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Nuclear Data Sheets for A = 121

The 2000 Nuclear Data Sheets for A = 121 by T. Tamura, with literature cutoff date of July 1,1999 has been updated. The experimental results from various decays and reactions for A=121 mass chain have been compiled and evaluated. The nuclides covered in this evaluation are from {sup 121}Rh to {sup 121}Pr. The data are summarized and presented, together with adopted level schemes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Hydrothermal synthesis and {sup 121}Sb Moessbauer characterization of perovskite-type oxides: Ba{sub 2}SbLnO{sub 6} (Ln = Pr, Nd, Sm, Eu)

A mild hydrothermal process to prepare Ba{sub 2}SbLnO{sub 6} (Ln = Pr, Nd, Sm, Eu) perovskite-type oxides are presented. These perovskites were characterized on the basis of X-ray diffraction (XRD), X-ray photoelectron spectra (XPS), inductively-coupled plasma spectra (ICP) techniques. Primary structure was confirmed using Rietveld method based on XRD data shows that the likely space groups of Ba{sub 2}SbLnO{sub 6} are R-3 for Ln = Pr and Nd and F{sub m}-3{sub m} for Ln = Sm and Eu, respectively. The measurement of Moessbauer effect of the 37.2 keV {gamma} transition of {sup 121}Sb indicates that the isomer shift of these perovskites falls in the region of the Sb{sup 5+} and reflects some hybridized-orbital behavior in Sb-O bonds.

36 MATERIALS SCIENCE↗

From Ag{sub 2}Sb{sub 2}O{sub 6} to Cd{sub 2}Sb{sub 2}O{sub 7}: Investigations on an anion-deficient to ideal pyrochlore solid solution

A complete solid solution between the anion-deficient pyrochlore Ag{sub 2}Sb{sub 2}O{sub 6} and the ideal pyrochlore Cd{sub 2}Sb{sub 2}O{sub 7} has been synthesized through the standard solid state ceramic method. Each composition has been characterized by various different techniques, including powder X-ray diffraction, optical spectroscopy, electron paramagnetic resonance and {sup 121}Sb Mössbauer spectroscopy. Computational methods based on density functional theory complement this investigation. Photocatalytic activity has been studied, and transport properties have been measured on pellets densified by spark plasma sintering. The analysis of the data collected from these various techniques enables a comprehensive characterization of the complete solid solution and revealed an anomalous behavior in the Cd-rich end of the solid solution, which has been proposed to arise from a possible radical O{sup −} species in small concentrations. - Graphical abstract: A complete solid solution between the anion-deficient pyrochlore Ag{sub 2}Sb{sub 2}O{sub 6} and the ideal pyrochlore Cd{sub 2}Sb{sub 2}O{sub 7} has been synthesized and investigated through various techniques including X-ray diffraction, electron paramagnetic spectroscopy, and {sup 121}Sb-Mössbauer spectroscopy. Optical and electrical measurements have been performed, and computational methods have been applied to determine the density of states. Photocatalytic activity was monitored by the degradation of Methylene Blue, and upon cadmium substitution, the degradation amount decreased, which is attributed primarily to the changing optical and electrical properties of the solid solution. Display Omitted - Highlights: • A complete solid solution between Ag{sub 2}Sb{sub 2}O{sub 6} and Cd{sub 2}Sb{sub 2}O{sub 7} has been synthesized. • XRD reveals a relatively constant lattice parameter as the series progresses. • Optical and electrical properties have been measured for the solid solution. • Computational methods have been used to determine the density of states. • Photocatalytic degradation of Methylene Blue decreased upon cadmium substitution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural transformations in amorphous ↔ crystalline phase change of Ga-Sb alloys

