Band Structures and Physical Properties of Magnetic Layered Semiconductors MPS_3
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概要
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The band structures of manganese chalcogeno-phosphate MnPS, and ironchalcogeno-phosphate FePS, are calculated self-consistently. From the calculation ofthe total energies of two types of magnetic structures of MnPS, the experimentallyobserved magnetic structure is proved more stable. Furthermore, by comparing theband structures of MPS, family (M=Mn, Fe, Ni, Zn), it is found that FePS, andNiPS3 are more active to the Li intercalation than ZnPS, and MnPS, and that NIPS,is the best cathode material in secondary lithium batteries in the MPS, family.
- 社団法人日本物理学会の論文
- 1989-02-15
著者
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Kurita Noriyuki
Institute Of Materials Science University Of Tsukiba
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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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