A theoretical study of the (2*1) reconstruction of Si(100): application to surface-induced core level shifts
作者： T Vinchon , D Spanjaard , M C Desjonqueres
DOI: 10.1088/0953-8984/4/22/006
关键词:
摘要: The tight-binding method is used to study the (2*1) reconstruction of Si(100) surface. laws variation with interatomic distance Slater-Koster parameters and pairwise repulsion energy are defined in order give a good description electronic band structure elastic properties bulk silicon. necessity taking into account, during total minimization, surface-induced atomic level shifts emphasized. dimer bond length shown be agreement experimental values. Then, related core shifts. A new interpretation photoemission spectra, consistent weak asymmetry dimers, finally proposed.
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