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.
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页数：8
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