Formation energies of substitutional N-As and split interstitial complexes in dilute GaAsN alloys with different growth orientations
Li J(李健)1,2; Han XX(韩修训)2; Dong C(董琛)2,3; Fan, Changzeng4; Han XX(韩修训)
刊名Applied Physics A-MATERIALS SCIENCE & PROCESSING
2018
卷号124期号:2页码:108(1-5)
ISSN号0947-8396
DOI10.1007/s00339-017-1536-7
英文摘要

To quantitatively evaluate the formation energies of the (N–N)As/(N–As)As/(As–As)As split interstitials in dilute GaAsN alloys, first-principles total-energy calculations using a projector augmented wave method are performed. The formation energies for different defects are calculated as a function of the atomic chemical potentials of constituent elements. We compare the formation energies for the NAs substitution and split interstitial complexes based on the traditional (100) and high-index GaAs (311) A/B plane under Ga-rich and As-rich conditions. According to the results of comparison, the chemical potential condition of forming-related defect and the dominant defect for all planes are determined.

学科主题材料科学与物理化学
资助项目光电材料与器件研究组
语种英语
WOS记录号WOS:000424515500036
资助机构the National Natural Science Foundation of China (Grant No. 61376066)
内容类型期刊论文
源URL[http://ir.licp.ac.cn/handle/362003/23726]  
专题兰州化学物理研究所_清洁能源化学与材料实验室
通讯作者Han XX(韩修训)
作者单位1.Qinghai Normal Univ, Coll Phys & Elect Informat Engn, Xining 810000, Qinghai, Peoples R China
2.Chinese Acad Sci, Lanzhou Inst Chem Phys, Lab Clean Energy Chem & Mat, Lanzhou 730000, Gansu, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100080, Peoples R China
4.Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China
推荐引用方式
GB/T 7714
Li J,Han XX,Dong C,et al. Formation energies of substitutional N-As and split interstitial complexes in dilute GaAsN alloys with different growth orientations[J]. Applied Physics A-MATERIALS SCIENCE & PROCESSING,2018,124(2):108(1-5).
APA Li J,Han XX,Dong C,Fan, Changzeng,&韩修训.(2018).Formation energies of substitutional N-As and split interstitial complexes in dilute GaAsN alloys with different growth orientations.Applied Physics A-MATERIALS SCIENCE & PROCESSING,124(2),108(1-5).
MLA Li J,et al."Formation energies of substitutional N-As and split interstitial complexes in dilute GaAsN alloys with different growth orientations".Applied Physics A-MATERIALS SCIENCE & PROCESSING 124.2(2018):108(1-5).
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