Search results for "Antimony"
showing 10 items of 163 documents
Density functional simulations of structure and polymorphism in Ga/Sb films.
2013
Thin films of gallium/antimony alloys are promising candidates for phase change memories requiring rapid crystallization at high crystallization temperatures. Prominent examples are the stoichiometric form GaSb and alloys near the eutectic composition GaSb(7), but little is known about their amorphous structures or the differences between the 'as-deposited' (AD) and 'melt-quenched' (MQ) forms. We have generated these structures using 528-atom density functional/molecular dynamics simulations, and we have studied in detail and compared structural parameters (pair distribution functions, structure factors, coordination numbers, bond and ring size distributions) and electronic properties (dens…
Structure and properties of CoMnSb in the context of half-metallic ferromagnetism
2006
Although its X-ray powder diffraction patterns show a superstructure, the compound CoMnSb, like the well-known half-Heusler alloy NiMnSb, is often referred to the category of half-metallic ferromagnets with $C{1}_{b}$ structure. Our study assigns CoMnSb to space group $Fm\overline{3}m$. The crystal structure of CoMnSb can be represented as an alternation of ${\mathrm{Co}}_{2}\mathrm{Mn}\mathrm{Sb}$ and MnSb structural units, and, in contrast to NiMnSb, displays three Mn and two Sb positions in the elementary cell. The presence of nonequivalent antimony and manganese positions was verified using NMR and M\"ossbauer spectroscopic measurements. Band-structure calculations based on a proposed s…
Two-Dimensional Antimony Oxide
2020
Two-dimensional (2D) antimony, so-called antimonene, can form antimonene oxide when exposed to air. We present different types of single- and few-layer antimony oxide structures, based on density functional theory (DFT) calculations. Depending on stoichiometry and bonding type, these novel 2D layers have different structural stability and electronic properties, ranging from topological insulators to semiconductors with direct and indirect band gaps between 2.0 and 4.9 eV. We discuss their vibrational properties and Raman spectra for experimental identification of the predicted structures.
Thermoelectric properties of spark-plasma sintered nanoparticular FeSb2prepared via a solution chemistry approach
2013
Nanoparticular FeSb2 was prepared in solution from cyclopentadienyl iron(ii) dicarbonyl dimer [Fe(Cp(CO)2)]2 and antimony nanoparticles. Spark plasma sintering was used as consolidation method to maintain the particle size. The thermoelectric performance of FeSb2 is limited by its high thermal conductivity. In this work, the thermal conductivity was suppressed by nearly 80% compared to the bulk value by introducing grain boundary scattering of phonons on the nanoscale. The thermoelectric properties of the consolidated FeSb2 emphasize the possibility of altering thermal transport of promising thermoelectric compounds by phonon scattering by engineering the interfaces at the nanoscale.
Dielectric investigation of sodium potassium niobate ceramic doped 7% of antimony
2012
Abstract Electric properties of sodium potassium niobate ceramic doped antimony (Na0.5K0.5)(Nb0.93Sb0.07)O3 with sintering aid MnO2 (0.5 mol% MnO2) (KNNSbx + 0.5Mn) were investigated in a broad frequency (from 1 Hz to 54 GHz) and temperature (from 110 K to 800 K) ranges. The mean relaxation times calculated from the dielectric permittivity measurements fulfill Arrhenius relationship with dipole activation energy EA = 3409 K (EA/kB = 0.29 eV). The DC conductivity has been extracted from experimental results and the activation energy was calculated EA = 11733.78 K (EA/kB = 1.011 eV).
Inverse-voltammetric determination of bismuth in biomaterials with computer assisted peak evaluation
1988
The inverse-voltammetric determination of low bismuth concentrations in a 1 mol/l HCl as supporting electrolyte was investigated with regard to optimal working conditions. New and old types of mercury-drop electrodes and mercury-film electrodes were compared concerning their sensibility, selectivity and interferences. With both electrodes the determination of 0.1 μg/l to 0.01 μg/l bismuth is possible. The influence of a large excess of copper and antimony on the inverse-voltammetric determination of bismuth was studied in detail.
Thickness-dependent properties of ultrathin bismuth and antimony chalcogenide films formed by physical vapor deposition and their application in ther…
2021
This work was supported by the European Regional Development Fund (ERDF) project No 1.1.1.1/16/A/257. J. A. acknowledges the ERDF project No. 1.1.1.2/1/16/037. Institute of Solid State Physics, University of Latvia, Latvia as the Center of Excellence has received funding from the European Union's Horizon 2020 Framework Programme H2020-WIDESPREAD-01-2016-2017 TeamingPhase2 under grant agreement No. 739508, project CAMART2 . The raw/processed data required to reproduce these findings cannot be shared at this time as the data also form a part of an ongoing study.
ZnS Ultrathin interfacial layers for optimizing carrier management in Sb2S3-based photovoltaics
2021
Antimony chalcogenides represent a family of materials of low toxicity and relative abundance, with a high potential for future sustainable solar energy conversion technology. However, solar cells based on antimony chalcogenides present open-circuit voltage losses that limit their efficiencies. These losses are attributed to several recombination mechanisms, with interfacial recombination being considered as one of the dominant processes. In this work, we exploit atomic layer deposition (ALD) to grow a series of ultrathin ZnS interfacial layers at the TiO2/Sb2S3 interface to mitigate interfacial recombination and to increase the carrier lifetime. ALD allows for very accurate control over th…
NQR/NMR and Mössbauer spectroscopy of sulfides: potential and versatility
2013
Nuclear quadrupole resonance (NQR), nuclear magnetic resonance (NMR) and nuclear gamma-resonance (NGR or Mossbauer Effect) methods are generally described as highly sensitive tools in studies of local electronic structure and symmetry in solid-state materials. This is due to high informativity in electronic structure investigations, high resolution in phase-structural diagnostics (down to nano-scale), possibility to study polycrystalline and complex compounds, and to the non-destructive character of these methods. As applied to Earth sciences, both NQR/NMR and Mossbauer spectroscopy methods contribute to mineralogical material science and mineral physics. Another important aspect is the fac…
Dielectric properties of solutions of antimony (III) halides in methanol
1993
The complex permittivities obtained by time domain reflectometry (TDR) measurements in the frequency range 0.1–15 GHz are reported for solutions of SbF3, SbCl3 and SbBr3 in methanol at 25°C. By increasing the concentration of the solutes, a marked increase of the main relaxation time and of the static permittivity of methanol is observed. These effects have been attributed to the ability of antimony (III) halides to strengthen the hydrogen bonding in methanol and to promote the shift of the dynamic equilibria among the various populations of hydrogen bonded methanol aggregates toward those characterized by a parallel orientation of neighboring dipoles. A second relaxation, occurring at low …