Radiation-induced formation of H2* in silicon

被引:23
作者
Estreicher, SK [1 ]
Hastings, JL
Fedders, PA
机构
[1] Texas Tech Univ, Dept Phys, Lubbock, TX 79409 USA
[2] Washington Univ, Dept Phys, St Louis, MO 63130 USA
关键词
D O I
10.1103/PhysRevLett.82.815
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Two kinds of hydrogen dimers have been observed in c-Si: the interstitial H-2 molecule and the H-2* complex. Theory predicts that H-2 and H-2* are within a few tenths of an eV of each other, but the two centers have never been observed to coexist. Instead, the irradiation of samples rich in H-2 induces its conversion into H-2*. No such conversion has been thermally induced, and H-2* is seen only in irradiated material. In the present paper, ab initio molecular-dynamics simulations demonstrate in real time how these reactions occur. A vacancy (V) or a self-interstitial (I) break up interstitial H-2, resulting in the {V,H,H} or {I,H,H} complex. Then V-I recombination forms H-2*, as in {I,H,H} + V --> H-2*.
引用
收藏
页码:815 / 818
页数:4
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