ORIGIN OF THE NONMETALLIC BEHAVIOR IN LI2C60, NA2C60 AND MG2C60

被引:11
作者
GUPTA, RP [1 ]
GUPTA, M [1 ]
机构
[1] UNIV PARIS 11,INST SCI MAT,F-91405 ORSAY,FRANCE
来源
PHYSICA C | 1994年 / 219卷 / 1-2期
关键词
D O I
10.1016/0921-4534(94)90007-8
中图分类号
O59 [应用物理学];
学科分类号
摘要
While K-, Rb- and Cs-doped C60 are metallic and superconducting, doping by Li, Na or Mg surprisingly results only in non-metallic phases. Results of our tight-binding electronic structure calculations show that the latter are band insulators due to the introduction of additional occupied bands either in the gap or just below the conduction band minimum Of C60. The position of these bands depends critically on the location of the element in the per-iodic table. In the case of K, Rb or Cs, these bands are found at much higher energies in the conduction band.
引用
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页码:21 / 25
页数:5
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