@Article{CL.2024.212.189,
AUTHOR = {H. J. Hou, Su Fan, H. Y. Wang, W. X. Chen, X. W. Lu, S. R. Zhang, L. H. Xie},
TITLE = {Study of electronic structure, elastic and thermodynamic properties of Cu<sub>2</sub>MgSnS<sub>4</sub> under different pressures},
JOURNAL = {Chalcogenide Letters},
VOLUME = {21},
YEAR = {2024},
NUMBER = {2},
PAGES = {189--200},
URL = {http://www.techscience.com/CL/v21n2/65090},
ISSN = {1584-8663},
ABSTRACT = {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.},
DOI = {10.15251/CL.2024.212.189}
}