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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Discovery of Ternary Antimonides A–Al–Sb (A = Rb or Cs) with Desired Structural Motifs Guided by Machine Learning

Specific structural motifs in inorganic solids are often related to their targeted physical properties. For many classes of solids, such as Zintl phases and polar intermetallics, the crystal structures are diverse and not easy to predict. Various antimonides that are potential thermoelectric materials were proposed to be synthesizable on the basis of their estimated formation energies. Their structures were broadly classified as clathrate, channel, layered, or network through a machine learning model trained on existing ternary phases and features based on elemental properties using the sure independence screening and sparsifying operator algorithm. Through experimental validation, three new ternary antimonides were synthesized and confirmed to form layered structures: tetragonal RbAlSb 2 and CsAlSb 2 , which are isopointal but not isotypic to LiBSi 2 ; and monoclinic Rb 2 Al 2 Sb 3 , which adopts the Na 2 Al 2 Sb 3 -type structure. Finally, reinvestigation of the related compound Cs 2 In 2 Sb 3 revealed a low thermal conductivity and p-type semiconducting behavior.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Enhanced quantum efficiency from optical interference in alkali antimonide photocathodes: Modeling and experimental results

We present measurements of enhanced quantum efficiency (QE) in thin film alkali antimonide photocathodes from optical interference in the cathode-substrate multilayer. Modulations in the spectral response are observed over a range of visible wavelengths and are shown to increase the QE by more than a factor of two at specific wavelengths. We present a model describing the QE modulations based on the three step photoemission process incorporating cases of both constant density of states and density functional theory-derived density of states and show that the calculated results are in good agreement with the measurements. Model predictions demonstrate that QE can be enhanced by more than a factor of 5 by optimization of cathode and substrate layer thicknesses. Additionally, these calculations reveal that optical interference can yield higher quantum efficiencies in thin films compared to thick, optically dense films. We model the QE vs excitation wavelength of multiple alkali antimonide compounds at different thicknesses. We then discuss the advantages of this interference effect for electron accelerators.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

Probing the origin of extreme magnetoresistance in Pr/Sm mono-antimonides/bismuthides

Combining angle-resolved photoemission spectroscopy and magnetotransport measurements, we systematically investigated the possible origin of the extreme magnetoresistance in Pr/Sm mono-antimonides/bismuthides (PrSb, SmSb, PrBi, SmBi). Our photoemission measurements reveal that the bulk band inversion and surface states are absent (present) in Pr/Sm antimonides (bismuthides), implying that topological surface states are unlikely to play an important role for the observed extreme magnetoresistance. We found that the electron- hole compensation is well satisfied in all these compounds and the bulk band structure exhibits no obvious temperature dependence from 10 up to 150 K. Simultaneous fittings of the magnetoresistance and Hall coefficient reveal that the carrier mobility is dramatically enhanced at low temperature, which naturally explains the suppression of extreme magnetoresistance at high temperatures. Our results therefore show that the extreme magnetoresistance in these compounds can be well accounted for by the two-band model with good electron-hole compensation. Lastly, we found that both PrSb and SmSb exhibit highly linear bulk bands near the X point and lie close to the transition point between a topologically trivial and nontrivial phase, which might be relevant for the observed anomalous quantum oscillations.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ba5Sb8: The Highest Homologue of the Family of Binary Semiconducting Barium Antimonides BanSb2n−2 (n ≥ 2)

A novel binary compound within the Ba–Sb phase diagram, Ba5Sb8, was synthesized by combining elements with an excess of Sb in an alumina crucible. Structural elucidation was performed using single-crystal X-ray diffraction. This compound crystallizes in the orthorhombic space group Fdd2 with unit cell parameters of a = 15.6568(13) Å, b = 35.240(3) Å, c = 6.8189(6) Å, adopting its own structure type. The most distinctive features of the structure are the eight-membered [Sb8]10− polyanionic fragments which have no known precedents among antimonides. They are separated by five Ba2+ cations, which afford the charge balance and enable adherence to the Zintl–Klemm formalism. Ba5Sb8 is the highest known member of the homologous series within the family of barium antimonides BanSb2n−2 (n ≥ 2), all of which boast anionic substructures with oligomeric moieties of pnictogen atoms with varied lengths and topologies. Electronic structure calculations indicate an indirect narrow bandgap of ca. 0.45 eV, which corroborates the valence-precise chemical bonding in Ba5Sb8.

