Effect of thallium doping on the thermal conductivity of PbTe single crystals

Akhmedova, G. A.; Abdinov, D. Sh.

doi:10.1134/s0020168509080056

Cited by 44 publications

(25 citation statements)

References 3 publications

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“…As shown in Fig. 1b in comparison with other thermoelectric materials 11,[18][19][20][21][22] , the thermal conductivity of HMS along the Si ladder direction (c axis) can be a factor of two lower than that perpendicular to the ladder (a axis). This k anisotropy is similar in magnitude to layered Bi 2 Te 3 , where the heavy atoms are responsible for the inherently low k and the large bonding anisotropy is responsible for the k anisotropy 23 .…”

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confidence: 99%

Twisting phonons in complex crystals with quasi-one-dimensional substructures

et al. 2015

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A variety of crystals contain quasi-one-dimensional substructures, which yield distinctive electronic, spintronic, optical and thermoelectric properties. There is a lack of understanding of the lattice dynamics that influences the properties of such complex crystals. Here we employ inelastic neutron scatting measurements and density functional theory calculations to show that numerous low-energy optical vibrational modes exist in higher manganese silicides, an example of such crystals. These optical modes, including unusually low-frequency twisting motions of the Si ladders inside the Mn chimneys, provide a large phase space for scattering acoustic phonons. A hybrid phonon and diffuson model is proposed to explain the low and anisotropic thermal conductivity of higher manganese silicides and to evaluate nanostructuring as an approach to further suppress the thermal conductivity and enhance the thermoelectric energy conversion efficiency. This discovery offers new insights into the structure-property relationships of a broad class of materials with quasi-one-dimensional substructures for various applications.

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confidence: 99%

Twisting phonons in complex crystals with quasi-one-dimensional substructures

et al. 2015

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“…The rock-salt compounds PbTe and SnTe are particularly interesting, with zT values reaching well above unity, in part thanks to low lattice thermal conductivities, κ lat ≃ 2 W m −1 K −1 at 300 K in single-crystals. [3][4][5][6][7][8][9] Several factors contribute to this low κ lat , including soft bonds, heavy atomic masses, and strong anharmonicity, which is reflected in the proximity to a ferroelectric lattice instability. [10][11][12][13][14][15][16] The half-filled resonant p-band and the nonlinear Te polarizability in group IV tellurides induce a strong anharmonicity in long-range interatomic potentials.…”

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confidence: 99%

Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

Cao

et al. 2014

Phys. Rev. B

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The structure and lattice dynamics of rock-salt thermoelectric materials SnTe and PbTe are investigated with single crystal and powder neutron diffraction, inelastic neutron scattering (INS), and first-principles simulations. Our first-principles calculations of the radial distribution function (RDF) in both SnTe and PbTe show a clear asymmetry in the first nearest-neighbor (1NN) peak, which increases with temperature, in agreement with recent experimental reports. We show that this peak asymmetry for the 1NN Sn-Te or Pb-Te bond results from large-amplitude anharmonic vibrations (phonons). No atomic off-centering is found in our simulations. In addition, the atomic mean square displacements derived from our diffraction data reveal stiffer bonding at the anion site, in good agreement with the partial phonon densities of states from INS, and first-principles calculations. These results provide clear evidence for large-amplitude anharmonic phonons associated with the resonant bonding leading to the ferroelectric instability.

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“…The rock-salt semiconductor compounds PbTe and SnTe are currently among the most efficient thermoelectric materials, in part because of their very low phonon thermal conductivity [1][2][3][4][5][6][7]. Several factors have been invoked in explaining this low κ lat , including soft bonds, heavy masses, as well as proximity to a ferroelectric lattice instability, which causes strong anharmonicity [8][9][10][11][12][13][14].…”

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Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics

et al. 2014

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The anharmonic lattice dynamics of rock-salt thermoelectric compounds SnTe and PbTe are investigated with inelastic neutron scattering (INS) and first-principles calculations. The experiments show that, surprisingly, although SnTe is closer to the ferroelectric instability, phonon spectra in PbTe exhibit a more anharmonic character. This behavior is reproduced in first-principles calculations of the temperature-dependent phonon self-energy. Our simulations reveal how the nesting of phonon dispersions induces prominent features in the self-energy, which account for the measured INS spectra and their temperature dependence. We establish that the phase space for three-phonon scattering processes, combined with the proximity to the lattice instability, is the mechanism determining the complex spectrum of the transverse-optic ferroelectric mode

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Effect of thallium doping on the thermal conductivity of PbTe single crystals

Cited by 44 publications

References 3 publications

Twisting phonons in complex crystals with quasi-one-dimensional substructures

Twisting phonons in complex crystals with quasi-one-dimensional substructures

Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics

Phonon Self-Energy and Origin of Anomalous Neutron Scattering Spectra in SnTe and PbTe Thermoelectrics

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