Self-Consistent Cluster Theory for Electronic Structure of Systems with Local Orders. II. : Application to Amorphous Si
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概要
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Electronic density of states of amorphous Si is investigated with the use of the self-consistent cluster theory developed in the preceding paper. E-k relations and local densities of states are calculated for 1-, 2- and 8-atom cluster cases. Effect of local orders is elucidated by comparing the results in these three cases. Density of states with pseudogap at the Fermi energy is obtained for 8-atom cluster case, in which the two central atoms are in the tetrahedral environment. By using the sp^3 hybridized orbitals the structure in state density is analyzed and the origin of the pseudogap is clarified to be the bonding-anti-bonding splitting of the hybridized orbitals.
- 社団法人日本物理学会の論文
- 1975-09-15
著者
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Inoue Masahiro
Institute for Materials Research, Tohoku University
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Okazaki Makoto
Department Of Applied Physics University Of Tokyo
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Okazaki Makoto
Department Of Applied Physics Faculty Of Engineering University Of Tokyo
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Yoshino Sayaka
Department Of Applied Physics Faculty Of Engineering University Of Tokyo
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Okazaki Makoto
Department Of Applied Physics Department Of Physics University Of Tokyo
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Inoue Masahiro
Institute for Solid State Physics, University of Tokyo
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