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硅中层错带中空位的电子态
Authors
Marklund S
王永良
Publication date
1 January 1998
Publisher
Abstract
计算了硅中带状层错中的空位电子态,所使用的Recursion方法是建立在原子轨道线性组合法的基础上,考虑了s~-p~-,d~-型十个原子轨道。用Lanczos法得到了带隙及带连续态中的电子态,局域态密度是用连续连分数来表示的,硅中理想空位的三重简并态分裂为三个能级。从价态顶算起,它们的能量分别为-0.3,0.3,1.7eV。价带顶之上0.3eV的带隙态同纯层错中发现的电子态相似,但局域态密度要高一些。价带顶之上1.7eV的在导带中的电子态是一个强共振态。价带顶之下0.3eV的价带中的电子态则是一个弱共振态
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Last time updated on 15/03/2019