Thermoelectric properties of BiSb alloys

Ibrahim, Abdallah; Thompson, D.A.

doi:10.1016/0254-0584(85)90034-3

Cited by 35 publications

(28 citation statements)

References 15 publications

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“…Amongst many known binary compounds and alloys, Bi-Sb based binaries have retained a peculiar place due to their applications in the low-temperature thermoelectric industry and refrigeration. [1][2][3][4][5] Moreover, Bi-Sb binaries are the first predicted three dimensional topological insulator (often referred as the first generation topological insulator) that host robust conducting surface states. [6][7][8][9][10] Soon after the theoretical prediction, Hseih et al 7 reported the experimental detection of novel gapless conducting surface states in this binary system.…”

Section: Introductionmentioning

confidence: 99%

“…Other than the BiSb composition, several other stable compositions of the Bi-Sb binaries have been reported in literature by both theoretical and experimental studies. [1][2][3]5,12,[17][18][19][20] The formation mechanism and the chemical synthesis procedure of Bi x Sb 1−x nanocrystals are given in refs. [21][22][23] A detailed structural, electronic, vibrational and thermoelectric investigation of the Bi-Sb binaries can be found in our recent work.…”

Section: Introductionmentioning

confidence: 99%

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Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling

et al. 2018

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Using first principles calculations, we systematically study the elastic stiffness constants, mechanical properties, elastic wave velocities, Debye temperature, melting temperature, and specific heat of several thermodynamically stable crystal structures of BixSb1−x (0 < x < 1) binaries, which are of great interest due to their numerous inherent rich properties, such as thermoelectricity, thermomagnetic cooling, strong spin-orbit coupling (SOC) effects, and topological features in the electronic bandstructure. We analyze the bulk modulus (B), Young's modulus (E), shear modulus (G), B/G ratio, and Poisson's ratio (ν) as a function of the Bi concentration in BixSb1−x. The effect of SOC on above mentioned properties is further investigated. In general, we observe that the SOC effects cause elastic softening in most of the studied structures. Three monoclinic structures of Bi-Sb binaries are found to exhibit significantly large auxetic behavior due to the hinge-like geometric structure of bonds. The Debye temperature and the magnitude of the elastic wave velocities monotonically increase with increasing Sb-concentration. However, anomalies were observed at very low Sb-concentration. We also discuss the specific heat capacity versus temperature data for all studied binaries. Our theoretical results are in excellent agreement with the existing experimental and theoretical data. The comprehensive understanding of the material properties such as hardness, mechanical strength, melting temperature, propagation of the elastic waves, auxeticity, and heat capacity is vital for practical applications of the studied binaries.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling

et al. 2018

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“…The behavior of SbAs can be contrasted with the Bi 1−x Sb x system, where 7-22% Sb substitution leads to an opening of E g up to 0.014 eV. 13, 14 Saunders qualitatively suggested that SbAs does not become a semiconductor because the band overlap in As is greater than that in Bi, so a larger perturbation from Sb addition would be required to shift the L-point band enough to create a gap. 16 Figure 6(b) shows a rise in the resistivity above 500 K, coincident with the order-disorder transition observed by high-temperature diffraction in Figure 5.…”

Section: Transport Measurementsmentioning

confidence: 99%

“…13,14 Bi and As are not chemically miscible. 15 Previous work on Sb 1−x As x has found that these elements are miscible across the full composition range.…”

Section: Fig 1 (Color Online)mentioning

confidence: 99%

Chemical ordering rather than random alloying in SbAs

Shoemaker

Chasapis

et al. 2013

Phys. Rev. B

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The semimetallic Group V elements display a wealth of correlated electron phenomena due to a small indirect band overlap that leads to relatively small, but equal, numbers of holes and electrons at the Fermi energy with high mobility. Their electronic bonding characteristics produce a unique crystal structure, the rhombohedral A7 structure, which accommodates lone pairs on each site. Here we show via single-crystal and synchrotron x-ray diffraction that SbAs is a compound and the A7 structure can display chemical ordering of Sb and As, which were previously thought to mix randomly. Formation of this compound arises due to differences in electronegativity that are common to IV-VI compounds of average group V such as GeTe, SnS, PbS, and PbTe, and also ordered intra-period compounds such as CuAu and NiPt. High-temperature diffraction studies reveal an order-disorder transition around 550 K in SbAs, which is in stark contrast to IV-VI compounds GeTe and SnTe that become cubic at elevated temperatures but do not disorder. Transport and infrared reflectivity measurements, along with first-principles calculations, confirm that SbAs is a semimetal, albeit with a direct band separation larger than that of Sb or As. Because even subtle substitutions in the semimetals, notably Bi1−xSbx, can open semiconducting energy gaps, a further investigation of the interplay between chemical ordering and electronic structure on the A7 lattice is warranted.

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“…Several experimental routes have been proposed to obtain one single type of carrier in bismuth, like doping the bulk material with a few percents of antimony to favor electron conduction with respect to hole transport [3,4]; or applying a magnetic field to promote field-induced hole Landau states at the Fermi level [5]. Alternatively, nanostructuring on the scale of a few tens of nanometers, with the aim of opening a confinement-induced energy gap [6][7][8], allows one to break the electron-hole symmetry around the Fermi level [2].…”

Section: Introductionmentioning

confidence: 99%

Nanoscale mechanisms for the reduction of heat transport in bismuth

et al. 2016

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Hand-on routes to reduce lattice thermal conductivity (LTC) in bismuth have been explored by employing a combination of Boltzmann's transport equation and ab initio calculations of phonon-phonon interaction within the density functional perturbation theory. We have first obtained the temperature dependence of the bulk LTC in excellent agreement with available experiments. A very accurate microscopic description of heat transport has been achieved and the electronic contribution to thermal conductivity has been determined. By controlling the interplay between phonon-phonon interaction and phonon scattering by sample boundaries, we predict the effect of size reduction for various temperatures and nanostructure shapes. The largest heat transport reduction is obtained in polycrystals with grain sizes smaller than 100 nm.

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Thermoelectric properties of BiSb alloys

Cited by 35 publications

References 15 publications

Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling

Elastic, mechanical, and thermodynamic properties of Bi-Sb binaries: Effect of spin-orbit coupling

Chemical ordering rather than random alloying in SbAs

Nanoscale mechanisms for the reduction of heat transport in bismuth

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