Ga-Sb alloys with compositions ranging between ∼12 and 50 at. % Ga are promising materials for phase change random access memory applications. The short-range structures of two such alloys with compositions Ga{sub 14}Sb{sub 86} and Ga{sub 46}Sb{sub 54} are investigated, in their amorphous and crystalline states, using {sup 71}Ga and {sup 121}Sb nuclear magnetic resonance spectroscopy and synchrotron x-ray diffraction. The Ga and Sb atoms are fourfold coordinated in the as-deposited amorphous Ga{sub 46}Sb{sub 54} with nearly 40% of the constituent atoms being involved in Ga-Ga and Sb-Sb homopolar bonding. This necessitates extensive bond switching and elimination of homopolar bonds during crystallization. On the other hand, Ga and Sb atoms are all threefold coordinated in the as-deposited amorphous Ga{sub 14}Sb{sub 86}. Crystallization of this material involves phase separation of GaSb domains in Sb matrix and a concomitant increase in the Ga coordination number from 3 to 4. Results from crystallization kinetics experiments suggest that the melt-quenching results in the elimination of structural “defects” such as the homopolar bonds and threefold coordinated Ga atoms in the amorphous phases of these alloys, thereby rendering them structurally more similar to the corresponding crystalline states compared to the as-deposited amorphous phases.

36 MATERIALS SCIENCE↗

Electron density distribution in BaPb{sub 1-x}Sb{sub x}O{sub 3} superconducting oxides studied by double nuclear magnetic resonance methods

The effect of charge disorder on the formation of an inhomogeneous state of the electron system in the conduction band in BaPb{sub 1-x}Sb{sub x}O{sub 3} superconducting oxides is investigated experimentally by NMR methods. The NMR spectra of {sup 17}O are measured systematically, and the contributions from {sup 17}O atoms with different cation nearest surroundings are identified. It is found that microscopic regions with an elevated spin density of charge carriers are formed within two coordination spheres near antimony ions. Nuclei of the superconducting phase of the oxide (regions with an elevated antimony concentration) microscopically distributed over the sample are detected in compounds with x = 0.25 and 0.33. Experiments in which a double resonance signal of the spin echo of {sup 17}O-{sup 207}Pb and {sup 17}O-{sup 121}Sb are measured in the metal phase of BaPb{sub 1-x}Sb{sub x}O{sub 3} oxides are carried out for the first time. The constants of indirect heteronuclear spin-spin {sup 17}O-{sup 207}Pb interaction are determined as functions of the local Knight shift {sub 207}Ks. The estimates of the constants of the indirect interaction between the nuclei of the nearest neighbors (O-Pb and Pb-Pb atoms) and analysis of evolution of the NMR spectra of {sup 17}O upon a change in the antimony concentration are convincing evidence in favor of the development of a microscopically inhomogeneous state of the electron system in the metal phase of BaPb{sub 1-x}Sb{sub x}O{sub 3} oxides.

36 MATERIALS SCIENCE↗

Atomic Structure, Dynamics, Changes in Chemical Bonding and Semiconductor-Metal Transition in Sb 2 Se 3 : A Remarkable Material for Quantum Networks and Energy Applications

Antimony sesquiselenide has become an outstanding functional material for photovoltaics, energy storage and transformation, memory and photonic applications. Sb 2 Se 3 is one of the most successful emerging solar light absorbers and has also been identified as a highly promising ultralow-loss phase-change material (PCM) for next-generation coherent nanophotonic processors, photonic tensor cores, quantum and neuromorphic networks. Unlike benchmark telluride PCMs, Sb 2 Se 3 features a quasi-one-dimensional (1D) crystalline structure consisting of (Sb 4 Se 6 ) ∞ ribbons, lacks the typical PCM chemical bonding, and undergoes an extended semiconductor-metal transition above the melting point. Consequently, the origin of high optical contrast between crystalline (SET) and amorphous (RESET) logic states remains elusive and presents a significant challenge. Using high-energy X-ray diffraction and Raman spectroscopy over a wide temperature range, supported by first-principles simulations and complemented by thermal, optical and electrical measurements, as well as by 121 Sb-Mossbauer spectroscopy, the quasi-1D network of orthorhombic antimony sesquiselenide was found to undergo significant evolution in amorphous and supercooled Sb 2 Se 3 , leading to lower coordination, shorter interatomic distances and a higher p-electron density on antimony, indicating changes in chemical bonding. The observed novel Sb 2 Se 3 nanocrystalline polymorph, characterized by trigonal antimony coordination and more isolated Sb-Se ribbons, could help reduce multiple trapping defect states in the bandgap, which are typical of orthorhombic Sb 2 Se 3 , thereby enhancing the power-conversion efficiency of photovoltaic devices. Semimetallic and metallic liquid Sb 2 Se 3 exhibit a gradual transformation into a denser 2D and/or 3D network with higher antimony coordination. Localized electron states in the pseudogap are becoming extended, leading to an increase in electronic conductivity σ following the relationship σ ∝ N(E F ) 2 . Liquid Sb 2 Se 3 also appears to be strongly fragile, with a nonmonotonic change in viscosity and higher atomic mobility in the metallic liquid. Furthermore, these results explain extraordinary functionalities of Sb 2 Se 3 for photonic and energy applications.

