Self-Consistent Band Calculations for Iron in Paramagnetic and Ferromagnetic States
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概要
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Self-consistent band calculations are carried out for iron in paramagnetic and ferromagnetic states. Wave functions are expanded in terms of a set of functions constructed by the modified tight-binding method and the orthogo-nalized-plane-wave method. The modified Slater's approximation is adopted for the exchange term of the crystal potential. Wave functions and crystal potentials are determined self-consistently by an iteration method. Band structures, density of states curves and the Fermi surfaces are obtained and compared with previously reported results.
- 社団法人日本物理学会の論文
- 1973-02-05
著者
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Shimizu Masao
Department Of Applied Physics Faculty Of Engineering Nagoya University
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Yasui Masaru
Faculty Of Engineering Yamanashi University
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HAYASHI Eisuke
Faculty of Engineering, Yamanashi University
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Hayashi Eisuke
Faculty Of Engineering Yamanashi University
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SHIMIZU Masao
Department of Applied Physics, Faculty of Engineering, Nagoya University
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