Dam Vedel, C., Gunst, T., Smidstrup, S. and Georgiev, V. P. (2023) Shockley-Read-Hall recombination and trap levels in In 0.53Ga 0.47As point defects from first principles. Physical Review B, 108, 094113. (doi: 10.1103/PhysRevB.108.094113)
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Abstract
We present charge state transition levels of 23 intrinsic defects and dopant substitutions in the compound III-V semiconductor In0.53Ga0.47As, calculated with density functional theory. We also report the Shockley-Read-Hall (SRH) recombination rate and capture coefficients for defects found to have deep trap levels. Our calculations show that seven of the considered defects exhibited deep trap levels capable of acting as electron and hole traps in devices: the AsIn/Ga antisites, the VIn/Ga vacancies, the (In/Ga)As-AsIn/Ga double antisites, and the SnAs substitution. We found that the AsIn antisite exhibits the highest electron-capture coefficient of Cn = 2.2 × 10−5 cm3 s−1 at room temperature. The defect with the highest hole-capture coefficient was found to be the InAs-AsIn double antisite, with Cp = 3.4 × 10−6 cm3 s−1. Furthermore, this defect also causes the highest recombination rate in the intrinsic semiconductor, owing to its likewise relatively large electron-capture coefficient. The defects which are most likely to occur are argued to be the antisites, due to their low formation energies and matching transition levels with experiments. Additionally, it is found that the SnAs substitution also causes a significant recombination in the semiconductor, but it is argued to only be of importance at very high doping levels.
| Item Type: | Articles |
|---|---|
| Additional Information: | This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 860095 MSCAITN-EID DESIGN-EID. |
| Status: | Published |
| Refereed: | Yes |
| Glasgow Author(s) Enlighten ID: | Vedel, Christian Dam and Georgiev, Professor Vihar |
| Authors: | Dam Vedel, C., Gunst, T., Smidstrup, S., and Georgiev, V. P. |
| College/School: | College of Science and Engineering > School of Engineering > Electronics and Nanoscale Engineering |
| Journal Name: | Physical Review B |
| Publisher: | American Physical Society |
| ISSN: | 1098-0121 |
| ISSN (Online): | 1550-235X |
| Copyright Holders: | Copyright © The Author(s) 2023 |
| First Published: | First published in Physical Review B 108:094113 |
| Publisher Policy: | Reproduced under a Creative Commons license |
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