2Te3Br, and the relative partial thermodynamic functions of silver in the stoichiometric quaternary compounds.

Electronic structure and defect properties of hybrid chalcohalides Hg3Q2I2 (Q =S, Se and Te) for radiation detection

NASA Astrophysics Data System (ADS)

Kontsevoi, Oleg Y.; He, Yihui; Wessels, Bruce W.; Kanatzidis, Mercouri G.

Heavy metal chalcohalides Hg3Q2I2 (Q =S, Se and Te) have shown significant promise as X-ray and γ-ray detector materials. To assess the fundamental physical properties important for their performance as detectors, theoretical calculations were performed for the electronic structure, band gaps, electron and hole effective masses, and native defect properties. The calculations were based on first-principles density functional theory (DFT) and employ the highly precise full potential linearized augmented plane wave method and the projector augmented wave method and include nonlocal exchange-correlation functionals to overcome the band gap underestimation in DFT calculations. The calculations show that Hg3Q2I2 have either indirect (Q =S, Se) or direct (Q =Te) band gaps within 1.9-2.25 range which is optimal for a detector material, and very small electron effective masses (0.19 m0 for Hg3Se2I2) which could result in a good carrier mobility-lifetime product μτ . We further investigated a large set of native defects in the most promising candidate material, Hg3Se2I2, to determine the optimal growth conditions for application as γ-ray detectors. The results suggest that the prevalent intrinsic defects are iodine vacancies, mercury vacancies, and selenium vacancies followed by antisite defects. The effect of various chemical environments on defect properties was examined and the optimal conditions for material synthesis were suggested. Supported by DHS (Grant No. 2014-DN-077-ARI086-01).

Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).

PubMed

Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal

2016-07-05

The syntheses and structural characterization of hypo-electronic di-molybdenum triple-decker sandwich clusters are reported. Thermolysis of [Ru3(CO)12] with an in situ generated intermediate obtained from the reaction of [Cp*MoCl4] with [LiBH4·THF] yielded an electron deficient triple-decker sandwich complex, [(Cp*Mo)2{μ-η(6):η(6)-B4H4Ru2(CO)6}], . In an effort to generate analogous triple-deckers containing group-16 elements, we isolated [(Cp*Mo)2{μ-η(6):η(6)-B4H4ERu(CO)3}] (: E = Te; : E = S; : E = Se). These clusters show a high metal coordination number and cross cluster Mo-Mo bond. The formal cluster electron count of these compounds is four or three skeletal electron pairs less than required for a canonical closo-structure of the same nuclearity. Therefore, these compounds represent a novel class of triple-decker sandwich complex with 22 or 24 valence-electrons (VE), wherein the "chair" like hexagonal middle ring is composed of B, Ru and chalcogen. One of the key differences among the synthesized triple-decker molecules is the puckering nature of the middle ring [B4RuE], which increases in the order S < Se < Ru(CO)3 < Te. In addition, Fenske-Hall and quantum-chemical calculations with DFT methods at the BP86 level of theory have been used to analyze the bonding of these novel complexes. The studies not only explain the electron unsaturation of the molecules, but also reveal the reason for the significant puckering of the middle deck. All the compounds have been characterized by IR, (1)H, (11)B, and (13)C NMR spectroscopy in solution and the solid state structures were established by crystallographic analysis.

Superconducting proximity effect in a topological insulator using Fe(Te, Se)

NASA Astrophysics Data System (ADS)

Zhao, He; Rachmilowitz, Bryan; Ren, Zheng; Han, Ruobin; Schneeloch, J.; Zhong, Ruidan; Gu, Genda; Wang, Ziqiang; Zeljkovic, Ilija

2018-06-01

Interest in the superconducting proximity effect has recently been reignited by theoretical predictions that it could be used to achieve topological superconductivity. Low-Tc superconductors have predominantly been used in this effort, but small energy scales of ˜1 meV have hindered the characterization of the emergent electronic phase, limiting it to extremely low temperatures. In this work, we use molecular beam epitaxy to grow topological insulator B i2T e3 in a range of thicknesses on top of a high-Tc superconductor Fe(Te,Se). Using scanning tunneling microscopy and spectroscopy, we detect Δind as high as ˜3.5 meV, which is the largest reported gap induced by proximity to an s -wave superconductor to date. We find that Δind decays with B i2T e3 thickness, but remains finite even after the topological surface states have been formed. Finally, by imaging the scattering and interference of surface state electrons, we provide a microscopic visualization of the fully gapped B i2T e3 surface state due to Cooper pairing. Our results establish Fe-based high-Tc superconductors as a promising new platform for realizing high-Tc topological superconductivity.

