JOURNAL OF PHYSICS C-SOLID STATE PHYSICS
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1979年
/
12卷
/
02期
关键词:
D O I:
10.1088/0022-3719/12/2/015
中图分类号:
O469 [凝聚态物理学];
学科分类号:
070205 ;
摘要:
Electron band structure calculations reveal that ZrSe3 is a semiconductor with Eg approximately 1.5 eV whereas NbSe3 and TaSe3 are both highly anisotropic metals. The Peierls transition in NbSe3 is related to the presence of four quasi-one-dimensional free-electron-like bands crossing the Fermi energy. This feature does not exist in TaSe3, and the differences in properties are related to structural differences.