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Stable Structure of the Sb Monolayer on a Strained Ge(111) Substrate |
| CAO Yi-Gang1;JIAO Zheng-Kuan1;A. Antons2;K. Schroeder2; S.Blügel2
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| 1Department of Physics, Zhejiang University, Hangzhou 310027
2Institut für Festkörperforschung, Forschungszentrum Jülich, D-52425 Jülich, Germany
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| Cite this article: |
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CAO Yi-Gang, JIAO Zheng-Kuan, A. Antons et al 2002 Chin. Phys. Lett. 19 259-261 |
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Abstract 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 x 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 x 1)-structure becomes stable. For compressed Ge films the (√3 x √3)T4-structure (found experimentally on Si(111):Sb) becomes competitive and it is stable for the lattice constants compressed larger 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 understanding of surfactant mediated island growth on strained films.
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| Keywords:
68.35.-p
68.55.-a
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Published: 01 February 2002
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| PACS: |
68.35.-p
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(Solid surfaces and solid-solid interfaces: structure and energetics)
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68.55.-a
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(Thin film structure and morphology)
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