Tutorial: Defects in semiconductors—Combining experiment and theory

Alkauskas, Audrius; McCluskey, Matthew D.; Van de Walle, Chris G.

doi:10.1063/1.4948245

Title: Tutorial: Defects in semiconductors—Combining experiment and theory

Journal Article · 12 May 2016 · Journal of Applied Physics

DOI: https://doi.org/10.1063/1.4948245 · OSTI ID:1471061

Alkauskas, Audrius ^[1];

^[2];

^[3]

Center for Physical Sciences and Technology, Vilnius, (Lithuania)
Washington State Univ., Pullman, WA (United States). Dept. of Physics and Astronomy
Univ. of California, Santa Barbara, CA (United States). Materials Dept.

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. Here 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.

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Research Organization:: Univ. of California, Santa Barbara, CA (United States); Washington State Univ., Pullman, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division

Grant/Contract Number:: SC0010689; FG02-07ER46386

OSTI ID:: 1471061

Alternate ID(s):: OSTI ID: 1252795; OSTI ID: 1489137

Journal Information:: Journal of Applied Physics, Vol. 119, Issue 18; ISSN 0021-8979

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 273 works

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Optical Properties of the Oxygen Vacancy in KNbO3 Crystal Jiao, Xuping; Liu, Tingyu; Lu, Yazhou Journal of Electronic Materials, Vol. 49, Issue 3 https://doi.org/10.1007/s11664-019-07900-5	journal	January 2020
Noble gas as a functional dopant in ZnO Malyi, Oleksandr I.; Sopiha, Kostiantyn V.; Persson, Clas npj Computational Materials, Vol. 5, Issue 1 https://doi.org/10.1038/s41524-019-0174-3	journal	March 2019
Point defect engineering in thin-film solar cells Park, Ji Sang; Kim, Sunghyun; Xie, Zijuan Nature Reviews Materials, Vol. 3, Issue 7 https://doi.org/10.1038/s41578-018-0026-7	journal	June 2018
Intrinsic point defects in β -In ₂ S ₃ studied by means of hybrid density-functional theory Ghorbani, Elaheh; Albe, Karsten Journal of Applied Physics, Vol. 123, Issue 10 https://doi.org/10.1063/1.5020376	journal	March 2018
Phonon characteristics of Si‐doped InAs grown by gas‐source molecular beam epitaxy Talwar, Devki N.; Lin, Hao‐Hsiung; Feng, Zhe Chuan Journal of Raman Spectroscopy, Vol. 50, Issue 11 https://doi.org/10.1002/jrs.5703	journal	July 2019
Pulsed photo-ionization spectroscopy of traps in as-grown and neutron irradiated ammonothermally synthesized GaN Gaubas, E.; Čeponis, T.; Meškauskaite, D. Scientific Reports, Vol. 9, Issue 1 https://doi.org/10.1038/s41598-018-38138-6	journal	February 2019
Probing the impact of surface reactivity on charge transport in dimensional phase changed tungsten films Chattaraj, Ananya; Khan, Saif; Walczak, Lukasz Journal of Materials Science: Materials in Electronics, Vol. 30, Issue 9 https://doi.org/10.1007/s10854-019-01145-y	journal	March 2019
Review—The Physics of Recombinations in III-Nitride Emitters David, Aurelien; Young, Nathan G.; Lund, Cory ECS Journal of Solid State Science and Technology, Vol. 9, Issue 1 https://doi.org/10.1149/2.0372001jss	journal	January 2020
Distinguishing quantum dot-like localized states from quantum well-like extended states across the exciton emission line in a quantum well Bhuyan, Sumi; Mondal, Richarj; Pal, Bipul arXiv https://doi.org/10.48550/arxiv.1808.00701	text	January 2018
The hunt for the third acceptor in CuInSe ₂ and Cu(In,Ga)Se ₂ absorber layers Babbe, Finn; Elanzeery, Hossam; Wolter, Max H. Journal of Physics: Condensed Matter, Vol. 31, Issue 42 https://doi.org/10.1088/1361-648x/ab2e24	journal	July 2019
Beyond the one-dimensional configuration coordinate model of photoluminescence Jia, Yongchao; Poncé, Samuel; Miglio, Anna Physical Review B, Vol. 100, Issue 15 https://doi.org/10.1103/physrevb.100.155109	journal	October 2019
The Role of the Cu on OSL Emission in Gamma-LiAlO2:Cu Crystal Xu, Xun; Liu, Tingyu; Lu, Yazhou Journal of Electronic Materials, Vol. 49, Issue 4 https://doi.org/10.1007/s11664-020-07952-y	journal	January 2020
Progress of Surface Science Studies on ABX ₃ ‐Based Metal Halide Perovskite Solar Cells Qiu, Longbin; He, Sisi; Ono, Luis K. Advanced Energy Materials, Vol. 10, Issue 13 https://doi.org/10.1002/aenm.201902726	journal	April 2020
Tutorial: Junction spectroscopy techniques and deep-level defects in semiconductors Peaker, A. R.; Markevich, V. P.; Coutinho, J. Journal of Applied Physics, Vol. 123, Issue 16 https://doi.org/10.1063/1.5011327	journal	April 2018
Deep donor state of the copper acceptor as a source of green luminescence in ZnO Lyons, J. L.; Alkauskas, A.; Janotti, A. Applied Physics Letters, Vol. 111, Issue 4 https://doi.org/10.1063/1.4995404	journal	July 2017
Dispelling the Myth of Passivated Codoping in TiO₂ Williamson, Benjamin A. D.; Buckeridge, John; Chadwick, Nicholas P. Chemistry of Materials, Vol. 31, Issue 7 https://doi.org/10.1021/acs.chemmater.9b00257	journal	March 2019
First-principles calculations of thermal electron emission from H$^-$ in silicon Yamamoto, Yoshiyuki; Tatan, Alpin Novianus; Sugino, Osamu arXiv https://doi.org/10.48550/arxiv.2005.14103	preprint	January 2020
Optical signatures of single ion tracks in ZnO Vásquez, G. C.; Johansen, K. M.; Galeckas, A. Nanoscale Advances, Vol. 2, Issue 2 https://doi.org/10.1039/c9na00677j	journal	January 2020
First-principles study of alloying effects on fluorine incorporation in Al _x Ga _{1− x} N alloys Wang, Rong; Tan, Wei; Zhang, Jian Journal of Physics D: Applied Physics, Vol. 51, Issue 6 https://doi.org/10.1088/1361-6463/aaa589	journal	January 2018
Spectroscopy of defects in CdZnTe structures Gaubas, E.; Ceponis, T.; Deveikis, L. Semiconductor Science and Technology, Vol. 34, Issue 11 https://doi.org/10.1088/1361-6641/ab4782	journal	October 2019
Raman investigation of N‐implanted ZnO: Defects, disorder and recovery Mondal, Apu; Pal, S.; Sarkar, A. Journal of Raman Spectroscopy, Vol. 50, Issue 12 https://doi.org/10.1002/jrs.5732	journal	September 2019