Journal
JOURNAL OF ALLOYS AND COMPOUNDS
Volume 695, Issue -, Pages 3605-3611Publisher
ELSEVIER SCIENCE SA
DOI: 10.1016/j.jallcom.2016.11.402
Keywords
Cadmium sulfide; Cu-doping; Density of states; DFT calculations; Optical properties
Ask authors/readers for more resources
This computational study is focused on the optical properties of Cu doped CdS for various supercell configurations. In this regard, Cd atoms are substituted by Cu atoms at various lattice positions and the results are almost similar except in the case of 2 x 2 x 2 supercell which involves more correlations and atomic interactions than those involved in other supercell configurations. Also by increasing the supercell size the optical properties are changed. The study has been performed by applying density functional theory in the Wien2K code using PBE-GGA approximations. The addition of Cu into CdS may be responsible for p-type character of CdS as illustrated by PDOS and TDOS calculations. The optical absorption increases in visible range but shows oscillatory trend in the UV region. However, doping of Cu into CdS lattice illustrates an enhancement in its electro-optical properties. (C) 2016 Elsevier B.V. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available