Electronic structure of glassy chalcogenides As4Se4 and As2Se3:: A joint theoretical and experimental study -: art. no. 046803

被引:19
作者
Li, J [1 ]
Drabold, DA
Krishnaswami, S
Chen, G
Jain, H
机构
[1] Ohio Univ, Dept Phys & Astron, Condensed Matter & Surface Sci Program, Athens, OH 45701 USA
[2] Lehigh Univ, Dept Mat Sci & Engn, Bethlehem, PA 18015 USA
关键词
D O I
10.1103/PhysRevLett.88.046803
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present an interpretation of the x-ray absorption spectra of arsenic chalcogenide glasses, As4Se4 and As2Se3, from a first-principles calculation. Our calculation identifies the atomistic origins of the observed photoemission data. The importance of structural "building blocks" present in a particular glass to the electron states is emphasized. The effects of disorder on the electronic spectra are clearly demonstrated by a significant change in the electronic density of states, originating in the breakdown of long-range order coherence in the bonding states of the building blocks. We discuss the relation between observed in situ light-induced changes and the electronic structure.
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页数:4
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