Localized Orbital Approach to Electronic Structure of Covalent Semiconductors. I. Energy Bands of Diamond-Type Crystals

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概要

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• The energy bands of four diamond-type crystals C(diamond), Si, Ge anda-So(gray tin) are calculated employing the cluster-Bathe lattice model. Theinteraction integrals in the model are evaluated in the chemical pseudopotentialmethod, with no adjustable parameters except the lattice constant. Our calcula-lions reproduce main features of the electronic density of states obtained by theempirical pseudopotential method (EPM) and the discrete variational method(DVM). The present approach allows one to characterize the energy bands from achemical point of view based on atomic properties. It is seen that the semicon-ducting band gap and the distribution of the s and p components depend stronglyon a particular combination of transfer integrals 7./7.. Deviatiotus of otu' resultfrom the EPM and DVM results are discussed.

• 社団法人日本物理学会の論文
• 1979-10-15

著者

• Suzuki Katuhisa

  Department Of Physics Osaka University

• Hoshino Toshiharu

  Department Of Applied Physics Faculty Of Engineering Shizuoka University

• SUZUKI Katsuhisa

  Department of Physics,Osaka University

• Suzuki Katsuhisa

  Department Of Physics Osaka University

• Hoshino Toshiharu

  Department of Physics,Osaka University

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• Localized Orbital Approach to Electronic Structure of Covalent Semiconductors. I. Energy Bands of Diamond-Type Crystals

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