The structural and thermodynamic properties of CaLi2 at high pressure

Ying Guo, Jiali Wang, Xukai Zhang, Jun Li and Haojiang Zhao
Additional contact information
Ying Guo: Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology, Jiangsu Key Laboratory of Big Data Analysis Technology, Nanjing University of Information Science and Technology, Nanjing, P. R. China
Jiali Wang: Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology, Jiangsu Key Laboratory of Big Data Analysis Technology, Nanjing University of Information Science and Technology, Nanjing, P. R. China
Xukai Zhang: Jiangsu Collaborative Innovation Center of Atmospheric Environment and Equipment Technology, Jiangsu Key Laboratory of Big Data Analysis Technology, Nanjing University of Information Science and Technology, Nanjing, P. R. China
Jun Li: ��Mingde New Material Technology Co., Ltd., Anji, Zhejiang, P. R. China
Haojiang Zhao: ��Nanjing Forest Police College No. 28 Wenlanlu, Xianlin District, Nanjing, Jiangsu, P. R. China

International Journal of Modern Physics C (IJMPC), 2023, vol. 34, issue 11, 1-13

Abstract: In this work, the structural, mechanical and thermodynamic properties of CaLi2 in the pressure range of 0–72GPa have been studied. It was found that CaLi2 undergoes a phase transition from P63/mmc to C2/c phase at 25.37GPa and from C2/c to P21/c phase at 55.99GPa, which is consistent with previous experimental and partially theoretical results. Besides, at 0GPa, the lowest enthalpy appears in both P63/mmc and Fd-3m structures, showing the coexistence of these two phases. However, P63/mmc phase is not stable when the pressure is larger than 6GPa. Finally, the elastic of CaLi2 at different pressures was investigated using the elastic stability criterion, and the thermodynamic properties under different pressures are investigated in detail.

Keywords: High-pressure; phase transition; CaLi2; thermodynamic property (search for similar items in EconPapers)
Date: 2023
References: Add references at CitEc
Citations:

Downloads: (external link)
http://www.worldscientific.com/doi/abs/10.1142/S0129183123501401
Access to full text is restricted to subscribers

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:wsi:ijmpcx:v:34:y:2023:i:11:n:s0129183123501401

Ordering information: This journal article can be ordered from

DOI: 10.1142/S0129183123501401

Access Statistics for this article

International Journal of Modern Physics C (IJMPC) is currently edited by H. J. Herrmann

More articles in International Journal of Modern Physics C (IJMPC) from World Scientific Publishing Co. Pte. Ltd.
Bibliographic data for series maintained by Tai Tone Lim ().