Quasiparticle band structures of clean, hydrogen-, and sulfur-terminated Ge(001) surfaces.
Quasiparticle band structures of clean, hydrogen-, and sulfur-terminated Ge(001) surfaces.
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清洁、氢和硫封端的 Ge(001) 表面的准粒子能带结构。
DOI：
10.1103/physrevb.54.13759
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发表时间：
1996
期刊：
影响因子：
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通讯作者：
J. Pollmann
中科院分区：
文献类型：
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作者：
M. Rohlfing;Peter Krüger;J. Pollmann
我们给出了干净的，重建的Ge（001）-（2\ifmmode\times\else\texttimes\fi{}1），以及氢封端的H：Ge（001）-（2\ifmmode\times\else\texttimes\fi{}1）和硫封端的S：Ge（001）-（1\ifmmode\times\else\texttimes\fi{}1）表面的准粒子能带结构。电子自能运营商内的GW近似，使人们能够克服LDA带结构计算的众所周知的不足之处进行评估。我们发现我们的结果与一些实验确定的表面态带很好的协议。\textcopyright{} 1996美国物理学会。
We present quasiparticle band structures for the clean, reconstructed Ge(001)-(2\ifmmode\times\else\texttimes\fi{}1), as well as for the hydrogen-terminated H:Ge(001)-(2\ifmmode\times\else\texttimes\fi{}1) and the sulfur-terminated S:Ge(001)-(1\ifmmode\times\else\texttimes\fi{}1) surface. The electronic self-energy operator is evaluated within the GW approximation which allows one to overcome the well-known deficiencies of LDA band-structure calculations. We find good agreement of our results with a number of experimentally determined surface-state bands. \textcopyright{} 1996 The American Physical Society.