TY  - EJOU
AU  - Hou, H. J. 
AU  - Fan, Su 
AU  - Wang, H. Y. 
AU  - Chen, W. X. 
AU  - Lu, X. W. 
AU  - Zhang, S. R. 
AU  - Xie, L. H. 

TI  - Study of electronic structure, elastic and thermodynamic properties of Cu<sub>2</sub>MgSnS<sub>4</sub> under different pressures
T2  - Chalcogenide Letters

PY  - 2024
VL  - 21
IS  - 2
SN  - 1584-8663

AB  - The electronic structure, elastic and thermodynamic properties of Cu<sub>2</sub>MgSnS<sub>4</sub> was studied based on density functional theory (DFT). The results show that Cu<sub>2</sub>MgSnS<sub>4</sub> is a direct bandgap semiconductor. The B/G of Cu<sub>2</sub>MgSnS<sub>4</sub> is greater than 1.75, indicating that Cu<sub>2</sub>MgSnS<sub>4</sub> is a ductile material. Through the study of thermodynamic properties, it is found that the temperature increases, the bulk modulus B and Debye temperature θ decrease, while the heat capacity C<sub>v</sub>, entropy S, Grüneisen constant γ and thermal expansion coefficient  increase, and the heat capacity is close to the Dulong-Petit limit. As the pressure increases, the bulk modulus B, Debye temperature θ increases, while the entropy S, Grüneisen constant γ and heat capacity C<sub>v</sub> decrease.
KW  - Cu<sub>2</sub>MgSnS<sub>4</sub>
KW  -  Electronic structure
KW  -  Elastic properties
KW  -  Thermodynamic properties

DO  - 10.15251/CL.2024.212.189