Samarakoon, S. M. Gayomi K.↗
DOE OSTI2022

Physically and chemically smooth cesium-antimonide photocathodes on single crystal strontium titanate substrates

The performance of x-ray free electron lasers and ultrafast electron diffraction experiments is largely dependent on the brightness of electron sources from photoinjectors. Here, the maximum brightness from photoinjectors at a particular accelerating gradient is limited by the mean transverse energy (MTE) of electrons emitted from photocathodes. For high quantum efficiency (QE) cathodes like alkali-antimonide thin films, which are essential to mitigate the effects of non-linear photoemission on MTE, the smallest possible MTE and, hence, the highest possible brightness are limited by the nanoscale surface roughness and chemical inhomogeneity. In this work, we show that high QE Cs 3 Sb films grown on lattice-matched strontium titanate (STO) substrates have a factor of 4 smoother, chemically uniform surfaces compared to those traditionally grown on disordered Si surfaces. We perform simulations to calculate roughness induced MTE based on measured topographical and surface-potential variations on the Cs 3 Sb films grown on STO and show that these variations are small enough to have no consequential impact on the MTE and, hence, the brightness.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Electronic structure of rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) by X-ray photoelectron spectroscopy

The electronic structure of the ternary rare-earth chromium antimonides RECrSb{sub 3} (RE=La-Nd, Sm, Gd-Dy, Yb) has been examined by high-resolution X-ray photoelectron spectroscopy (XPS) for the first time. The RE 3d or 4d core-line spectra are substantially complicated by the presence of satellite peaks but their general resemblance to those of RE{sub 2}O{sub 3} tends to support the presence of trivalent RE atoms in RECrSb{sub 3}. However, the Yb 4d spectrum of YbCrSb{sub 3} also shows peaks that are characteristic of divalent ytterbium. The Cr 2p core-line spectra exhibit asymmetric lineshapes and little change in binding energy (BE) relative to Cr metal, providing strong evidence for electronic delocalization. The Sb 3d core-line spectra reveal slightly negative BE shifts relative to elemental antimony, supporting the presence of anionic Sb species in RECrSb{sub 3}. The experimental valence band spectrum of LaCrSb{sub 3} matches well with the calculated density of states, and it can be fitted to component peaks belonging to individual atoms to yield an average formulation that agrees well with expectations ('La{sup 3+}Cr{sup 3+}(Sb{sup 2-}){sub 3}'). On progressing from LaCrSb{sub 3} to NdCrSb{sub 3}, the 4f-band in the valence band spectra grows in intensity and shifts to higher BE. The valence band spectrum for YbCrSb{sub 3} also supports the presence of divalent ytterbium. - Graphical Abstract: In their valence band spectra, the 4f-band intensifies and shifts to higher BE on progressing from LaCrSb{sub 3} to NdCrSb{sub 3}. Highlights: Black-Right-Pointing-Pointer High-resolution core-line and valence band XPS spectra were measured for RECrSb{sub 3}. Black-Right-Pointing-Pointer Divalent Yb is present in YbCrSb{sub 3}, in contrast to trivalent RE in other members. Black-Right-Pointing-Pointer Asymmetric Cr 2p spectral lineshape confirms delocalization of Cr valence electrons. Black-Right-Pointing-Pointer Small negative Sb 3d BE shifts support assignment of anionic Sb atoms. Black-Right-Pointing-Pointer Fitted valence band spectra show shifts in the 4f band as RE is changed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Epitaxial aluminum layer on antimonide heterostructures for exploring Josephson junction effects

In this study, we present results of our recent work of epitaxially-grown aluminum (epi-Al) on antimonide heterostructures, where the epi-Al thin film is grown at either room temperature or below zero °C. A sharp superconducting transition at T ∼ 1.3 K is observed in these epi-Al films. We further show that supercurrent states are realized in Josephson junctions fabricated in the epi-Al/antimonide heterostructures with mobility μ ∼ 1.0 × 10 6 cm 2 /Vs. These results clearly demonstrate we have achieved growing high-quality epi-Al/antimonide heterostructures, a promising platform for the exploration of Josephson junction effects for quantum information science and microelectronics applications.

