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- W1626698537 abstract "We present first-principles calculations for stress-induced defects in the thermoelectric material ${mathrm{Sb}}_{2}{mathrm{Te}}_{3}.$ We focused on the antisite defect, vacancies, and combinations thereof. Our calculated formation energies are in good agreement with experimentally obtained data. We also studied the effect of hydrostatic pressure and uniaxial stress on these formation energies. Both hydrostatic pressure and uniaxial stress are found to lower the formation energies of the antisite defects, suggesting a structural transition at high pressures. The relation to experiments is also discussed." @default.
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- W1626698537 date "2003-11-18" @default.
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- W1626698537 title "Stress-induced defects in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Sb</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Te</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>" @default.
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- W1626698537 doi "https://doi.org/10.1103/physrevb.68.205207" @default.
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