Complex impurity dynamics in silicon

S. Pantelides, M. Ramamoorthy, A. Maiti, M. Chisholm, S. Pennycook
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Abstract

We review results of recent first-principles calculations that have led to comprehensive descriptions of a wide range of dynamical properties of impurities in Si. In particular we review the dynamics of clustering and declustering of As impurities in heavily-doped crystalline Si, the segregation of As impurities in the form of ordered chains in grain boundaries, and the very complex though seemingly simple migration of oxygen impurities in Si.
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硅中复杂杂质动力学
我们回顾了最近第一性原理计算的结果,这些结果导致了对硅中杂质的广泛动力学性质的全面描述。我们特别回顾了砷杂质在重掺杂晶体Si中的聚类和散簇动力学,砷杂质在晶界中以有序链的形式的偏析,以及氧杂质在Si中看似简单却非常复杂的迁移。
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