Antimonide heterostructures↗
DOE OSTI2012

Low frequency pressure modulation of indium antimonide

A lumped parameter resonator capable of generating megapascal pressures at low frequency (kilohertz) is described. Accelerometers are used to determine the applied pressure, and are calibrated with a piezoelectric sample. A laser diagnostic was also developed to measure the pressure in semiconductor samples through the band gap pressure dependence. In addition, the laser diagnostic has been used to measure the attenuation coefficient {alpha} of commercially available indium antimonide (InSb) wafers. The resonator and laser diagnostic have been used with InSb samples to verify the pressure response.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Inclusion of electronic polarizability effect in high pressure structural properties of alloy of rare-earth antimonides

In the present paper, we have investigated the high-pressure structural phase transition of rare-earth antimonides (NdSb and DySb). We studied theoretically the structural properties of alloy of these compounds (NdSb and DySb) by using the three-body potential model with the effect of electronic polarizability (TBIPE{sub P}). These compounds exhibit first order crystallographic phase transition from NaCl (B{sub 1}) to CsCl (B{sub 2}) phase at 17.8 GPa and 22.6 GPa respectively. The study has been extended to mixed crystals and the effect of composition on transition pressure and volume change is investigated. The phase transition pressures and associated volume collapse obtained from present potential model (TBIPE{sub P}) show a good agreement with available experimental data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Compositional analysis of dilute nitride doped indium antimonide bulk crystal by VDS technique

Dilute nitrides are suitable materials for fabrication of devices in detection of long wavelength infrared region. Dilute nitride doped Indium antimonide bulk crystals were grown using vertical directional solidification technique. The compositional characteristics of the crystals were carried out using EDS. The analysis was simulated and compared with observations using DTSA II software for accuracy. The ingots have uniform composition of Indium and Antimony. The actual nitrogen composition measured using EDS was 0.136% for doped nitrogen composition 0.1% except near conical end where it was 0.1%. The study of bonding between nitrogen, Indium and antimony was carried out using SIMS. The analysis shows strong presence of In-N bonding along with In-Sb bonds which indicates nitrogen has replaced antimony atoms in crystal lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Demonstration of thermal limit mean transverse energy from cesium antimonide photocathodes

The mean transverse energy (MTE) of electrons emitted from cathodes is a critical parameter that determines the brightness of electron beams for applications, such as x-ray free electron lasers, particle colliders, and ultrafast electron scattering experiments. Achieving a MTE close to the thermal limit is a key step toward realizing the full potential of electron sources in these applications. Cesium antimonide (Cs 3 Sb) is a technologically important material with a long history of use in photon detection and electron sources. The smallest MTE of electrons photoemitted from Cs 3 Sb has always been appreciably greater than the thermal limit and was attributed to surface non-uniformities. In this work, we present comprehensive measurements of the photoemission electron energy spectra (PEES), quantum efficiency, and MTE from Cs 3 Sb in a wide photoexcitation energy range from 1.5 to 2.3 eV. Our PEES measurements demonstrate a notably low photoemission threshold of around 1.5 eV, which is in contrast with the previously perceived threshold of 1.8–2.0 eV. Moreover, we show that the MTE at this threshold of 1.5 eV nearly converges to the thermal limit at 300 K. At 1.8 eV, the MTE measured is 40 meV, which is comparable to the previously reported value. Here, we conclude that this MTE value at 1.8 eV photon energy is not due to surface roughness effects as previously believed, but is a direct consequence of the excess energy.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

The effect of an excess of components on the electrical properties of indium-antimonide films

The causes of anomalous behavior of the Hall mobility of charge carriers as a result of a decrease in the measurement temperature from 300 K in indium-antimonide films obtained by the method of three temperatures are studied. It is shown experimentally that there exist drops in the “admissible” temperatures of evaporators of components and the substrate within which continuous conducting films are obtained. The optimal conditions for sample preparation for which the values of the mobility remain practically constant in the temperature range of 150–350 K are determined. On the basis of the comparison with optical-transmission spectra, it is concluded that there is a high concentration of defects in the films; these defects are related to deviation of the composition from stoichiometry and act as donor and acceptor centers. The presence of such defects makes it possible to explain the decrease in mobility in the films as the temperature is lowered.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Effect of spin-orbit interaction on the electronic structure of indium-antimonide d bands

The bands and densities of states of d bands in indium antimonide (InSb) are determined taking into account and disregarding the spin-orbit interaction. It is established that taking into account the effect of spin-orbit interaction results also in a substantial change in the dispersion of the obtained bands instead of only in the doublet splitting of the band of core d levels at ∼(0.79–0.86) eV. It is established that it is indium 4d states with e{sub g} and t{sub 2g} symmetry that give the main contribution to the density of states. The calculations are carried out by the LAPW method with the exchange-correlation potential in the generalized gradient approximation (LAPW + GGA)