antimony↗

Antimony and silicon environments in antimony silicate glasses

Antimony silicate glasses, of general formula xSb{sub 2}O{sub 3}.(1-x)SiO{sub 2} (0.1{<=}x{<=}0.78), have been prepared by melt-quenching and their structures studied using {sup 29}Si MAS NMR spectroscopy, {sup 121}Sb Moessbauer spectroscopy and Raman spectroscopy. Oxidation during melting gives rise to Sb{sup 5+} in concentrations, which increase linearly with x to give a value of {approx}10% when x=0.78. {sup 121}Sb Moessbauer spectra show Moessbauer shifts and quadrupole splittings consistent with Sb{sup 3+} in a [:SbO{sub 3}] trigonal pyramid, similar to that in crystalline Sb{sub 2}O{sub 3}. A broad band in the Raman spectrum at {approx}410 cm{sup -1} is due to the vibrations of such a unit. The dependence of the silicon Q{sup n} speciation on x can be interpreted by the formation of Sb-O-Sb links possibly to form rings of 4 [:SbO{sub 3}] units such as are found in valentinite. - Graphical abstract: Antimony silicate glasses have been shown to contain Sb{sup 3+} in [:SbO{sub 3}] trigonal pyramid units using {sup 121}Sb Moessbauer spectroscopy and Raman spectroscopy. {sup 29}Si magic-angle-spinning NMR has shown silicon Q{sup n} speciation which can be interpreted as formation of rings of 4 [:SbO{sub 3}] units such as are found in valentinite.

36 MATERIALS SCIENCE↗

The Electrochemical Sodiation of Sb Investigated by Operando X-ray Absorption and 121 Sb Mössbauer Spectroscopy: What Does One Really Learn?

In this study, we want to highlight the assets and restrictions of X-ray absorption spectroscopy (XAS) and Mössbauer spectroscopy for investigating the mechanism of the electrochemical reaction of antimony electrode materials vs. Na. For this, operando XAS was carried out during the first one and a half cycles, and the whole set of measured data was analysed using a statistical-chemometric approach, while low temperature Mössbauer spectroscopy measurements were carried out ex situ on selected samples stopped at different points of the electrochemical reaction. Complementary ab initio calculations were performed to support the experimental findings. Both techniques show that, upon the first sodiation, most Sb reacts with Na to form disordered Na 3 Sb. This step is accompanied by the formation of amorphous Sb as an intermediate. Upon inversion of the current Na 3 Sb is desodiated and an amorphous Sb phase, distinct from the pristine bulk Sb state, is gradually formed. However, both XAS and Mössbauer spectroscopy were unable to spot the formation of intermediate Na x Sb phases, which were evinced in previous works by operando Pair Distribution Function analyses. The results shown here clearly assign such failure to the intrinsic inability of both techniques to identify these intermediates.

36 MATERIALS SCIENCE↗

Investigation on the electrical transport properties of highly (00l)-textured Sb{sub 2}Te{sub 3} films deposited by molecular beam epitaxy

