Formation energies of substitutional N-As and split interstitial complexes in dilute GaAsN alloys with different growth orientations
文献类型:期刊论文
作者 | Li J(李健)1,2![]() ![]() |
刊名 | Applied Physics A-MATERIALS SCIENCE & PROCESSING
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出版日期 | 2018 |
卷号 | 124期号:2页码:108(1-5) |
ISSN号 | 0947-8396 |
DOI | 10.1007/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) |
源URL | [http://210.77.64.217/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). |
入库方式: OAI收割
来源:兰州化学物理研究所
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