Electronic structures of high-k transition metal silicates:: first-principles calculations

被引：5
作者：
Samantaray, CB [1 ]
Sim, H [1 ]
Hwang, H [1 ]
机构：
[1] Kwangju Inst Sci & Technol, Dept Mat Sci & Engn, Kwangju 500712, South Korea
来源：
MICROELECTRONICS JOURNAL | 2004年 / 35卷 / 08期
关键词：
TM silicates; high-k; ab-initio calculation; band gap; density of states (DOS);
D O I：
10.1016/j.mejo.2004.04.006
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：
The energy band gaps and total density of states of different transitional metal (Sc, Zr) silicates have been studied using density functional theory and local density approximation. The problem of a decreasing band gap in Zr silicate predicts the band offset reduction from the introduction of 4d state below the conduction band edge. While, in case of Sc silicate, there is no such decrease in the band gap and it becomes more suitable for the device performances. (C) 2004 Elsevier Ltd. All rights reserved.
引用
收藏
页码：655 / 658
页数：4
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