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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.49 [2011] >
IJPAP Vol.49(09) [September 2011] >
| Title: | Study of electronic and optical properties of Sc-, Y-, Ti-doped transparent conducting oxide |
| Authors: | Sharma, Yamini
Srivastava, Pankaj |
| Keywords: | Density functional theory
Transparent conducting oxides
Optical properties |
| Issue Date: | Sep-2011 |
| Publisher: | NISCAIR-CSIR, India |
| Abstract: | Transparent
conducting oxides have important applications as optoelectronic devices. First
principles calculations have been performed to study the electronic and optical
properties of Sc-, Y- and Ti-doped transparent conducting oxide (TCO) material CdO. The dielectric functions,
absorption coefficients and transmittance spectra have been computed to study
the effect of doping. The density of states have also been investigated to
interpret the calculated optical spectra in terms of inter band transitions.
The valence electron charge density is plotted to understand the redistribution
of charges on introduction of transition metal ions. The electrical conductivity
and Hall coefficient have also been calculated. The calculated band gap for
pure CdO which is 0.51 eV increases significantly with doping. The band gaps
for Sc-, Y- and Ti- doped CdO are 2.67, 2.83 and 2.53 eV, respectively, which are
in good agreement with experimental measurements. |
| Page(s): | 619-626 |
| CC License: |  CC Attribution-Noncommercial-No Derivative Works 2.5 India |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.49(09) [September 2011]
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