First principles study of structural, optoelectronic and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) chalcogenides

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

Hussain, Sajjad; Murtaza, G., E-mail: murtaza@icp.edu.pk; Haidar Khan, Shah

2016-07-15

Highlights: • Copper based quaternary chalcogenides are important for optoelectronic devices. • The WC-GGA shows that the materials are metallic in nature. • The EV-GGA predicts better band gaps compared to WC-GGA. • Absorption peaks are high in the visible and ultraviolet energy regions. • All the semiconductors have figure of merit above 0.70. - Abstract: In this work, structural, electronic, optical and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) have been studied through the full potential linearized augmented plane wave method. Calculated ground state lattice parameters are in good agreement with the experimental results. Latticemore » constant and bulk moduli vary inversely by replacing the anion X from S to Te in Cu{sub 2}CdSnX{sub 4}. The WC-GGA shows that the materials are metallic in nature. The EV-GGA predicts better band gaps compared to WC-GGA. The calculated bandgap values are 1.8, 1.06 and 0.8042 for Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4} respectively. Cd-d, Sn-s and X-p states contribute significantly in the density of states of the compounds. Absorption peaks and optical conductivity is high in the visible and ultraviolet energy regions. All the semiconductors have figure of merit above 0.70. The optical and thermoelectric properties clearly show that Cu{sub 2}CdSnX{sub 4} are potential candidates in the fields of solar cell and thermoelectric technology.« less

Thermoelectric Properties of Pulsed Electric Current Sintered Samples of AgPb m SbSe17 ( m = 16 or 17)

NASA Astrophysics Data System (ADS)

Wu, Chun-I.; Todorov, Ilyia; Kanatzidis, Mercouri G.; Timm, Edward; Case, Eldon D.; Schock, Harold; Hogan, Timothy P.

2012-06-01

Lead chalcogenide materials have drawn attention in recent years because of their outstanding thermoelectric properties. Bulk n-type materials of AgPb m SbTe2+ m have been reported to exhibit high figure of merit, ZT, as high as 1.7 at 700 K. Recent reports have shown p-type lead selenide-based compounds with comparable ZT. The analogous material AgPb m SbSe17 shares a similar cubic rock-salt structure with PbTe-based compounds; however, it exhibits a higher melting point, and selenium is more abundant than tellurium. Using solid solution chemistry, we have fabricated cast AgPb15SbSe17 samples that show a peak power factor of approximately 17 μW/cm K2 at 450 K. Increasing the strength of such materials is commonly achieved through powder processing, which also helps to homogenize the source materials. Pulsed electric current sintering (PECS) is a hot-pressing technique that utilizes electric current through the die and sample for direct Joule heating during pressing. The mechanisms present during PECS processing have captured significant research interest and have led to some notable improvements in sample properties compared with other densification techniques. We report the thermoelectric properties of PECS samples of AgPb m SbSe17 along with sample fabrication and processing details.

Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds

NASA Astrophysics Data System (ADS)

Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H.; Kühne, Thomas D.; Bernasconi, Marco

2016-05-01

We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

Influence of the exchange and correlation functional on the structure of amorphous InSb and In3SbTe2 compounds.

PubMed

Gabardi, Silvia; Caravati, Sebastiano; Los, Jan H; Kühne, Thomas D; Bernasconi, Marco

2016-05-28

We have investigated the structural, vibrational, and electronic properties of the amorphous phase of InSb and In3SbTe2 compounds of interest for applications in phase change non-volatile memories. Models of the amorphous phase have been generated by quenching from the melt by molecular dynamics simulations based on density functional theory. In particular, we have studied the dependence of the structural properties on the choice of the exchange-correlation functional. It turns out that the use of the Becke-Lee-Yang-Parr functional provides models with a much larger fraction of In atoms in a tetrahedral bonding geometry with respect to previous results obtained with the most commonly used Perdew-Becke-Ernzerhof functional. This outcome is at odd with the properties of Ge2Sb2Te5 phase change compound for which the two exchange-correlation functionals yield very similar results on the structure of the amorphous phase.

Ionic electrodeposition of II-VI and III-V compounds. III. Computer simulation of quasi-rest potentials for M/sub 1/X/sub 1/ compounds analogous to CdTe

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

Engelken, R.D.

1987-04-01

The quasi-rest potential (QRP) has been proposed as a key quantity in characterizing compound semiconductor (e.g. CdTe) electrodeposition. This article expands the modeling/simulation representative of Cd/sub x/Te in chemical equilibrium to calculate two ''QRP's'': E/sub M/1/sub /, the mixed potential occurring immediately after current interruption and before any relaxation in double layer ion concentration and significant ion exchange/surface stoichiometry change occur, and E/sub M/2/sub /, another mixed potential occurring after the double layer ion concentrations have relaxed to their bulk values but still before any significant surface composition change occurs. Significant predictions include existence of a dramatic negative transition inmore » QRP, with negative-going deposition potential, centered on the potential of perfect stoichiometry (PPS), inequality, in general, between the PPS and E/sub M/1/sub / unless the deposit remains in equilibrium with the electrolyte (no ion exchange at open circuit), negligible sensitivity of QRP-E curves to the activity coefficient parameter implying the importance of the PPS in characterizing compound deposition, and disappearance of the transition structure for sufficiently positive Gibbs free energies.« less

Biofortification (Se): Does it increase the content of phenolic compounds in virgin olive oil (VOO)?

