Affordable Access

Publisher Website

Electronic structures of high-ktransition metal silicates: first-principles calculations

Authors
Journal
Microelectronics Journal
0026-2692
Publisher
Elsevier
Publication Date
Volume
35
Issue
8
Identifiers
DOI: 10.1016/j.mejo.2004.04.006
Keywords
  • Tm Silicates
  • High-K
  • Ab-Initio Calculation
  • Band Gap
  • Density Of States (Dos)

Abstract

Abstract 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.

There are no comments yet on this publication. Be the first to share your thoughts.