Mechanism for self-compensation in heavily carbon doped GaN

Heavy carbon (C) doping is of great significance for semi-insulating GaN in power electronics. However, the doping behaviors, especially the atomic configurations and related self-compensation mechanisms, are still under debate. Here, with the formation energy as the input parameter, the concentrati...

Full description

Bibliographic Details
Main Authors: Zhaohua Shen, Xuelin Yang, Shan Wu, Huayang Huang, Xiaolan Yan, Ning Tang, Fujun Xu, Xinqiang Wang, Weikun Ge, Bing Huang, Bo Shen
Format: Article
Language:English
Published: AIP Publishing LLC 2023-03-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/5.0133421
_version_ 1797771887072247808
author Zhaohua Shen
Xuelin Yang
Shan Wu
Huayang Huang
Xiaolan Yan
Ning Tang
Fujun Xu
Xinqiang Wang
Weikun Ge
Bing Huang
Bo Shen
author_facet Zhaohua Shen
Xuelin Yang
Shan Wu
Huayang Huang
Xiaolan Yan
Ning Tang
Fujun Xu
Xinqiang Wang
Weikun Ge
Bing Huang
Bo Shen
author_sort Zhaohua Shen
collection DOAJ
description Heavy carbon (C) doping is of great significance for semi-insulating GaN in power electronics. However, the doping behaviors, especially the atomic configurations and related self-compensation mechanisms, are still under debate. Here, with the formation energy as the input parameter, the concentrations of C defects with different atomic configurations are calculated by taking the configurational entropy into account. The result shows that the concentrations of tri-carbon complexes (CNCiCN, where Ci refers to interstitial carbon) and dicarbon complexes (CNCGa) cannot be neglected under heavy doping conditions. The concentration of CNCiCN can even exceed that of CN at sufficiently high doping levels. Especially, we suggest that it is the tri-carbon complex CNCiCN, instead of the commonly expected CGa, that acts as the self-compensation centers in semi-insulating GaN under heavy C doping conditions. The results provide a fresh look on the long-standing problem about the self-compensation mechanisms in C doped GaN.
first_indexed 2024-03-12T21:44:05Z
format Article
id doaj.art-29470361e11143e79e679c14aa7b4233
institution Directory Open Access Journal
issn 2158-3226
language English
last_indexed 2024-03-12T21:44:05Z
publishDate 2023-03-01
publisher AIP Publishing LLC
record_format Article
series AIP Advances
spelling doaj.art-29470361e11143e79e679c14aa7b42332023-07-26T14:03:57ZengAIP Publishing LLCAIP Advances2158-32262023-03-01133035026035026-510.1063/5.0133421Mechanism for self-compensation in heavily carbon doped GaNZhaohua Shen0Xuelin Yang1Shan Wu2Huayang Huang3Xiaolan Yan4Ning Tang5Fujun Xu6Xinqiang Wang7Weikun Ge8Bing Huang9Bo Shen10State Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaBeijing Computational Science Research Center, Beijing 100193, Jiangsu, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaBeijing Computational Science Research Center, Beijing 100193, Jiangsu, People’s Republic of ChinaState Key Laboratory of Artificial Microstructure and Mesoscopic Physics, Nano-optoelectronics Frontier Center of Ministry of Education, School of Physics, Peking University, Beijing 100871, People’s Republic of ChinaHeavy carbon (C) doping is of great significance for semi-insulating GaN in power electronics. However, the doping behaviors, especially the atomic configurations and related self-compensation mechanisms, are still under debate. Here, with the formation energy as the input parameter, the concentrations of C defects with different atomic configurations are calculated by taking the configurational entropy into account. The result shows that the concentrations of tri-carbon complexes (CNCiCN, where Ci refers to interstitial carbon) and dicarbon complexes (CNCGa) cannot be neglected under heavy doping conditions. The concentration of CNCiCN can even exceed that of CN at sufficiently high doping levels. Especially, we suggest that it is the tri-carbon complex CNCiCN, instead of the commonly expected CGa, that acts as the self-compensation centers in semi-insulating GaN under heavy C doping conditions. The results provide a fresh look on the long-standing problem about the self-compensation mechanisms in C doped GaN.http://dx.doi.org/10.1063/5.0133421
spellingShingle Zhaohua Shen
Xuelin Yang
Shan Wu
Huayang Huang
Xiaolan Yan
Ning Tang
Fujun Xu
Xinqiang Wang
Weikun Ge
Bing Huang
Bo Shen
Mechanism for self-compensation in heavily carbon doped GaN
AIP Advances
title Mechanism for self-compensation in heavily carbon doped GaN
title_full Mechanism for self-compensation in heavily carbon doped GaN
title_fullStr Mechanism for self-compensation in heavily carbon doped GaN
title_full_unstemmed Mechanism for self-compensation in heavily carbon doped GaN
title_short Mechanism for self-compensation in heavily carbon doped GaN
title_sort mechanism for self compensation in heavily carbon doped gan
url http://dx.doi.org/10.1063/5.0133421
work_keys_str_mv AT zhaohuashen mechanismforselfcompensationinheavilycarbondopedgan
AT xuelinyang mechanismforselfcompensationinheavilycarbondopedgan
AT shanwu mechanismforselfcompensationinheavilycarbondopedgan
AT huayanghuang mechanismforselfcompensationinheavilycarbondopedgan
AT xiaolanyan mechanismforselfcompensationinheavilycarbondopedgan
AT ningtang mechanismforselfcompensationinheavilycarbondopedgan
AT fujunxu mechanismforselfcompensationinheavilycarbondopedgan
AT xinqiangwang mechanismforselfcompensationinheavilycarbondopedgan
AT weikunge mechanismforselfcompensationinheavilycarbondopedgan
AT binghuang mechanismforselfcompensationinheavilycarbondopedgan
AT boshen mechanismforselfcompensationinheavilycarbondopedgan