PubMed Central

D’Amato, Roberto; Proietti, Primo; Onofri, Andrea; Regni, Luca; Esposto, Sonia; Servili, Maurizio; Businelli, Daniela; Selvaggini, Roberto

2017-01-01

Extra-Virgin Olive Oil (EVOO) is a fundamental component of the Mediterranean diet and it may contain several anti-oxidant substances, such as phenols. Previous research has shown that this food may be enriched in phenols by spraying a sodium-selenate solution (100 mg L-1 Se) onto the crop canopy before flowering. The aim of this research was to evaluate the effect of this Se-fertilization before flowering (cv. Leccino) on the phenolic profile of EVOOs, and test to what extent such effects depend on the weather pattern, as observed in two contrasting experimental seasons (2013 and 2014). Results showed that Se-fertilisation enriched EVOOs both in selenium (up to 120 μg kg-1) and in phenols (up to 401 mg kg-1). This latter enrichment was related to an increase in PAL (L-Phenylalanine Ammonia-Lyase) activities and it was largely independent on the climatic pattern. Considering the phenolic profile, oleacein, ligustroside, aglycone and oleocanthal were the most affected compounds and were increased by 57, 50 and 32%, respectively. All these compounds, especially oleacein, have been shown to exert a relevant anti-oxidant activity, contributing both to the shelf-life of EVOOs and to positive effects on human health. It is suggested that Se-fertilisation of olive trees before flowering may be an interesting practice, particularly with poor cultivars and cold and rainy weather patterns, which would normally lead to the production of EVOOs with unfavourable phenolic profile. PMID:28448631

In-Situ Optical Determination of Thermomechanical Properties of ZnSe and ZnTe Crystals

NASA Technical Reports Server (NTRS)

Burger, A.; Ndap, J.-O.; Chattopadhyay, K.; Ma, X.; Silberman, E.; Feth, S.; Palosz, W.; Su, C.-H.

1999-01-01

At temperatures above 1/2 T(sub m), the generation and movement of dislocations may result due to the load created by the weight of the crystal itself The deformation may be expected to increase the line defect density and may result in generation of low angle grain boundaries, especially in the regions of the crystal attached to the ampule. It has often been suspected that elimination of this effect in space can improve crystallinity of crystals grown under microgravity conditions, however, a direct experimental proof of such relation is still missing. In this work we have designed and built a system of in-situ optical detection and measurement of the mechanical deformations of a crystal wafer under its own weight, and studied the deformation effects as a function of temperature. The results of the measurements for ZnSe and ZnTe crystal wafers will be presented.

Electronic and mechanical properties of ZnX (X = S, Se and Te)—An ab initio study

NASA Astrophysics Data System (ADS)

Verma, Ajay Singh; Sharma, Sheetal; Sarkar, Bimal Kumar; Jindal, Vijay Kumar

2011-12-01

Zinc chalcogenides (ZnX, X = S, Se and Te) have been increasing attention as wide and direct band gap semiconductor for blue and ultraviolet optical devices. This paper analyzes electronic and mechanical properties of these materials by ab initio pseudo-potential method that uses non conserving pseudopotentials in fully nonlocal form, as implemented in SIESTA code. In this approach the local density approximation (LDA) is used for the exchange-correlation (XC) potential. The calculations are given for band gap, elastic constants (C11, C12 and C44), shear modulus, and Young's modulus. The results are in very good agreement with previous theoretical calculations and available experimental data.

On the electronic structure and thermoelectric properties of BiTeBr and BiTeI single crystals and of BiTeI with the addition of BiI{sub 3} and CuI

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

Kulbachinskii, Vladimir A., E-mail: kulb@mig.phys.msu.ru; Kytin, Vladimir G.; Kudryashov, Alexey A.

The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin-orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. The optimized crystal structures show a tendency for the Bi-X (X=Br, I) bond elongation compared to the Bi-Te one. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within themore » frames of the acoustic phonons scattering model. Because of larger thermopower BiTeBr exhibits a twice higher thermoelectric figure-of-merit near room temperature, ZT=0.17, compared to BiTeI. The addition of 1 mass% of BiI{sub 3} or CuI to BiTeI decreases the mobility of electrons by two orders of magnitude, leading to significantly lower electrical conductivity, but at the same time effectively reduces the thermal conductivity. The prospects of further enhancing the thermoelectric efficiency are briefly discussed. - Graphical abstract: View of the crystal structure of BiTeBr is shown in the figure The optimized crystal structures show a tendency for the Bi-X (X=Br, I) bond elongation compared to the Bi-Te one. The electronic structures were calculated for BiTeBr and BiTeI using the density-functional theory approach and accounting for the strong spin-orbital interaction. Qualitatively, the band structures for two compounds are similar, showing strong mixing of the p states of all elements in vicinity of the Fermi level, with the band gaps of 0.595 and 0.478 eV for BiTeBr and BiTeI, respectively. Both compounds are intrinsic n-type semiconductors but display a metallic-like conductivity coupled to rather large thermopower, which is rationalized within the frames of the acoustic phonons scattering

Pressure dependence of the charge-density-wave and superconducting states in GdTe 3 ,   TbTe 3 , and DyTe 3

DOE PAGES

Zocco, D. A.; Hamlin, J. J.; Grube, K.; ...

