@Article{CL.2024.214.365,
AUTHOR = {H. Ambreen, S. Saleem, S. A. Aldaghfag, M. Zahid, S. Noreen, M. Ishfaq, M. Yaseen},
TITLE = {Exploring of Be<sub>1-x</sub>Cr<sub>x</sub>Se alloys for spintronics and optoelectronic applications},
JOURNAL = {Chalcogenide Letters},
VOLUME = {21},
YEAR = {2024},
NUMBER = {4},
PAGES = {365--375},
URL = {http://www.techscience.com/CL/v21n4/65047},
ISSN = {1584-8663},
ABSTRACT = {In this study, spin polarized density functional theory (DFT) is implemented to predict 
physical characteristic of Be<sub>1-x</sub>Cr<sub>x</sub>Se (x = 6.25%, 12.5%, 18.75%, 25%) compound. The 
electronic characteristics of pure BeSe compound show semiconductor behavior but after 
Cr doping BeSe elucidate half-metallic ferromagnetism (HMF) for all doping 
concentrations. The outcomes elucidate the total magnetic moment MTot per Cr-atom are 
4.0028, 4.0027, 4.0021 and 4.0002 μB for 6.25%, 12.5%, 18.75%, 25% concentrations, 
respectively and the magnetism mainly originated from d-state of the impurity atom which 
is further ensured from the magnetic spin density. Furthermore, the optical parameters are 
also computed to determine the effect of doping on the material’s response to incident 
light of energy spanning from 0 to 10 eV. The optical study depict that the studied systems 
possess maximum absorbance and optical conductivity in UV-range with minimal 
reflection. The overall outcomes illustrate that the Cr doped beryllium selenide (BeSe) is 
promising material for spintronic and optoelectronic devices. },
DOI = {10.15251/CL.2024.214.365}
}