High-pressure dynamic, thermodynamic properties, and hardness of CdP2

	High-pressure dynamic, thermodynamic properties, and hardness of CdP2
	Feng, Shi-Quan 1; Wang, Ling-Li 1; Jiang, Xiao-Xu 2; Li, Hai-Nin 1; Cheng, Xin-Lu 2; Su, Lei 1,3
刊名	CHINESE PHYSICS B
	2017-04-01
卷号	26 期号:4
关键词	High Pressure Phase Transition Thermodynamic Properties Hardness
英文摘要	Using a pseudopotential plane-waves method, we calculate the phonon dispersion curves, thermodynamic properties, and hardness values of alpha-CdP2 and beta-CdP2 under high pressure. From the studies of the phonon property and enthalpy difference curves, we discuss a phase transform from beta-CdP2 to alpha-CdP2 in a pressure range between 20 GPa and 25 GPa. Then, the thermodynamic properties, Debye temperatures, and heat capacities are investigated at high pressures. What is more, we employ a semiempirical method to evaluate the pressure effects on the hardness for these two crystals. The results show that the hardness values of both alpha-CdP2 and beta-CdP2 increase as pressure is increased. The influence mechanism of the pressure effect on the hardness of CdP2 is also briefly discussed.
语种	英语
内容类型	期刊论文
源URL	[http://ir.iccas.ac.cn/handle/121111/39055]
专题	化学研究所_光化学实验室
作者单位	1.Zhengzhou Univ Light Ind, High Pressure Res Ctr Sci & Technol, Zhengzhou 450002, Peoples R China 2.Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China 3.Chinese Acad Sci, Inst Chem, Key Lab Photochem, Beijing 100190, Peoples R China
推荐引用方式 GB/T 7714	Feng, Shi-Quan,Wang, Ling-Li,Jiang, Xiao-Xu,et al. High-pressure dynamic, thermodynamic properties, and hardness of CdP2[J]. CHINESE PHYSICS B,2017,26(4).
APA	Feng, Shi-Quan,Wang, Ling-Li,Jiang, Xiao-Xu,Li, Hai-Nin,Cheng, Xin-Lu,&Su, Lei.(2017).High-pressure dynamic, thermodynamic properties, and hardness of CdP2.CHINESE PHYSICS B,26(4).
MLA	Feng, Shi-Quan,et al."High-pressure dynamic, thermodynamic properties, and hardness of CdP2".CHINESE PHYSICS B 26.4(2017).