2015-05-14

Here, we present electrical resistivity and ac-susceptibility measurements of GdTe 3, TbTe 3 and DyTe 3 performed under pressure. An upper charge-density-wave (CDW) is suppressed at a rate of dT CW,1/dP~ –85K/GPa. For TbTe 3 and DyTe 3, a second CDW below T CDW,2 increases with pressure until it reaches the T CDW,1(P) line. For GdTe 3, the lower CDW emerges as pressure is increased above ~1GPa. As these two CDW states are suppressed with pressure, superconductivity (SC) appears in the three compounds at lower temperatures. Ac-susceptibility experiments performed on TbTe 3 provide compelling evidence for bulk SC in themore » low-pressure region of the phase diagram. We provide measurements of superconducting critical fields and discuss the origin of a high-pressure superconducting phase occurring above 5 GPa.« less

Angle-resolved and core-level photoemission study of interfacing the topological insulator Bi1.5Sb0.5Te1.7Se1.3 with Ag, Nb, and Fe

NASA Astrophysics Data System (ADS)

de Jong, N.; Frantzeskakis, E.; Zwartsenberg, B.; Huang, Y. K.; Wu, D.; Hlawenka, P.; Sańchez-Barriga, J.; Varykhalov, A.; van Heumen, E.; Golden, M. S.

2015-08-01

Interfaces between a bulk-insulating topological insulator (TI) and metallic adatoms have been studied using high-resolution, angle-resolved, and core-level photoemission. Fe, Nb, and Ag were evaporated onto Bi1 .5Sb0 .5Te1 .7Se1 .3 (BSTS) surfaces both at room temperature and 38 K. The coverage and temperature dependence of the adsorption and interfacial formation process have been investigated, highlighting the effects of the overlayer growth on the occupied electronic structure of the TI. For all coverages at room temperature and for those equivalent to less than 0.2 monolayer at low temperature all three metals lead to a downward shift of the TI bands with respect to the Fermi level. At room temperature Ag appears to intercalate efficiently into the van der Waals gap of BSTS, accompanied by low-level substitution for the Te/Se atoms of the termination layer of the crystal. This Te/Se substitution with silver increases significantly for low temperature adsorption, and can even dominate the electrostatic environment of the Bi/Sb atoms in the BSTS near-surface region. On the other hand, Fe and Nb evaporants remain close to the termination layer of the crystal. On room temperature deposition, they initially substitute isoelectronically for Bi as a function of coverage, before substituting for Te/Se atoms. For low temperature deposition, Fe and Nb are too immobile for substitution processes and show a behavior consistent with clustering on the surface. For both Ag and Fe/Nb, these differing adsorption pathways still lead to the qualitatively similar and remarkable behavior for low temperature deposition that the chemical potential first moves downward (p -type dopant behavior) and then upward (n -type behavior) on increasing coverage.

First-principles study of half-metallic properties in RbCaNZ (Z = O, S, and Se) quaternary Heusler compounds

NASA Astrophysics Data System (ADS)

Rezaei, S.; Ahmadian, F.

2018-06-01

On the basis of first principles calculations, the electronic structures and magnetic properties of quaternary Heusler alloys RbCaNZ (Z = O, S, and Se) were studied. The negative formation energies indicated that all these compounds were thermodynamically stable and thus may be experimentally synthesized at appropriate conditions in the future. The results showed that YI structure was the most favorable configuration among the three possible structures. All compounds were found to be half-metallic ferromagnets. The characteristic of energy bands and origin of half-metallicity were also verified. The total magnetic moments of RbCaNZ (Z = O, S, and Se) compounds were obtained 2μB per formula unit, which were in an agreement with Slater-Pauling rule (Mtot = 12 - Ztot). Half-metallicity was preserved at ranges of 5.06-8.36 Å, 5.96-8.81 Å, and 6.13-8.73 Å for RbCaNO, RbCaNS, and RbCaNSe compounds, respectively, which show that these quaternary Heusler compounds may be potential candidates in spintronic applications.

Ba2F2Fe(1.5)Se3: An Intergrowth Compound Containing Iron Selenide Layers.

PubMed

Driss, Dalel; Janod, Etienne; Corraze, Benoit; Guillot-Deudon, Catherine; Cario, Laurent

2016-03-21

The iron selenide compound Ba2F2Fe(1.5)Se3 was synthesized by a high-temperature ceramic method. The single-crystal X-ray structure determination revealed a layered-like structure built on [Ba2F2](2+) layers of the fluorite type and iron selenide layers [Fe(1.5)Se3](2-). These [Fe1.5Se3](2-) layers contain iron in two valence states, namely, Fe(II+) and Fe(III+) located in octahedral and tetrahedral sites, respectively. Magnetic measurements are consistent with a high-spin state for Fe(II+) and an intermediate-spin state for Fe(III+). Moreover, susceptibility and resistivity measurements demonstrate that Ba2F2Fe(1.5)Se3 is an antiferromagnetic insulator.

Dispersion of the refractive index of a samarium-doped Se{sup 95}Te{sup 5} chalcogenide glassy semiconductor

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

Atayeva, S. U., E-mail: seva-atayeva@mail.ru; Mekhtiyeva, S. I.; Isayev, A. I.

