Tutorial: Defects in semiconductors-Combining experiment and theory

被引:345
作者
Alkauskas, Audrius [1 ]
McCluskey, Matthew D. [2 ]
Van de Walle, Chris G. [3 ]
机构
[1] Ctr Phys Sci & Technol, LT-01108 Vilnius, Lithuania
[2] Washington State Univ, Dept Phys & Astron, Pullman, WA 99164 USA
[3] Univ Calif Santa Barbara, Dept Mat, Santa Barbara, CA 93106 USA
关键词
1ST-PRINCIPLES CALCULATIONS; POINT-DEFECTS; DX CENTERS; ELECTRON; CAPTURE; GAAS; IDENTIFICATION; LUMINESCENCE; IMPURITIES; EMISSION;
D O I
10.1063/1.4948245
中图分类号
O59 [应用物理学];
学科分类号
摘要
Point defects affect or even completely determine physical and chemical properties of semiconductors. Characterization of point defects based on experimental techniques alone is often inconclusive. In such cases, the combination of experiment and theory is crucial to gain understanding of the system studied. In this tutorial, we explain how and when such comparison provides new understanding of the defect physics. More specifically, we focus on processes that can be analyzed or understood in terms of configuration coordinate diagrams of defects in their different charge states. These processes include light absorption, luminescence, and nonradiative capture of charge carriers. Recent theoretical developments to describe these processes are reviewed. Published by AIP Publishing.
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收藏
页数:11
相关论文
共 91 条
[1]  
Alkauskas A., 2011, DEEP CTR SEMICONDUCT
[2]   Effect of improved band-gap description in density functional theory on defect energy levels in α-quartz [J].
Alkauskas, Audrius ;
Pasquarello, Alfredo .
PHYSICA B-CONDENSED MATTER, 2007, 401 :670-673
[3]   First-principles theory of nonradiative carrier capture via multiphonon emission [J].
Alkauskas, Audrius ;
Yan, Qimin ;
Van de Walle, Chris G. .
PHYSICAL REVIEW B, 2014, 90 (07)
[4]   First-principles theory of the luminescence lineshape for the triplet transition in diamond NV centres [J].
Alkauskas, Audrius ;
Buckley, Bob B. ;
Awschalom, David D. ;
Van de Walle, Chris G. .
NEW JOURNAL OF PHYSICS, 2014, 16
[5]   First-Principles Calculations of Luminescence Spectrum Line Shapes for Defects in Semiconductors: The Example of GaN and ZnO [J].
Alkauskas, Audrius ;
Lyons, John L. ;
Steiauf, Daniel ;
Van de Walle, Chris G. .
PHYSICAL REVIEW LETTERS, 2012, 109 (26)
[6]  
Ashcroft N. W., 1976, Solid State Physics
[7]   Theory of inelastic multiphonon scattering and carrier capture by defects in semiconductors: Application to capture cross sections [J].
Barmparis, Georgios D. ;
Puzyrev, Yevgeniy S. ;
Zhang, X. -G. ;
Pantelides, Sokrates T. .
PHYSICAL REVIEW B, 2015, 92 (21)
[8]   Silicon self-diffusion in isotope heterostructures [J].
Bracht, H ;
Haller, EE ;
Clark-Phelps, R .
PHYSICAL REVIEW LETTERS, 1998, 81 (02) :393-396
[9]   THEORY OF THE ATOMIC AND ELECTRONIC-STRUCTURE OF DX CENTERS IN GAAS AND ALXGA1-XAS ALLOYS [J].
CHADI, DJ ;
CHANG, KJ .
PHYSICAL REVIEW LETTERS, 1988, 61 (07) :873-876
[10]   First-principles determination of defect energy levels through hybrid density functionals and GW [J].
Chen, Wei ;
Pasquarello, Alfredo .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2015, 27 (13)