1 The High Pressure Research Center of Science and Technology, Zhengzhou University of Light Industry, Zhengzhou 450002, China;
2 Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;
3 Key Laboratory of Photochemistry, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China
Using a pseudopotential plane-waves method, we calculate the phonon dispersion curves, thermodynamic properties, and hardness values of α-CdP2 and β-CdP2 under high pressure. From the studies of the phonon property and enthalpy difference curves, we discuss a phase transform from β-CdP2 to α-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 α-CdP2 and β-CdP2 increase as pressure is increased. The influence mechanism of the pressure effect on the hardness of CdP2 is also briefly discussed.
Project supported by the National Natural Science Foundation of China (Grant No. 11547158) and the Doctoral Fund of Zhengzhou University of Light Industry, China (Grant Nos. 2014BSJJ088 and 2015XJJZ022).
Corresponding Authors:
Shi-Quan Feng, Lei Su
E-mail: fengsq2013@126.com;2014079@zzuli.edu.cn
Cite this article:
Shi-Quan Feng(冯世全), Ling-Li Wang(王伶俐), Xiao-Xu Jiang(姜晓旭), Hai-Nin Li(李海宁), Xin-Lu Cheng(程新路), Lei Su(苏磊) High-pressure dynamic, thermodynamic properties, and hardness of CdP2 2017 Chin. Phys. B 26 046301
[1]
Dmitruk N L, Zuev V A and Stepanova M A 1991 Russ. Phys. J. 34 642
[2]
Aleinikova K B, Kozlov A I, Kozlova S G and Sobolev V V 2002 Fiz. Tverd. Tela. 44 1206
[3]
Trukhan V M, Sheleg A U and Fekeshgazi I F 2004 Photoelectronics 13 15
[4]
Lazarev V B, Shevchenko V Y, Grinberg L K and Sobolev V V 1976 Group II-V Semiconductor Compounds (Moscow: Nauka)
[5]
Olofsson O and Gullman J 1970 Acta Cryst. B 26 1883
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.