Temperature Dependence of the Energy-Band Structure for the Holstein Molecular-Crystal Model

Li Dejun; Peng Jinzhang; Mi Xianwu; Tang Yi

J. Semicond. > 2008, Volume 29 > Issue 5 > 845-850

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Temperature Dependence of the Energy-Band Structure for the Holstein Molecular-Crystal Model

Li Dejun, Peng Jinzhang, Mi Xianwu and Tang Yi

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Abstract: We study the influences of the temperature on the energy-band structure for the Holstein molecular-crystal model.We show that the energy-band width and the energy-gap width of a solid are relevant to both the interaction between an electron and thermal phonons and to thermal expansion.For a one-dimensional Li atom lattice chain,under the chosen parameters,the width of the 1s and 2s energy bands narrows as the temperature increases and the energy-gap width between the two bands widens.These results agree qualitatively with those observed experimentally.Studying temperature dependence of the energy-band structure is of great importance for understanding optical and transporting characteristics of a solid.

Key words: temperature dependence, energy-band structure, thermal phonon, thermal expansion

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Li Dejun, Peng Jinzhang, Mi Xianwu, Tang Yi. Temperature Dependence of the Energy-Band Structure for the Holstein Molecular-Crystal Model[J]. Journal of Semiconductors, 2008, 29(5): 845-850.

Li D J, Peng J Z, Mi X W, Tang Y. Temperature Dependence of the Energy-Band Structure for the Holstein Molecular-Crystal Model[J]. J. Semicond., 2008, 29(5): 845.

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Received: 18 August 2015 Revised: 12 December 2007 Online: Published: 01 May 2008

We study the influences of the temperature on the energy-band structure for the Holstein molecular-crystal model.We show that the energy-band width and the energy-gap width of a solid are relevant to both the interaction between an electron and thermal phonons and to thermal expansion.For a one-dimensional Li atom lattice chain,under the chosen parameters,the width of the 1s and 2s energy bands narrows as the temperature increases and the energy-gap width between the two bands widens.These results agree qualitatively with those observed experimentally.Studying temperature dependence of the energy-band structure is of great importance for understanding optical and transporting characteristics of a solid.

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