Modeling HfO2/SiO2/Si interface

被引：21
|
作者：
Gavartin, J. L.
Shluger, A. L.
机构：
[1] Accelrys, Cambridge CB4 0WN, England
[2] UCL, London Ctr Nanotechnol, London WC1H 0AH, England
来源：
MICROELECTRONIC ENGINEERING | 2007年 / 84卷 / 9-10期
基金：
英国工程与自然科学研究理事会;
关键词：
high-k; disorder; interface; ab initio; band alignment;
D O I：
10.1016/j.mee.2007.04.102
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
We present ab inito calculations of a realistic HfO2/SiO2/Si interface and discuss its structural and electronic properties. Calculations reveal a variety of possible non-epitaxial atomic arrangements at the interface, associated with a substantial atomic disorder in the SiO2 and HfO2 region. Calculated band alignment, although predictably smaller than experimental values, allows for instructive analysis of band gap variation, dipole formation and defects near the interface.
引用
收藏
页码：2412 / 2415
页数：4
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