Theory of Composite-Band Wannier States and Order-N Electronic-Structure Calculations : Condensed Matter: Electronic Properties, etc.
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概要
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From the order-N electronic-structure formulation, a Hamiltonian is derived, of which the lowest eigen state is the generalized or composite-band Wannier state. This Hamiltonian maps the locality of the Wannier state to that of a virtual impurity state and to a perturbation from a bonding orbital. These theories are demonstrated in the diamond-structure solids, where the Wannier states are constructed by a practical order-N algorithm with the Hamiltonian. The results give a prototypical picture of the Wannier states in covalent-bonded systems.
- 社団法人日本物理学会の論文
- 2000-12-15
著者
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Fujiwara Takeo
Department Of Applied Physics Faculty Of Engineereing University Of Tokyo
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HOSHI Takeo
Department of Applied Physics, University of Tokyo
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Hoshi T
Univ. Tokyo Tokyo
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Hoshi Takeo
Department Of Applied Mathematics And Physics Tottori University:core Research For Evolutional Scien
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