Author： Jian-Dang Liu Bin Cheng Wei Kong Bang-Jiao Ye
Publisher： IOP Publishing
E-ISSN： 1741-4199|22|10|106104-106106
ISSN： 1674-1056
Source： Chinese Physics B, Vol.22, Iss.10, 2013-10, pp. : 106104-106106
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Abstract
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 interplay between positron and electron. Our calculations reveal that the positron lifetime decreases with absolute charge value increasing.
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