Oxygen vacancy levels and electron transport in Al2O3

被引：141
作者：
Liu, D. [1 ]
Clark, S. J. [2 ]
Robertson, J. [1 ]
机构：
[1] Univ Cambridge, Dept Engn, Cambridge CB2 1PZ, England
[2] Univ Durham, Dept Phys, Durham DH1 3LE, England
来源：
APPLIED PHYSICS LETTERS | 2010年 / 96卷 / 03期
基金：
英国工程与自然科学研究理事会;
关键词：
aluminium compounds; conduction bands; hopping conduction; vacancies (crystal); valence bands; K INTERPOLY DIELECTRICS; BAND-STRUCTURE; OXIDES; DEFECTS; ALUMINA; IMPACT; GAP;
D O I：
10.1063/1.3293440
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The energy levels of the oxygen vacancy in alpha- and theta-Al2O3 were calculated using the screened exchange hybrid functional, and explain the electron hopping and trapping levels seen in deposited Al2O3 at similar to 1.8 eV below its conduction band edge. The vacancy supports five accessible charge states, from 2+ to 2-. Electron hopping corresponds to the 0/- level, which lies 1.8 eV below the conduction band edge in theta-Al2O3. This level lies much deeper than it does HfO2. The +/0 level lies at 2.8 eV above oxide valence band in theta-Al2O3 and thus below the Si valence band top.
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页数：3
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