Intrinsic and defect-assisted trapping of electrons and holes in HfO2:: an ab initio study

被引：10
|
作者：
Ramo, D. Munoz
Gavartin, J. L.
Shluger, A. L.
Bersuker, G.
机构：
[1] UCL, London Ctr Nanotechnol, London W1N 8AA, England
[2] UCL, Dept Phys & Astron, London W1N 8AA, England
[3] Contract Res Serv Dept, Cambridge, England
[4] SEMATECH, Austin, TX 78741 USA
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; electron traps; ab initio calculations; polarons; HfO(2);
D O I：
10.1016/j.mee.2007.04.001
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 predict, by means of ab initio calculations, the existence of electron and hole polaron states in m-HfO(2). Holes were found to self-trap on 3- and 4- coordinated oxygen ions while electron polaron is localized over three neighboring Hf atoms. We calculated the self-trapping energies, diffusion barriers, ionization energies and ESR g-tensors characterizing these polaron states. Both types of polarons have very small hopping diffusion barriers, less than 0.1 eV, and should be mobile at low temperatures.
引用
收藏
页码：2362 / 2365
页数：4
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