Highly (00l)-textured antimony telluride films were fabricated using molecular beam epitaxy (MBE) on Si (111) substrate at 280 °C. X-ray diffraction analysis implying the samples have good crystalline quality, simultaneously, the grain sizes coarsening with increasing thickness. The results of Hall coefficient measurement demonstrated that the carrier concentration and mobility are strongly affected by grain boundaries and microcrystalline internal defects. It was found that the grain boundaries play a primary factor influencing the carrier concentration in thinner film. At room temperature, the results in a maximum mobility value of 305 cm{sup 2}/Vs for 121-nm-thick film, and the electrical conductivity increased from 425.7 S/cm to 1036 S/cm as the thickness varied from 28 nm to 121 nm. In the range of room temperature to 150 °C, the resistivity almost linearly increased with increasing temperature. This may be explained by low concentration of impurities or defects and shallow impurity band. For difference thickness films, temperature coefficients of resistivity are substantially equal, and the values are about 3 ∼ 4 μΩ⋅cm/K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The reaction mechanism of SnSb and Sb thin film anodes for Na-ion batteries studied by X-ray diffraction, 119 Sn and 121 Sb Mössbauer spectroscopies

The electrochemical reaction of Sb and SnSb anode materials with Na results in the formation of amorphous materials. To understand the resulting phases and electrochemical capacities we studied the reaction products local order using 119 Sn and 121 Sb Mössbauer spectroscopies in conjunction with measurements performed on model powder compounds of Na-Sn and Na-Sb to further clarify the reactions steps. For pure Sb the discharge (sodiation) starts with the formation of an amorphous phase composed of atomic environments similar to those found in NaSb, and proceeds further by the formation of environments similar to that present in Na 3 Sb. The reversible reaction takes place during a large portion of the charge process. At full charge the anode material still contains a substantial fraction of Na, which explains the lack of recrystallization into crystalline Sb. The reaction of SnSb yields Na 3 Sb crystalline phase at full discharge at higher temperatures (65 and 95°C) while the room temperature reaction yields amorphous compounds. The electrochemically-driven, solid-state amorphization reaction occurring at room temperature is governed by the simultaneous formation of Na-coordinated Sn and Sb environments, as monitored by the decrease (increase) of the 119 Sn ( 121 Sb) Mössbauer isomer shifts. Overall, the monitoring of the hyperfine parameters enables to correlate the changes in Na content to the individual Sn and Sb local chemical environments.

25 ENERGY STORAGE↗

Resistivity distribution and donor properties of antimony-doped n -type Czochralski silicon ingots

We investigate antimony (Sb)-doped Czochralski-grown silicon as an alternative n-type substrate for photovoltaic applications, and characterize their axial resistivity distribution, donor properties, and mechanical strength. We find that Sb-doped ingots can achieve a more uniform resistivity distribution along the axial direction compared to P-doped counterparts. Dopant concentration profiles in P-doped ingots can be accurately modelled using the standard Scheil's equation, accounting only for dopant segregation during solidification. In contrast, modelling Sb-doped ingots requires consideration of both dopant segregation and evaporation effects to fit the dopant distribution accurately. Using electron paramagnetic resonance spectroscopy at 9 K, we observe two hyperfine lines in P-doped samples, and six hyperfine lines for Sb 121 and eight for Sb 123 isotopes, with the number of hyperfine lines governed by the nuclear spins. We further identify two-atom Sb clustering in the Sb-doped wafers, confirmed through simulations of the additional weak electron paramagnetic resonance peaks. Finally, we find that 140 μm as-cut planar Sb-doped wafers exhibit slightly higher mechanical strength compared to P-doped wafers.

14 SOLAR ENERGY↗

Lattice Dynamics of Sb 2 Se 3 from Inelastic Neutron and X-Ray Scattering

The lattice dynamics of orthorhombic Sb 2 Se 3 is studied by a combination of inelastic neutron and 121 Sb nuclear inelastic scattering giving access to the total and Sb partial density of phonon states (DPS). The Se partial DPS is determined from the difference between the total and Sb partial DPS. The total DPS is determined at 39, 150, and 300 K, and an analysis of the temperature-induced mode shifts in combination with low-temperature powder diffraction data is provided. Using an earlier reported theoretical approach, the corresponding total and partial DPS of Sb 2 Se 3 are calculated by first-principles calculations. Herein, a detailed analysis of the Grüneisen parameter, element-specific and bulk Debye temperatures, and the mean force constants as derived from the experimental data and discrete Fourier transform calculations is provided. In general, the calculations underestimate the strength of the covalent Sb-Se bonds.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