Property of mono-vacancy in MAX phase M(3)AC(2) (M=Ti, A=Al, Si, or Ge): First-principles calculations
文献类型：期刊论文
| 作者 | Chen, L.1 ; Duan, G.2; Gao, X. F.3; Wang, C. L.3
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| 刊名 | MODERN PHYSICS LETTERS B
 |
| 出版日期 | 2018-05-30 |
| 卷号 | 32期号:15页码:1850160 |
| 关键词 | M(n+1)AX(n) phase materials vacancy first-principles calculations |
| ISSN号 | 0217-9849 |
| DOI | 10.1142/S0217984918501609 |
| 英文摘要 | The formation and migration energies of the mono-vacancy in M(3)AC(2) have been investigated using first-principles calculations. The results have shown that M element vacancy formation is the most energetically difficult in M(3)AC(2). The A atomic layer is the most active one. It was also found that the energies of mono-vacancy formation and migration in Ti3AlC2 are higher than that in Ti3SiC2 and Ti3GeC2. Moreover, our calculation of the density of state confirms the conclusion that Ti3AlC2 is the most stable in the selected M(3)AC(2) materials under high-temperature or irradiation environment conditions. These results could provide theoretical insights for the experimental results that Ti3AlC2 has a better radiation resistance than Ti3SiC2 and Ti3GeC2. |
| WOS关键词 | TEMPERATURE-RANGE ; TI2ALC ; CARBIDES ; TI3ALC2 ; TI3SIC2 |
| 资助项目 | Key Constructive Discipline of Lanzhou City University of China[LZCU-ZDJSXK-201709] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000433096500008 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://119.78.100.186/handle/113462/56853]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Duan, G. |
| 作者单位 | 1.Lanzhou City Univ, Dept Math, Lanzhou 730070, Gansu, Peoples R China 2.Lanzhou Jiaotong Univ, Sch Traff & Transportat, Lanzhou 730070, Gansu, Peoples R China 3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Gansu, Peoples R China |
| 推荐引用方式 GB/T 7714 | Chen, L.,Duan, G.,Gao, X. F.,et al. Property of mono-vacancy in MAX phase M(3)AC(2) (M=Ti, A=Al, Si, or Ge): First-principles calculations[J]. MODERN PHYSICS LETTERS B,2018,32(15):1850160. |
| APA | Chen, L.,Duan, G.,Gao, X. F.,&Wang, C. L..(2018).Property of mono-vacancy in MAX phase M(3)AC(2) (M=Ti, A=Al, Si, or Ge): First-principles calculations.MODERN PHYSICS LETTERS B,32(15),1850160. |
| MLA | Chen, L.,et al."Property of mono-vacancy in MAX phase M(3)AC(2) (M=Ti, A=Al, Si, or Ge): First-principles calculations".MODERN PHYSICS LETTERS B 32.15(2018):1850160. |
入库方式： OAI收割
来源：近代物理研究所
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