Electronic structure of monolayer C60 on Si(100)2 × 1 surface
作者： Akio Yajima , Masaru Tsukada
DOI: 10.1016/0039-6028(96)00181-1
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摘要: Abstract The band structure of monolayer C60 on Si(100)2 × 1 surface is calculated by DV-X α-LCAO method and compared with the energy bands Si substrate isolated monolayer. results indicate a significant hybridization between showing metallic character to be consistent experiment. According Mulliken charge analysis, electron transferred from C60, molecule about −0.66.
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