2015-07-15

The transmission spectrum of a Se{sup 95}Te{sup 5} chalcogenide glassy semiconductor doped with samarium (0.05, 0.1, 0.25, 0.5, and 1 at %) is studied; the Swanepoel method and the single-oscillator model are used to determine the oscillator energy E{sup 0}, dispersion energy E{sup d}, optical width of the band gap E{sup g}, and linear (n) and nonlinear (n{sup 2}) refractive indices. The changes in the values of these parameters as a result of doping are attributed to modification of the local structure and to a change in the concentration of defect states.

Rationally Controlled Synthesis of CdSexTe1-x Alloy Nanocrystals and Their Application in Efficient Graded Bandgap Solar Cells.

PubMed

Wen, Shiya; Li, Miaozi; Yang, Junyu; Mei, Xianglin; Wu, Bin; Liu, Xiaolin; Heng, Jingxuan; Qin, Donghuan; Hou, Lintao; Xu, Wei; Wang, Dan

2017-11-08

CdSe x Te 1-x semiconductor nanocrystals (NCs), being rod-shaped/irregular dot-shaped in morphology, have been fabricated via a simple hot-injection method. The NCs composition is well controlled through varying molar ratios of Se to Te precursors. Through changing the composition of the CdSe x Te 1-x NCs, the spectral absorption of the NC thin film between 570-800 nm is proved to be tunable. It is shown that the bandgap of homogeneously alloyed CdSe x Te 1-x active thin film is nonlinearly correlated with the different compositions, which is perceived as optical bowing. The solar cell devices based on CdSe x Te 1-x NCs with the structure of ITO/ZnO/CdSe/CdSe x Te 1-x /MoO x /Au and the graded bandgap ITO/ZnO/CdSe( w / o )/CdSe x Te 1-x /CdTe/MoO x /Au are systematically evaluated. It was found that the performance of solar cells degrades almost linearly with the increase of alloy NC film thickness with respect to ITO/ZnO/CdSe/CdSe 0.2 Te 0.8 /MoO x /Au. From another perspective, in terms of the graded bandgap structure of ITO/ZnO/CdSe/CdSe x Te 1-x /CdTe/MoO x /Au, the performance is improved in contrast with its single-junction analogues. The graded bandgap structure is proved to be efficient when absorbing spectrum and the solar cells fabricated under the structure of ITO/ZnO/CdSe 0.8 Te 0.2 /CdSe 0.2 Te 0.8 /CdTe/MoO x /Au indicate power conversion efficiency (PCE) of 6.37%, a value among the highest for solution-processed inversely-structured CdSe x Te 1-x NC solar cells. As the NC solar cells are solution-processed under environmental conditions, they are promising for fabricating solar cells at low cost, roll by roll and in large area.

EXAFS and electrical studies of new narrow-gap semiconductors: InTe1-xSex and In1-xGaxTe

NASA Astrophysics Data System (ADS)

Lebedev, A. I.; Michurin, A. V.; Sluchinskaya, I. A.; Demin, V. N.; Munro, I. H.

2000-12-01

The local environment of Ga, Se and Tl atoms in InTe-based solid solutions was studied by EXAFS technique. It was shown that all investigated atoms are substitutional impurities, which enter the In(1), Te and In(2) positions in the InTe structure, respectively. The electrical measurements revealed that In1-xGaxTe and InTe1-xSex solid solutions become semiconductors at x>0.24 and >0.15, respectively.

Structure and Properties of Sn2Se3, a mixed valent tin selenium compound

NASA Astrophysics Data System (ADS)

Xing, Guangzong; Li, Yuwei; Fan, Xiaofeng; Zhang, Lijun; Singh, David

Sn2Se3 is a possibly expected phase based on analogy with Sn2S3 but it has never been reported. It is of interest due to reported phase change memories using this composition using transitions between an amorphous phase and an unknown crystalline phase. We identify the crystal structure Sn2Se3 and report its properties at ambient pressure based on the ab initio evolutionary methodology for crystal structure prediction implemented in the Calypso code. We find a structure based on Sn-Se ribbons with clear Sn(II)and Sn(IV)sites similar to the structure of Sn2S3. Compared with the known phase SnSe (Pnma) +SnSe2 (P-3m1), the energy is only 2.3meV/atom higher. The electronic structure of this phase shows mixed valent tins Sn2+ and Sn4+ in this compound. A small band gap of 0.023 eV is obtained from the band structure consistent with the small resistance reported by Kyung-Min Chung et al. Work at the University of Missouri is supported by DOE through the S3TEC EFRC.

Electronic and Optical Properties of Core/Shell Pb16X16/Cd52X52 (X =S, Se, Te) Quantum Dots

NASA Astrophysics Data System (ADS)

Tamukong, Patrick; Mayo, Michael; Kilina, Svetlana

2015-03-01

The electronic and optoelectronic properties of semiconductor quantum dots (QDs) are mediated by surface defects due to the presence of dangling bonds producing trap states within the HOMO-LUMO energy gap, and contributing to fluorescence quenching. Surface capping ligands are generally used to alleviate this problem and increase the quantum yields of QDs. An alternative way is to synthesize core-shell QD structures; i.e., a QD core with a shell of another semiconductor material. We have investigated the effects of Cd52X52 shells on the photoexcited dynamics of Pb16X16 (X =S, Se, Te) QDs. The thin (~ 0.50 nm) shells were found to result largely in type I core/shell structures and a blue shift of the absorption spectra. Our studies revealed fairly strong core-shell hybridization in the electronic states close to the conduction band (CB) edge for Pb16S16andPb16Se16 cores, whereas for the Pb16Te16 core, such CB states were largely shell-like in nature. Nonadiabatic DFT-based dynamics, coupled with the surface hopping method, was used to study the effects of the core and shell compositions on energy relaxation rates in these systems.

