Extended Frenkel pairs and band alignment at metal-oxide interfaces

被引：26

作者：

Sharia, O. ^{[1
]}

Tse, K. ^{[2
]}

Robertson, J. ^{[2
]}

Demkov, Alexander A. ^{[1
]}

机构：

[1] Univ Texas Austin, Dept Phys, Austin, TX 78712 USA

[2] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 12期

基金：

美国国家科学基金会;

关键词：

catalysts; charge exchange; CMOS integrated circuits; dielectric materials; energy states; extended defects; Fermi level; Frenkel defects; hafnium compounds; interface structure; nickel; rhodium; work function; TOTAL-ENERGY CALCULATIONS; 1ST-PRINCIPLES; OFFSETS; GATES;

D O I：

10.1103/PhysRevB.79.125305

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show how oxygen vacancies in metal oxides next to high-work-function metals are stabilized by an oxygen exchange reaction with the metal, and by a charge transfer from the vacancy energy level to the metal Fermi level. The results help explain some of the Fermi-level pinning problems in high-k dielectric gate stacks in complimentary metal oxide semiconductor technology and also explain the driving force behind the strong metal-support interaction in oxide-supported catalysts.

引用

页数：8

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