Stable Structure of the Sb Monolayer on a Strained Ge(111) Substrate

曹义刚; 焦正宽; A. Antons; K. Schroeder; S.Blügel

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Stable Structure of the Sb Monolayer on a Strained Ge(111) Substrate

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Using an ab initio total energy and force method, we have investigated the stability of different structures of Ge(111):Sb(1 ML) as a function of the lateral lattice constant. We find that the (2×1)-reconstruction of Ge(111):Sb, experimentally found to be stable at the equilibrium lattice constant of Ge, is also the stable structure for slightly dilated Ge films (＜ 1%), while for larger dilatations the (1 × 1)-structure becomes stable. For compressed Ge films the (√ 3×√3)T4-structure (found experimentally on Si(111):Sb) becomes competitive and it is stable for the lattice constants compressed by more than 5%. Furthermore, we find that for each structure, the equilibrium lattice constant is different from the bulk Ge crystal. Our results are helpful for the understanding of surfactant mediated island growth on strained films.

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《中国物理快报：英文版》 |2002年第2期|259-261|共3页
作者
曹义刚; 焦正宽; A. Antons; K. Schroeder; S.Blügel;
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作者单位

Department of Physics, Zhejiang University, Hangzhou 310027;

Department of Physics, Zhejiang University, Hangzhou 310027;

Institut für Festorperforschung, Forschungszentrum Jiilich, D-52425 Jiilich, Germany;

Institut für Festorperforschung, Forschungszentrum Jiilich, D-52425 Jiilich, Germany;

Institut für Festorperforschung, Forschungszentrum Jiilich, D-52425 Jiilich, Germany;

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Stable Structure of the Sb Monolayer on a Strained Ge(111) Substrate

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