Ba9V3Se15: a novel compound with spin chains

NASA Astrophysics Data System (ADS)

Zhang, Jun; Liu, Min; Wang, Xiancheng; Zhao, Kan; Duan, Lei; Li, Wenmin; Zhao, Jianfa; Cao, Lipeng; Dai, Guangyang; Deng, Zheng; Feng, Shaomin; Zhang, Sijia; Liu, Qingqing; Yang, Yi-feng; Jin, Changqing

2018-05-01

In this work, a novel compound Ba9V3Se15 with one-dimensional (1D) spin chains was synthesized under high-pressure and high-temperature conditions. It was systematically characterized via structural, magnetic, thermodynamic and transport measurements. Ba9V3Se15 crystallizes into a hexagonal structure with a space group of P-6c2 (188) and the lattice constants of a  =  b  =  9.5745(7) Å and c  =  18.7814(4) Å. The crystal structure consists of face-sharing octahedral VSe6 chains along c axis, which are trimeric and arranged in a triangular lattice in ab-plane. Ba9V3Se15 is a semiconductor and undergoes complex magnetic transitions. In the zero-field-cooled (ZFC) process with magnetic field of 10 Oe, Ba9V3Se15 sequentially undergoes ferrimagnetic and spin cluster glass transition at 2.5 K and 3.3 K, respectively. When the magnetic field exceeds 50 Oe, only the ferrimagnetic transition can be observed. Above the transition temperature, the specific heat contains a significant magnetic contribution that is proportional to T 1/2. The calculation suggests that the nearest neighbor (NN) intra-chain antiferromagnetic exchange J 1 is much larger than the next nearest neighbor (NNN) intra-chain ferromagnetic exchange J 2. Therefore, Ba9V3Se15 can be regarded as an effective ferromagnetic chains with effective spin-1/2 by the formation of the V(2)(↓) V(1)(↑) V(2)(↓) cluster.

Non-isothermal crystallization kinetics of ternary Se90Te10-xPbx glasses

NASA Astrophysics Data System (ADS)

Atyia, H. E.; Farid, A. S.

2016-02-01

Ternary Se90Te10-xPbx with (x=2 and 6 at%) glass compositions have been prepared using a melt quenching technique and performed the non-isothermal kinetics by differential thermal analysis (DTA) at various heating rates. The glassy state of the studied samples has been characterized using x-ray diffraction analysis. The glass transition temperature Tg, the onset temperature of crystallization Tc and the peak temperature of crystallization Tp are found to be composition and heating rate dependent. From heating rate dependence of Tg and Tp, the glass transition activation energies Eg and the crystallization activation energies Ec have been determined according to different methods. The transformation mechanisms have been examined by the values of Avrami exponent n and dimensionality of growth m. Thermal stability and glass formation ability have been monitored through the calculation of the thermal stability S, temperature difference ΔT, Hurby parameter Hr, frequency factor Ko, crystallization rate factor K and fragility index F. The compositional dependence of the above-mentioned parameters indicate that, the stability of the studied glass samples decreases with increasing Pb at% content.

Constitution diagram on the system TlSe-Tb-Se

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

Guseinov, G.D.; Kerimova, E.M.; Agamaliev, D.G.

1988-03-01

The constitution diagram of the system TlSe-TbSe was constructed based on the results of differential-thermal, x-ray phase, and microstructural analyses and measurements of the microhardness. The compound TlTbSe/sub 2/, forming by a peritectic reaction, was observed. It was established that the solubility of TbSe in TlSe at room temperature equals 4.0 mole %.

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

NASA Technical Reports Server (NTRS)

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

1998-01-01

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.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 II-VI semiconductor materials has not advanced far enough to provide the low price, high quality substrates needed for the thin film growth technology. The electrical and optical properties of semiconductor materials depend on the native point defects, (the deviation from stoichiometry), and the impurity or dopant distribution. To date, the bulk growth of ZnSe substrates has been plagued with problems related to defects such as non-uniform distributions of native defects, impurities and dopants, lattice strain, dislocations, grain boundaries, and second phase inclusions which greatly effect the device performance. In the bulk crystal growth of some technologically important semiconductors, such as ZnTe, CdS, ZnSe and ZnS, vapor growth techniques have significant advantages over melt growth techniques due to the high melting points of these materials.

