Theoretical Investigation of Geometry and Electronic Structure of Layered In_2Se_3
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概要
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The atomic configuration in layered In_2Se_3 has been studied from the viewpoint of electronic structure. It was found that In_2Se_3 stabilizes in the layered structure of Se-In-Se=In=Se, where half the In atoms have octahedral bonds (=) and the other half have tetrahedral bonds (-). This structure exhibits semiconducting properties consistent with the results of experiments. Such multicoordination of In atoms occurs due to the large electronegativity difference between In and Se atoms, which also explains why only the In-Se combination shows the layered III_2VI_3 structure among various III-VI misvalent combinations.
- 社団法人応用物理学会の論文
- 1997-12-01
著者
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Ishikawa Masato
Department Of Physics Faculty Of Science Chiba University
-
Nakayama Takashi
Department Of Biochemistry I Yokohama City University School Of Medicine
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