Isovalent impurity-vacancy complexes in germanium
Isovalent impurity-vacancy complexes in germanium
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DOI：
10.1002/pssb.200642622
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发表时间：
2007-09-01
影响因子：
1.6
通讯作者：
Chroneos, A.
中科院分区：
文献类型：
--
作者：
Chroneos, A.
电子结构模拟用于预测锗中的等价杂质和晶格空位之间形成的团簇的结构和相对能量，并用于硅中的比较。考虑了锗中一系列不同的碳空位复合物的结构和相对能量。该技术也被用来预测碳原子上的锡空位对在锗中的结合的效果。对于锗和硅，含有碳、锡和空位的不同构型是稳定的。计算强调了与硅相比，锗中团簇稳定性的重要差异。
Electronic structure simulations are used to predict the structures and relative energies of clusters formed between isovalent impurities and lattice vacancies in germanium and for comparison in silicon. The structures and relative energies of a series of different carbon-vacancy complexes in germanium are considered. The technique is also used to predict the effect of carbon atoms on the binding of tin-vacancy pairs in germanium. For germanium and silicon different configurations containing carbon, tin and vacancies are stable. The calculations highlight important differences in the stability of clusters in germanium compared to silicon.