Ab initiotheoretical study of an oxygen vacancy defect at the4H-SiC(0001)/SiO2interface
Ab initiotheoretical study of an oxygen vacancy defect at the4H-SiC(0001)/SiO2interface
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4H-SiC(0001)/SiO2界面氧空位缺陷的从头理论研究
DOI：
10.1103/physrevb.79.113302
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发表时间：
2009
影响因子：
3.7
通讯作者：
T. Uda
中科院分区：
文献类型：
--
作者：
E. Okuno;Toshio Sakakibara;S. Onda;M. Itoh;T. Uda
为了研究由SiC氧化形成的界面的电子结构，我们建立了衬底取向为（0001）和（0001）的无悬键界面的结构模型。我们进行了初步计算，发现一个被拉伸的氧原子出现在界面绝缘体的近界面区域，而不是界面。本文讨论了实验中在界面附近发现氧空位缺陷的原因。
In order to study the electronic structures of theinterface, which is made by the oxidation of SiC, we constructed the structural models for the dangling-bond free interfaces ofwith the substrate orientations of (0001) and. We carried outab initiocalculations to find that a stretched oxygen atom appears in the near-interface region of theinsulator for theinterface but not for theinterface. We argue the origin of the experimentally found oxygen vacancy defect near theinterface.