Microscopic origins of electron and hole stability in ZnO

被引：51

作者：

Catlow, C. Richard A. ^{[1
]}

Sokol, Alexey A. ^{[1
]}

Walsh, Aron ^{[1
]}

机构：

[1] UCL, Dept Chem, London WC1H 0AJ, England

来源：

CHEMICAL COMMUNICATIONS | 2011年 / 47卷 / 12期

基金：

英国工程与自然科学研究理事会;

关键词：

ZINC-OXIDE; THIN-FILMS; N-TYPE; HYDROGEN; DEFECTS;

D O I：

10.1039/c1cc10314h

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

We present a fundamental method to assess the doping limits of hetero-polar materials; applied to the case of ZnO, we show clearly that electrons are stable and holes are unstable under the limits of thermodynamic control.

引用

页码：3386 / 3388

页数：3

共 28 条

[1]

Alexandrov A. S., 1996, Polarons and Bipolarons

[2] ZnO diode fabricated by excimer-laser doping [J].

Aoki, T ;

Hatanaka, Y ;

Look, DC .

APPLIED PHYSICS LETTERS, 2000, 76 (22) :3257-3258

[3]

Bae HY, 1999, SENSOR ACTUAT B-CHEM, V55, P47, DOI 10.1016/S0925-4005(99)00038-6

[4] OPTICAL AND ELECTRICAL-PROPERTIES OF RADICAL BEAM GETTERING EPITAXY GROWN N-TYPE AND P-TYPE ZNO SINGLE-CRYSTALS [J].

BUTKHUZI, TV ;

BUREYEV, AV ;

GEORGOBIANI, AN ;

KEKELIDZE, NP ;

KHULORDAVA, TG .

JOURNAL OF CRYSTAL GROWTH, 1992, 117 (1-4) :366-369

[5] Zinc oxide: A case study in contemporary computational solid state chemistry [J].

Catlow, C. Richard A. ;

French, Samuel A. ;

Sokol, Alexey A. ;

Al-Sunaidi, Abdullah A. ;

Woodley, Scott M. .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2008, 29 (13) :2234-2249

[6] A COMPUTER MODELING STUDY OF DEFECT AND DOPANT STATES IN SNO2 [J].

FREEMAN, CM ;

CATLOW, CRA .

JOURNAL OF SOLID STATE CHEMISTRY, 1990, 85 (01) :65-75

[7] Fully Ab Initio Finite-Size Corrections for Charged-Defect Supercell Calculations [J].

Freysoldt, Christoph ;

Neugebauer, Joerg ;

Van de Walle, Chris G. .

PHYSICAL REVIEW LETTERS, 2009, 102 (01)

[8] THE MEANING OF THE OXYGEN 2ND-ELECTRON AFFINITY AND OXIDE POTENTIAL MODELS [J].

HARDING, JH ;

PYPER, NC .

PHILOSOPHICAL MAGAZINE LETTERS, 1995, 71 (02) :113-121

[9] Hydrogen multicentre bonds [J].

Janotti, Anderson ;

Van de Walle, Chris G. .

NATURE MATERIALS, 2007, 6 (01) :44-47

[10] p-type electrical conduction in ZnO thin films by Ga and N codoping [J].

Joseph, M ;

Tabata, H ;

Kawai, T .

JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS & EXPRESS LETTERS, 1999, 38 (11A) :L1205-L1207

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