@Article{CL.2025.2212.987,
AUTHOR = {S. H. Fan, Y. S. Song, H. J. Hou, H. L. Guo, S. R. Zhang},
TITLE = {Theoretical Simulation of the Physical Properties of Solar Energy Material α-Cu<sub>2</sub>Se},
JOURNAL = {Chalcogenide Letters},
VOLUME = {22},
YEAR = {2025},
NUMBER = {12},
PAGES = {987--997},
URL = {http://www.techscience.com/CL/v22n12/65645},
ISSN = {1584-8663},
ABSTRACT = {Using first-principles calculations, the physical behavior of α-Cu<sub>2</sub>Se are thoroughly examined. The computed
structural parameters align closely with experimental data. Through computational analysis, the electronic properties
for α-Cu<sub>2</sub>Se are determined. Additionally, mechanical characteristics-including bulk modulus B, shear modulus G, Young’s modulus E, and B/G are evaluated under varying pressure conditions. Furthermore, the optical properties are investigated. The study reveals that α-Cu<sub>2</sub>Se exhibits a direct bandgap of 0.782 eV, indicating its promising potential
for optoelectronic applications.},
DOI = {10.15251/CL.2025.2212.987}
}