Large magnetoresistance in non-magnetic silver chalcogenides and new class of magnetoresistive compounds

DOEpatents

Saboungi, Marie-Louis; Price, David C. L.; Rosenbaum, Thomas F.; Xu, Rong; Husmann, Anke

2001-01-01

The heavily-doped silver chalcogenides, Ag.sub.2+.delta. Se and Ag.sub.2+.delta. Te, show magnetoresistance effects on a scale comparable to the "colossal" magnetoresistance (CMR) compounds. Hall coefficient, magnetoconductivity, and hydrostatic pressure experiments establish that elements of narrow-gap semiconductor physics apply, but both the size of the effects at room temperature and the linear field dependence down to fields of a few Oersteds are surprising new features.

Properties of Type-II ZnTe/ZnSe Submonolayer Quantum Dots Studied via Excitonic Aharonov- Bohm Effect and Polarized Optical Spectroscopy

NASA Astrophysics Data System (ADS)

Ji, Haojie

In this thesis I develop understanding of the fundamental physical and material properties of type-II ZnTe/ZnSe submonolayer quantum dots (QDs), grown via combination of molecular beam epitaxy (MBE) and migration enhanced epitaxy (MEE). I use magneto-photoluminescence, including excitonic Aharonov-Bohm (AB) effect and polarized optical spectroscopy as the primary tools in this work. I present previous studies as well as the background of optical and magneto-optical processes in semiconductor nanostructures and introduce the experimental methods in Chapters 1 - 3. In Chapter 4 I focus on the excitonic AB effect in the type-II QDs. I develop a lateral tightly-bound exciton model for ZnTe/ZnSe type-II QDs, using analytical methods and numerical calculations. This explained the magneto-PL observation and allowed for establishing the size and density of the QDs in each sample based on the results of PL and magneto-PL measurements. For samples with larger QDs, I observe behaviors that fall between properties of quantum-dot and quantum-well-like systems due to increased QD densities and their type-II nature. Finally, the decoherence mechanisms of the AB excitons are investigated via the temperature dependent studies of the magneto-PL. It is determined that the AB exciton decoherence is due to transport-like (acoustic phonon) scattering of the electrons moving in the ZnSe barriers, but with substantially smaller magnitude of electron-phonon coupling constant due to relatively strong electron-hole coupling within these type-II QDs. In Chapter 5 I discuss the results of circularly polarized magneto-PL measurements. A model with ultra-long spin-flip time of holes confined to submonolayer QDs is proposed. The g-factor of type-II excitons was extracted from the Zeeman splitting and the g-factor of electrons was obtained by fitting the temperature dependence of the degree of circular polarization (DCP), from which g-factor of holes confined within ZnTe QDs was found. It is shown

ARPES Study on the Strongly Correlated Iron Chalcogenides Fe1+ySexTe1-x

NASA Astrophysics Data System (ADS)

Liu, Zhongkai

2014-03-01

The level of electronic correlation has been one of the key questions in understanding the nature of iron-based superconductivity. Using Angle Resolved Photoemission Spectroscopy (ARPES), we systematically investigated the correlation level in the iron chalcogenide family Fe1+ySexTe1-x. For the parent compound Fe1.02Te, we discovered ``peak-dip-hump'' spectra with heavily renormalized quasiparticles in the low temperature antiferromagnetic (AFM) state, characteristic of coherent polarons seen in other correlated materials with complex electronic and lattice interactions. As the temperature (or Se ratio x) increases and Fe1.02SexTe1-x is in the paramagnetic (PM) phase, we observed dissociation behavior of polarons, suggestive of connection between the weakening electron-phonon coupling and AFM. Further increase of x leads to an incoherent to coherent crossover in the electronic structure, indicating a reduction in the electronic correlation as the superconductivity emerges. Furthermore, the reduction of the electronic correlation in Fe1+ySexTe1-x evolves in an orbital-dependent way, where the dxy orbital is influenced most significantly. At the other end of the phase diagram (FeSe) where the single crystal is not stable, we have studied the MBE-grown thin film which also reveals orbital-dependent strong correlation in the electronic structure. Our findings provide a quantitative comprehension on the correlation level and its evolution on the phase diagram of Fe1+ySexTe1-x. We discuss the physical scenarios leading to strong correlations and its connection to superconductivity.

PbSnTe:In compound: Electron capture levels, galvanomagnetic properties, and THz sensitivity

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

Ishchenko, D. V., E-mail: miracle4348@gmail.com; Klimov, A. E.; Shumsky, V. N.

A model of the Pb{sub 1–x}Sn{sub x}Te:In compound, based on concepts of the theory of disordered systems is considered. The temperature dependences of the Fermi-level position and carrier concentration are calculated depending on the indium doping level and are compared with experimental data. The transient current–voltage characteristics are calculated in the mode of injection from the contact and current limitation by space charge at various voltage-variation rates. The data obtained are compared with the experiments. It is demonstrated that the shape of the characteristics is controlled by the parameters of electron capture at localized states. Photocurrent relaxation in a magneticmore » field is studied, and the mechanism of such relaxation is discussed under the assumption of the magnetic freezing of carriers.« less

Two-dimensional pentagonal CrX (X = S, Se or Te) monolayers: antiferromagnetic semiconductors for spintronics and photocatalysts.

