The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation
文献类型：期刊论文
| 作者 | Shao, Ya Ping1; Ling, Weidong1; Duan, JiZheng2; Yang, Yang1; Jiang, Xin3; Duan, Wen Shan1 |
| 刊名 | INTERNATIONAL JOURNAL OF MODERN PHYSICS B
 |
| 出版日期 | 2018-11-10 |
| 卷号 | 32 |
| 关键词 | MAX phases elastic modulus hardness |
| ISSN号 | 0217-9792 |
| DOI | 10.1142/S0217979218503174 |
| 英文摘要 | MAX phases captured attention ever since they were synthesized. They are suited for different applications, especially in high-temperature and extreme environments. So knowledge of mechanical properties is essential for our applications of MAX phases in different situations. Cr(2)AC(A = Al, Ge) compounds belong to M(2)AX phases. But, few of their physical properties have been studied. This work demonstrated the compression behavior of Cr(2)AC(A = Al, Ge) by first-principles method. The elastic constants were calculated in the range of 0-50 GPa, it is shown that they satisfy the requirement of mechanical stability. The values of bulk moduli, shear moduli, Young's moduli, Possion's ratio and Lame's constant were calculated. We also studied brittleness/ductility of Cr(2)AC(A = Al, Ge). For the more, we studied the dependence of a/a(0), c/c(0) and bulk moduli on the pressure below 50 GPa. In the end, we calculated the Mulliken bond overlap and theoretical hardness. We also discussed the bonding and antibonding. |
| WOS关键词 | GPA ; BEHAVIOR ; CR2GEC |
| 资助项目 | National Natural Science Foundation of China[11747306] ; National Natural Science Foundation of China[11565022] |
| WOS研究方向 | Physics |
| 语种 | 英语 |
| WOS记录号 | WOS:000449472600012 |
| 出版者 | WORLD SCIENTIFIC PUBL CO PTE LTD |
| 源URL | [http://119.78.100.186/handle/113462/64439]  |
| 专题 | 中国科学院近代物理研究所 |
| 通讯作者 | Duan, Wen Shan |
| 作者单位 | 1.Northwest Normal Univ, Coll Phys & Elect Engn, 967 Anning East Rd, Lanzhou 730070, Peoples R China 2.Chinese Acad Sci, Inst Modern Phys, 509 Nanchang Rd, Lanzhou 730070, Peoples R China 3.Chinese Acad Sci, Ningbo Inst & Engn, Key Lab Marine Mat & Protect Technol, 1219 Zhongguan West Rd, Ningbo 315201, Zhejiang, Peoples R China |
| 推荐引用方式 GB/T 7714 | Shao, Ya Ping,Ling, Weidong,Duan, JiZheng,et al. The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation[J]. INTERNATIONAL JOURNAL OF MODERN PHYSICS B,2018,32. |
| APA | Shao, Ya Ping,Ling, Weidong,Duan, JiZheng,Yang, Yang,Jiang, Xin,&Duan, Wen Shan.(2018).The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation.INTERNATIONAL JOURNAL OF MODERN PHYSICS B,32. |
| MLA | Shao, Ya Ping,et al."The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation".INTERNATIONAL JOURNAL OF MODERN PHYSICS B 32(2018). |
入库方式： OAI收割
来源：近代物理研究所
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