R Haydock et al 1972 J. Phys. C: Solid State Phys. 5 2845 doi:10.1088/0022-3719/5/20/004
Electronic structure based on the local atomic environment for tight-binding bands
R Haydock, V Heine and M J Kelly
Show affiliationsSome new methods are presented for calculating the density of states n(E) and other aspects of electronic structure in a tight-binding band, without use of Bloch's theorem or the band structure E(k). The methods are therefore applicable to calculating the local density of states at surfaces, impurities etc. and relate the electronic structure to the local atomic environment. They depend on developing the Green function as an infinite continued fraction. There is no difficulty in obtaining n(E) in a few minutes computing time correct to the first 50 moments for an s-band and 10 moments for d-bands. The present paper discusses the methods and ideas, with specific applications to follow.
- PACS
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73.20.At Surface states, band structure, electron density of states
71.20.-b Electron density of states and band structure of crystalline solids
- Subjects
- Dates
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Issue 20 (17 October 1972)
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Electronic structure based on the local atomic environment for tight-binding bands
R Haydock et al 1972 J. Phys. C: Solid State Phys. 5 2845
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K T Park et al 1987 J. Phys. C: Solid State Phys. 20 1241
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Kinetic theory of the magnetoviscosity in solid state plasma
I D Vagner 1982 J. Phys. C: Solid State Phys. 15 4033
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Electronic structure of MnP
A Yanase and A Hasegawa 1980 J. Phys. C: Solid State Phys. 13 1989
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Charge fluctuations in potassium bromide
G S Dubey et al 1979 J. Phys. C: Solid State Phys. 12 L103
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