The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation

doi:10.1142/S0217979218503174

	The dependence of elastic properties of Cr(2)AC(A = Al, Ge) compounds on pressure by First-principle calculation
	Shao, Ya Ping 1; Ling, Weidong 1; Duan, JiZheng 2; Yang, Yang 1; Jiang, Xin 3; Duan, Wen Shan 1
刊名	INTERNATIONAL JOURNAL OF MODERN PHYSICS B
	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.
资助项目	National Natural Science Foundation of China[11747306] ; National Natural Science Foundation of China[11565022]
WOS关键词	GPA ; BEHAVIOR ; CR2GEC
WOS研究方向	Physics
语种	英语
出版者	WORLD SCIENTIFIC PUBL CO PTE LTD
WOS记录号	WOS:000449472600012
内容类型	期刊论文
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).