First-Principles Study on Interlayer States at the 4H-SiC/SiO2 Interface and the Effect of Oxygen-Related Defects
First-Principles Study on Interlayer States at the 4H-SiC/SiO2 Interface and the Effect of Oxygen-Related Defects
复制标题
4H-SiC/SiO2界面层间态及氧相关缺陷影响的第一性原理研究
DOI：
10.7566/jpsj.85.024701
复制
发表时间：
2016
影响因子：
1.7
通讯作者：
T. Ono
中科院分区：
文献类型：
--
作者：
C. Kirkham;T. Ono
通过第一性原理计算研究了SiC堆积和界面O缺陷对4 H-SiC/SiO2界面电子结构的影响。我们发现沿着SiC导带边缘存在层间态，其位置根据两个可能的晶格位置h或k中的哪一个位于界面而变化。界面处过量的O原子导致改变电子结构的缺陷结构。无论h或k位置在界面处，价带边缘的变化都是相同的。另一方面，如果在界面处存在h位点，则缺陷去除第一和第二SiC双层之间的导带边缘的层间状态，但是当存在k位点时，缺陷没有影响。在界面处的导带边缘的变化被解释在浮动状态，SiC的一个特定的属性。
We investigate the effect of SiC stacking and interfacial O defects on the electronic structure of the 4H-SiC/SiO2 interface via first-principles calculations. We find interlayer states along the SiC conduction band edge, whose location changes depending on which of two possible lattice sites, h or k, is at the interface. Excess O atoms at the interface lead to defect structures which alter the electronic structure. Changes to the valence band edge are the same whether h or k sites are at the interface. On the other hand, defects remove the interlayer state of the conduction band edge between the first and second SiC bilayers if an h site is at the interface, but have no effect when there is a k site. The variation of the conduction band edge at the interface is interpreted in terms of floating states, a particular property of SiC.
影响因子：
4.9
作者：
Okamoto, Dai;Yano, Hiroshi;Fuyuki, Takashi
通讯作者：
Fuyuki, Takashi
影响因子：
3.7
作者：
T. Ono;K. Hirose
通讯作者：
T. Ono;K. Hirose