36 MATERIALS SCIENCE↗
DOE OSTI2012

Structure and transport behavior of In-filled cobalt rhodium antimonide skutterudites

The effect of indium icosahedral void-site filling on the transport properties of cobalt and rhodium antimonide solid solutions is investigated. Co{sub 4-x}Rh{sub x}Sb{sub 12} and indium-filled In{sub 0.1}Co{sub 4-x}Rh{sub x}Sb{sub 12} solid solutions were synthesized. Partial rhodium substitution produces a distinct clustering-induced lattice strain that is partly relieved upon indium substitution into the skutterudite icosahedral void-sites. Indium lowers the thermal conductivity of all samples near room temperature. A distinct increase in thermal conductivity is observed in all indium-filled rhodium substituted samples at elevated temperatures and is attributed to bipolar thermal conductivity. In addition, the indium-filled samples were subjected to a 6-day heat treatment at 673 K. Void-site filled indium was found to be metastable at this temperature, and was found to partially precipitate during the 6-day heat treatment; thereby presenting concerns over the long-term stability of thermoelectric devices based on indium-filled skutterudites. - Graphical Abstract: Strain in the cobalt rhodium skutterudite solid solutions decreases upon indium filling. Highlights: Black-Right-Pointing-Pointer Unfilled and indium-filled cobalt and rhodium skutterudite solid solutions were synthesized. Black-Right-Pointing-Pointer Indium filling stabilizes the cobalt and rhodium skutterudite solid solutions. Black-Right-Pointing-Pointer The thermoelectric properties of all compositions are reported. Black-Right-Pointing-Pointer The thermal conductivity of rhodium-rich compositions is strongly affected by indium filling. Black-Right-Pointing-Pointer Void-site filled indium was found to be metastable.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Strongly Confined Bismuth Antimonide Quantum Dots

Bismuth antimonide (Bi 1−x Sb x ) has emerged as a highly promising material for quantum applications due to its complex band structure. In this study, spherical Bi 1−x Sb x quantum dots (QDs), with a diameter of around 8 ± 2 nm, were successfully synthesized by pulsed laser ablation in liquids. The energy bandgap was determined at 2.02 ± 0.27 eV, which is significantly higher than the bulk value (∼0.025 eV). The strong confinement nature of the dots was confirmed by the Raman peak shifts. The chemical composition of the Bi 1−x Sb x QDs was measured to be around 77 ± 2 at. % of Bi and 23 ± 2 at. % of Sb. The colloid containing the Bi 1−x Sb x QDs was classified as highly stable, displaying a zeta potential of −38 ± 18 mV. Finally, the Bi 1−x Sb x QDs exhibited an electron spin resonance (ESR) signal at room temperature and at cryogenic temperature (4.2 K); consequently, revealing the presence of paramagnetic states.

Alloys↗
DOE OSTI2017

Rb based alkali antimonide high quantum efficiency photocathodes for bright electron beam sources and photon detection applications

In this paper, high quantum efficiency alkali antimonide photocathodes have been grown over both stainless steel and glass substrates using sequential evaporation of Sb, K, Rb, and Cs. Quantum efficiencies well above 25% have been measured at 400 nm. Finally, a bi-alkali Rb-K-Sb photocathode grown on a stainless steel substrate has been installed in a high voltage DC gun at Cornell University and the intrinsic electron beam emittance was measured at different photon energies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Synthesis and x-ray characterization of sputtered bi-alkali antimonide photocathodes

Advanced photoinjectors, which are critical to many next generation accelerators, open the door to new ways of material probing, both as injectors for free electron lasers and for ultra-fast electron diffraction. For these applications, the nonuniformity of the electric field near the cathode caused by surface roughness can be the dominant source of beam emittance. Therefore, improving the photocathode roughness while maintaining quantum efficiency is essential to the improvement of beam brightness. Here in this article, we report the demonstration of a bi-alkali antimonide photocathode with an order of magnitude improved roughness by sputter deposition from a K 2 CsSb sputter target, using in situ and operando X-ray characterizations. We found that a surface roughness of 0.5 nm for a sputtered photocathode with a final thickness of 42 nm can be achieved while still yielding a quantum efficiency of 3.3% at 530 nm wavelength.

36 MATERIALS SCIENCE↗