@Article{CL.2023.2012.903,
AUTHOR = {Y. Jie, S. R. Zhang, H. J. Hou, L. H. Xie},
TITLE = {Theoretical study on structural, electronic structure, elastic and optical properties of α-Cu<sub>2</sub>S},
JOURNAL = {Chalcogenide Letters},
VOLUME = {20},
YEAR = {2023},
NUMBER = {12},
PAGES = {903--913},
URL = {http://www.techscience.com/CL/v20n12/65098},
ISSN = {1584-8663},
ABSTRACT = {Based on the first-principles method, the electronic structure, mechanical and optical 
properties of α-Cu<sub>2</sub>S are studied. The results show that the optimized structural parameters 
are in good agreement with the experimental value. The energy band structure and density 
of states of α-Cu<sub>2</sub>S is obtained by calculation and analysis. The mechanical properties such 
as bulk modulus, shear modulus, Young's modulus and Poisson's ratio are calculated at 
different pressures. At last, the dielectric function, refractive index, absorption coefficient 
and reflectivity of α-Cu<sub>2</sub>S is analyzed. It was found that α-Cu<sub>2</sub>S is a direct bandgap with a 
band gap of 1.2 eV and has good potential for optoelectronic applications. },
DOI = {10.15251/CL.2023.2012.903}
}