Density functional study on helium and hydrogen interstitials in silicon carbide
文献类型：期刊论文
| 作者 | Cheng, Wei1; Ying, Min-Ju1; Zhang, Feng-Shou1,2,4; Zhou, Hong-Yu1; Ren, Shang-Fen3 |
| 刊名 | NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS
 |
| 出版日期 | 2011-10-01 |
| 卷号 | 269页码:2067-2074 |
| 关键词 | Helium interstitials Hydrogen interstitials Ab initio simulation Silicon carbide Phonon |
| ISSN号 | 0168-583X |
| DOI | 10.1016/j.nimb.2011.06.012 |
| 英文摘要 | Silicon carbide with various defects such as carbon or silicon vacancies, anti-sites, and helium or hydrogen interstitials are studied in detail by ab initio calculations. The energy minimized structures of vacancies and helium or hydrogen interstitials are investigated. The calculated electronic spectra explain well some of the important features of silicon carbide observed in experiments. The phonon spectra of silicon carbide with hydrogen interstitials between silicon and carbon bond are calculated, and the frequency of the hydrogen-carbon stretching mode is consistent with experiments. (C) 2011 Elsevier B.V. All rights reserved. |
| WOS关键词 | INITIO MOLECULAR-DYNAMICS ; TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; SIC/SIC COMPOSITES ; OPTICAL-PROPERTIES ; BAND-STRUCTURE ; SIC POLYTYPES ; DEFECTS ; LUMINESCENCE ; COMPLEXES |
| 资助项目 | National Natural Science Foundation of China[11025524] ; National Basic Research Program of China[2010CB832903] ; Doctoral Station Foundation of Ministry of Education of China[200800270017] ; Fundamental Research Funds for the Central Universities ; [NSFC-10634070] |
| WOS研究方向 | Instruments & Instrumentation ; Nuclear Science & Technology ; Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000294936400005 |
| 出版者 | ELSEVIER SCIENCE BV |
| 资助机构 | National Natural Science Foundation of China ; National Basic Research Program of China ; Doctoral Station Foundation of Ministry of Education of China ; Fundamental Research Funds for the Central Universities |
| 源URL | [http://119.78.100.186/handle/113462/33297]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Zhang, Feng-Shou |
| 作者单位 | 1.Beijing Normal Univ, Coll Nucl Sci & Technol, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Illinois State Univ, Dept Phys, Normal, IL 61790 USA 4.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Peoples R China |
| 推荐引用方式 GB/T 7714 | Cheng, Wei,Ying, Min-Ju,Zhang, Feng-Shou,et al. Density functional study on helium and hydrogen interstitials in silicon carbide[J]. NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,2011,269:2067-2074. |
| APA | Cheng, Wei,Ying, Min-Ju,Zhang, Feng-Shou,Zhou, Hong-Yu,&Ren, Shang-Fen.(2011).Density functional study on helium and hydrogen interstitials in silicon carbide.NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS,269,2067-2074. |
| MLA | Cheng, Wei,et al."Density functional study on helium and hydrogen interstitials in silicon carbide".NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS 269(2011):2067-2074. |
入库方式： OAI收割
来源：近代物理研究所
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