PubMed

Chen, Wenzhou; Kawazoe, Yoshiyuki; Shi, Xingqiang; Pan, Hui

2018-06-25

Two dimensional (2D) materials with hexagonal building blocks have received tremendous interest in recent years and show promise as nanoscale devices for versatile applications. Herein, we propose a new family of 2D pentagonal CrX (X = S, Se or Te) monolayers (penta-CrX) for applications in electronics, spintronics and photocatalysis. We find that the 2D penta-CrX monolayers are thermally, structurally and mechanically stable. The penta-CrX monolayers are antiferromagnetic and semiconducting. We show that the magnetism is attributed to the super-exchange induced by the ionic interactions between the Cr and X atoms and can be enhanced upon applying tension. We further show that the penta-CrS and penta-CrSe monolayers show good redox potentials versus a normal hydrogen electrode, and their band gaps are comparable to the energy of a photon in the visible light region, indicating their capability of maximal utilization of solar energy for water splitting. With intrinsic semiconducting and controllable magnetic properties, the proposed penta-CrX monolayers may hold promise as flexible spintronics and photocatalysts.

Applied research on 2-6 compound materials for heterojunction solar cells

NASA Technical Reports Server (NTRS)

Bube, R. H.

1975-01-01

Several II-VI heterojunctions show promise for photovoltaic conversion of solar energy. The three of greatest interest are p-CdTe/n-CdS, p-CdTe/n-ZnSe, and p-ZnTe/n-CdSe. Several p-CdTe/n-CdS heterojunction cells have been prepared by close spaced transport deposition of p-CdTe on single crystal n-CdS, and by two source vacuum evaporation of n-CdS on single crystal p-CdTe. Both types of cells, in an experimental stage, are quite comparable, exhibiting values of quantum efficiency between 0.5 and 0.9, open circuit voltages between 0.50 and 0.66 V, fill factors between 0.4 and 0.6, and solar efficiencies up to 4 percent. Cells of p-ZnTe/n-CdSe have also been made by close spaced vapor transport deposition of n-CdSe on single crystal p-ZnTe.

Rhombohedral to Cubic Conversion of GeTe via MnTe Alloying Leads to Ultralow Thermal Conductivity, Electronic Band Convergence, and High Thermoelectric Performance.

PubMed

Zheng, Zheng; Su, Xianli; Deng, Rigui; Stoumpos, Constantinos; Xie, Hongyao; Liu, Wei; Yan, Yonggao; Hao, Shiqiang; Uher, Ctirad; Wolverton, Chris; Kanatzidis, Mercouri G; Tang, Xinfeng

2018-02-21

In this study, a series of Ge 1-x Mn x Te (x = 0-0.21) compounds were prepared by a melting-quenching-annealing process combined with spark plasma sintering (SPS). The effect of alloying MnTe into GeTe on the structure and thermoelectric properties of Ge 1-x Mn x Te is profound. With increasing content of MnTe, the structure of the Ge 1-x Mn x Te compounds gradually changes from rhombohedral to cubic, and the known R3m to Fm-3m phase transition temperature of GeTe moves from 700 K closer to room temperature. First-principles density functional theory calculations show that alloying MnTe into GeTe decreases the energy difference between the light and heavy valence bands in both the R3m and Fm-3m structures, enhancing a multiband character of the valence band edge that increases the hole carrier effective mass. The effect of this band convergence is a significant enhancement in the carrier effective mass from 1.44 m 0 (GeTe) to 6.15 m 0 (Ge 0.85 Mn 0.15 Te). In addition, alloying with MnTe decreases the phonon relaxation time by enhancing alloy scattering, reduces the phonon velocity, and increases Ge vacancies all of which result in an ultralow lattice thermal conductivity of 0.13 W m -1 K -1 at 823 K. Subsequent doping of the Ge 0.9 Mn 0.1 Te compositions with Sb lowers the typical very high hole carrier concentration and brings it closer to its optimal value enhancing the power factor, which combined with the ultralow thermal conductivity yields a maximum ZT value of 1.61 at 823 K (for Ge 0.86 Mn 0.10 Sb 0.04 Te). The average ZT value of the compound over the temperature range 400-800 K is 1.09, making it the best GeTe-based thermoelectric material.

Anomalous pressure dependence of thermal conductivities of large mass ratio compounds

DOE PAGES

Lindsay, Lucas R; Broido, David A.; Carrete, Jesus; ...

2015-03-27

The lattice thermal conductivities (k) of binary compound materials are examined as a function of hydrostatic pressure P using a first-principles approach. Compound materials with relatively small mass ratios, such as MgO, show an increase in k with P, consistent with measurements. Conversely, compounds with large mass ratios (e.g., BSb, BAs, BeTe, BeSe) exhibit decreasing with increasing P, a behavior that cannot be understood using simple theories of k. This anomalous P dependence of k arises from the fundamentally different nature of the intrinsic scattering processes for heat-carrying acoustic phonons in large mass ratio compounds compared to those with smallmore » mass ratios. We find this work demonstrates the power of first principles methods for thermal properties and advances the understanding of thermal transport in non-metals.« less

Copper Selenidophosphates Cu4P2Se6, Cu4P3Se4, Cu4P4Se3, and CuP2Se, Featuring Zero-, One-, and Two-Dimensional Anions.