DataVXChalcogenide LettersPaper
journal article·2024-12-31Open access

Pressure induced structural, anisotropy and thermal characteristics of MgIn2S4

Yancheng KinderGarten Teachers College, Yancheng, 224051, China, L. M. Pu, S. G. Pei, Yancheng KinderGarten Teachers College, Yancheng, 224051, China, X. H. Tang, Yancheng KinderGarten Teachers College, Yancheng, 224051, China, Z. Yin, School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng, Jiangsu 224051, China, H. J. Hou, School of Materials Science and Engineering, Yancheng Institute of Technology, Yancheng, Jiangsu 224051, China, H. L. Guo, College of Electronic and Information Engineering, Yangtze Normal University, Fuling, 408000, Chongqing, China

Chalcogenide Letters· Volume 21· Issue 12
Publisher pageOpen full text
Source abstract

Abstract

The structural parameter, elastic anisotropy, and thermal properties of cubic MgIn2S4 under pressures is examined using first principles techniques. The determined lattice constant exhibits a high level of concurrence with the values reported in existing literature. Based on the mechanical characteristics, there is an observed enhancement in both ductility and anisotropy of MgIn2S4 under increased pressure. The investigation focuses on the thermal characteristics, encompassing the impact of temperature and pressure on key parameters such as Debye temperature, Grüneisen constant et al.
Source: crossref · Quality: baseline

Research context

OpenAlex topics: Chalcogenide Semiconductor Thin Films · Crystal Structures and Properties · Solid-state spectroscopy and crystallography

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

References (24)

Show source-provided references
1. [1] S. Yang, L. Li, W.H. Yuan, Z.L. Xia, Dalton T. 44, 6374 (2015); https://doi.org/10.1039/C5DT00147A10.1039/C5DT00147A ↗
2. [2] I. Aguilera, P. Palacios, K. Sánchez, P. Wahnón, Phys. Rev. B 81, 075206 (2010)
3. [3] S.N. Baek, T.S. Jeong, C.J. Youn, K.J. Hong, J.S. Park, D.C. Shin, Y.T. Yoo, J. Cryst. Growth 262, 259 (2004); https://doi.org/10.1016/j.jcrysgro.2003.10.01910.1016/j.jcrysgro.2003.10.019 ↗
4. [4] C. Zeng, Q. Zeng, C. H.Dai, L. K. Zhang, Y. M. Hu, Appl. Surf. Sci. 542, 148686 (2021); https://doi.org/10.1016/j.apsusc.2020.14868610.1016/j.apsusc.2020.148686 ↗
5. [5] C. Tablero, J. App. Phys. 114, 033713 (2013); https://doi.org/10.1063/1.481610210.1063/1.4816102 ↗
6. [6] F. Semari, R. Khenata , M. Rabah, A. Bouhemadou, S. Bin Omran, Ali H. Reshak, D. Rached J., Solid State Chem., 183, 2818 (2010); https://doi.org/10.1016/j.jssc.2010.09.02210.1016/j.jssc.2010.09.022 ↗
7. [7] A. Bouhemadou, K. Haddadi, R. Khenata, D. Rached, S. Bin-Omran, Physica B 407, 2295 (2012); https://doi.org/10.1016/j.physb.2012.03.01710.1016/j.physb.2012.03.017 ↗
8. [8] A. K. Kushwaha, R. Khenata, S. Bin Omran Int. J. Mod. Phys. B, 30, 1650018 (2016); https://doi.org/10.1142/S021797921650018110.1142/S0217979216500181 ↗
9. [9] P. Hohenberg, W. Kohn Phys. Rev. B 136, 864 (1964); https://doi.org/10.1103/PhysRev.136.B86410.1103/PhysRev.136.B864 ↗
10. [10] W. Kohn, L. J. Sham Phys. Rev. A 140, 1133(1965); https://doi.org/10.1103/PhysRev.140.A113310.1103/PhysRev.140.A1133 ↗
11. [11] D. Vanderbilt, Phys. Rev. B 41, 7892 (1990); https://doi.org/10.1103/PhysRevB.41.789210.1103/PhysRevB.41.7892 ↗
12. [12] J.P. Perdew, K. Burke, M. Ernzerhof , Phys. Rev. Lett.77, 3865 (1996); https://doi.org/10.1103/PhysRevLett.77.386510.1103/PhysRevLett.77.3865 ↗
13. [13] M.J. Mehl, B.M. Klein, D.A. Papaconstantopoulos, Intermetallic Compounds: Principles and Practice, Vol. I: Principles, John Wiley and Sons, London, 1995.
14. [14] H. Hahn, W. Klingler, Z. Anorg. Allg. Chem. 263, 177 (1950); https://doi.org/10.1002/zaac.1950263040610.1002/zaac.19502630406 ↗
15. [15] M. Born, K. Huang, Dynamical Theory of Crystal Lattices (Oxford: Clarendon) 1954.
16. [16] W. Voigt Lehrbuchder Kristallphysik Teubner Leipzig (1928)
17. [17] A. Reuss, Z. Angew. Math. Mech. 9, 49 (1929); https://doi.org/10.1002/zamm.1929009010410.1002/zamm.19290090104 ↗
18. [18] R. Hill, Proc. Phys. Soc. 65, 349 (1952); https://doi.org/10.1088/0370-1298/65/5/30710.1088/0370-1298/65/5/307 ↗
19. [19] S. F. Pugh, Philos. Mag. 45, 823 (1954); https://doi.org/10.1080/1478644080852049610.1080/14786440808520496 ↗
20. [20] D.G. Pettifor, Mater. Sci. Technol. 8, 345 (1992); https://doi.org/10.1179/02670839279017080110.1179/026708392790170801 ↗
21. [21] N.L. Xu, Y. Chen, S.J. Chen, S. Li, W.B. Zhang, Int. J. Hydrogen Energy 50, 114 (2023); https://doi.org/10.1016/j.ijhydene.2023.06.254 103410.1016/j.ijhydene.2023.06.254 ↗
22. [22] R. Gaillac, P. Pullumbi, F.-X. Coudert, J. Phys. Condens. Matter 28, 275201 (2016); https://doi.org/10.1088/0953-8984/28/27/27520110.1088/0953-8984/28/27/275201 ↗
23. [23] H. J. Hou, F. Su , H. Y. Wang, W. X. Chen, X. W. Lu, S. R. Zhang, L. H. Xie Chalcogenide Lett. 21, 189 (2024)
24. [24] M. A. Blanco, A. Martín Pendás, E. Francisco, J. M. Recio, R.Franco, J. Mol. Struc-Theochem. 368, 245(1996); https://doi.org/10.1016/S0166-1280(96)04658-110.1016/S0166-1280(96)04658-1 ↗