A Semi-Empirical Model Study of the Electronic and Lattice Structure of a Pressure-Quenched Se-Te Mixed Crystal
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概要
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The electronic and lattice structure of a pressttre-quenched Se-Te mixed crystal was sttrdiedusing a CNDO-type semi-empirical nuodel. The fundarnental structure without any superlatticenaodulation gives nine p bands. Three of' these have large dispersions along the b axis andthe others have srrnall dispersions in all directions, The former bands form six planar Fermisurfaces which nest with one another, This prodtrces a stable 9 x 2 svrperlattice structure witha glide reflection syrnrnetry, in which wedge-like trirrrers are foruned by shifts of the atoms. Thesuperlattice structure can be regarded as a qttasi-one-dimensional system composed of 2/3, 5/9,and 7 /9 filled chains along the b axis.
- 社団法人日本物理学会の論文
- 1997-03-15
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関連論文
- Electronic Structures of Ions of m-Phenylenebis (Phenylmethylene).II:The Electron Correlation Effects
- Electronic Structures of Ions of m-Phenylenebis (Phenylmethylene).I:UHF Studies
- A Semi-Empirical Model Study of the Electronic and Lattice Structure of a Pressure-Quenched Se-Te Mixed Crystal