中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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
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
DOI10.1142/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
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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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