The charge-state-dependent lattice relaxation of mono-vacancy in silicon is studied using the first-principles pseudopotential plane-wave method.We observe that the structural relaxation for the first-neighbor atoms of the mono-vacancy is strongly dependent on its charge state.The difference in total electron density between with and without charge states in mono-vacancy and its relevant change due to the localized positron are also examined by means of first-principles simulation,demonstrating the strong i...
【英文摘要】
The charge-state-dependent lattice relaxation of mono-vacancy in silicon is studied using the first-principles pseudopotential plane-wave method.We observe that the structural relaxation for the first-neighbor atoms of the mono-vacancy is strongly dependent on its charge state.The difference in total electron density between with and without charge states in mono-vacancy and its relevant change due to the localized positron are also examined by means of first-principles simulation,demonstrating the strong i...
【基金】
Project supported by the Fundamental Research Funds for the Central Universities and the National Natural Science Fundation of China(Grant Nos.11105139 and 11175171)
【更新日期】
2014-03-06
【分类号】
O469
【正文快照】
1.IntroductionPositron annihilation spectroscopy is widely used to studythe defect properties in solids.Energetic positrons injectedinto a material will rapidly lose energy,then exist for a fewhundred picoseconds in thermal equilibrium with the environ-me
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