Original Research
Physical characteristics of LaCrxAl1-xO3 : DFT approach
H. Javid
a
S. A. Aldaghfag
b
M. K. Butt
a
S. Mubashir
a
M. Yaseen
a
M. Ishfaq
a
S. Saleem
a
H. Elhosiny Ali
c
H. H. Hegazy
c

aSpin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics, University of Agriculture Faisalabad 38040, Pakistan

bDepartment of Physics, College of Sciences, Princess Nourah bint Abdulrahman University, P. O. Box 84428, Riyadh 11671, Saudi Arabia

cResearch Center for Advanced Materials Science (RCAMS), King Khalid

University, Abha 61413, P. O. Box 9004, Saudi Arabia.

dDepartment of Physics, Faculty of Science, King Khalid University, P.O. Box

9004, Abha, Saudi Arabia.


Journal of Ovonic Research 2022, 18(4),481-489; https://doi.org/10.15251/JOR.2022.184.481
Submitted:Mar 28, 2022
Accepted:Jul 01, 2022
Published:Jun 01, 2022
+
Cite This Article
H. Javid ,S. A. Aldaghfag ,M. K. Butt ,S. Mubashir ,M. Yaseen ,M. Ishfaq ,S. Saleem ,H. Elhosiny Ali ,H. H. Hegazy . (2022). Journal of Ovonic Research. Physical characteristics of LaCrxAl1-xO3 : DFT approach, 18(4), ,481-489. https://doi.org/10.15251/JOR.2022.184.481
Abstract

The magnetic, electronic, and optical properties of Cr doped LaAlO3 are examined by Full Potential linearized augmented plane wave (FP-LAPW) method within Density functional theory (DFT). The pure compound (LaAlO3) is doped with different concentrations of chromium (Cr) to examine the doping effects on its characteristics. The calculations of band structure (BS) and density of states show Cr has major contribution while La, Al and O atoms have little involvement in the states near Fermi level. The magnetic features revealed that Cr plays major participation in ferromagnetic nature of LaCrxAl1-xO3. The results of electronic and optical revealed that the compound under study is suitable for spintronics and optoelectronics applications.

©2026 by the authors. Submitted for possible open access publication under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
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