Title : ( Synthesis, experimental and theoretical investigations of Zn1xCuxO nanopowders )
Authors: narges ghajari , Ahmad Kompany , T. Movlarooy , fateme roozban , masoud majidiyan ,
Full TextAbstract
Zn1-xCuxO composition (x¼0.00, 0.02, 0.04) has been synthesized via gel-combustion method. The prepared powders were characterized using XRD, TEM and UV–vis spectroscopy. The band structure and the total density of states have been calculated for Zn1-xCuxO (x= 0.0000, 0.0625, 0.1250, 0.1875) using density functional theory (DFT), employing full-potential linearized augmented plane wave method with the generalized gradient approximation (GGA). Our results revealed that with increasing Cu concentration in ZnO, the energy band gap decreases. Also using GGA+U showed that Cu dopant in ZnO causes the spin polarization, expecting the appearance of the magnetic properties in Zn1-xCuxO compound
Keywords
, Gel, combustion Nanopowder ZnO:Cu DFT Band structure DOS
@article{paperid:1032131,
author = {Ghajari, Narges and Kompany, Ahmad and T. Movlarooy and Roozban, Fateme and Majidiyan, Masoud},
title = {Synthesis, experimental and theoretical investigations of Zn1xCuxO nanopowders},
journal = {Journal of Magnetism and Magnetic Materials},
year = {2013},
volume = {325},
number = {1},
month = {January},
issn = {0304-8853},
pages = {42--46},
numpages = {4},
keywords = {Gel-combustion
Nanopowder
ZnO:Cu
DFT
Band structure
DOS},
}
%0 Journal Article
%T Synthesis, experimental and theoretical investigations of Zn1xCuxO nanopowders
%A Ghajari, Narges
%A Kompany, Ahmad
%A T. Movlarooy
%A Roozban, Fateme
%A Majidiyan, Masoud
%J Journal of Magnetism and Magnetic Materials
%@ 0304-8853
%D 2013
