Electronic Structure of Transition Metals Fe, Ni and Cu in the GW Approximation
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概要
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The quasiparticle band structures of 3d transition metals, ferromagnetic Fe, Ni and paramagnetic Cu, are calculated by the GW approximation. The width of occupied 3d valence hand, which is overestimated in the LSDA, is in good agreement with experimental observation. However the exchange splitting and satellite in spectra are not reproduced and it is required to go beyond the GW approximation. The effects of static screening and dynamical correlation are discussed in detail in comparison with the results of the static COHSEX approximation. The dynamical screening effects are important for band width narrowing.
- 2003-03-15
著者
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Fujiwara Takeo
Department Of Applied Physics University Of Tolyo
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Fujiwara Takeo
Department Of Applied Physics Faculty Of Engineereing University Of Tokyo
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Yamasaki Atsushi
Department Of Ophthalmology Faculty Of Medicine Tottori University
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Yamasaki Atsushi
Department Of Applied Physics University Of Tolyo
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