ATOMIC AND ELECTRONIC-STRUCTURES OF RECONSTRUCTED SI(100) SURFACES

被引:937
作者
CHADI, DJ
机构
[1] Xerox Palo Alto Research Center, Palo Alto
关键词
D O I
10.1103/PhysRevLett.43.43
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
New structural models for 2×1 and 4×2 reconstructed (100) surfaces of Si determined from energy-minimization claculations are presented. The optimal 2×1 and 4×2 structures are found to correspond to asymmetric dimer geometries with partially ionic bonds between surface atoms, resulting in semiconducting surface electronic bands. The atomic and electronic structures for the 2×1 and 4×2 reconstructed surfaces are discussed. © 1979 The American Physical Society.
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页码:43 / 47
页数:5
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