Band Structure of Magnetic Layered Semiconductor NiPS_3
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概要
- 論文の詳細を見る
The self-consistent band structures of nickel chalcogencc-phosphate NiPS. arecalculated for three kinds of magnetic structures. By comparing the total energies, theexperimentally observed magnetic structure proves to be stablc. The main features ofthe band structure for that magnetic structure are the following: the indirect band gapis 0.5 eV; the lower conduction bands originate mainly from the P 3.s', S 3 p and down-spin Ni 3d e. states; the Ni 3d band splits into four narrow grc>ups and all of them lienear the Fermi level; the magnetic moment of a IS[i ion is 1.03 p.. It is evident fromthis result that the Ni 3d bands have a considerable effect on various physical proper-ties such as intercalation capacity.
- 社団法人日本物理学会の論文
- 1989-01-15
著者
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NAKAO Kenji
Institute of Materials Science, University of Tsukuba
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Kurita Noriyuki
Institute Of Materials Science Uneversity If Tsukuba
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Nakao Kenji
Institute Of Materials Science University Of Tsukiba
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Nakao Kenji
Institute Of Materials Science Uneversity If Tsukuba
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