Abstract
The first-principles pseudopotential method of density-functional theory is used to study electron-phonon interactions in silicon. The temperature shift of the indirect band gap, the phonon spectrum, and the enthalpy are calculated consistently within the density-functional theory. The relationship between the temperature dependence of the energy gap ΔE g(T) and the temperature dependence of the enthalpy ΔH(T) is ΔH(T)=K|ΔE g(T)|. The physical origin of this correlation is discussed.
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Fiz. Tekh. Poluprovodn. 32, 1025–1028 (September 1998)
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Revinskii, A.F. Correlation between the temperature dependence of the band gap and the temperature dependence of the enthalpy of semiconductor crystals. Semiconductors 32, 917–920 (1998). https://doi.org/10.1134/1.1187514
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DOI: https://doi.org/10.1134/1.1187514