Quasiparticle effects on tunneling currents:: A study of C2H4 adsorbed on the Si(001)-(2 x 1) surface

被引:42
作者
Rignanese, GM
Blase, X
Louie, SG
机构
[1] Catholic Univ Louvain, Unite Physicochim & Phys Mat, B-1348 Louvain, Belgium
[2] Dept Phys Mat, F-69622 Villeurbanne, France
[3] CNRS, UMR 5586, F-69622 Villeurbanne, France
[4] Lawrence Berkeley Lab, Div Mat Sci, Berkeley, CA 94720 USA
[5] Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA
关键词
D O I
10.1103/PhysRevLett.86.2110
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We present a first-principles calculation of the quasiparticlc: electronic structure of ethylene adsorbed on the dimer reconstructed Si(001)-(2 X 1) surface. Within the GW approximation, the self-energy corrections for the adsorbate states are found to be about 1.5 eV larger than those for the states derived from bulk silicon. The calculated quasiparticle band structure is in excellent agreement with photoemission spectra. Finally, the effects of the quasiparticle corrections on the scanning tunneling microscope images of the adsorbed molecules are shown to be important as the lowering of the C2H4 energy levels within GW strongly reduces their tunneling probability.
引用
收藏
页码:2110 / 2113
页数:4
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