"

Cookies ussage consent

Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.

I agree, do not show this message again.

Optoelectrical properties of TiC nanowires from density functional theory

M. JAFARI1,* , S. GHANAD1

Affiliation

  1. Department of Physics, K. N. Toosi University of Technology, Tehran, Iran

Abstract

In this paper, diameter of TiC nanowire was increased in two directions and electronic properties of the new structure were investigated. Theoretical calculations were done using density functional theory (DFT) and Wien2k code. The results showed that reflectivity for nanowire by diameter effect (NDE) was more than the nanowire without diameter effect (NWDE). It was also observed that the intensity of spectrum for this parameter decreased with increasing diameter of supercell. Moreover, it was observed that maximum conductivity coefficient for NDE of TiC was about 1.48, while it was about 1.6 for NWDE of TiC. Furthermore, the energy gap was reduced; however, it was still a semiconductor..

Keywords

Titanium carbide, Nanowires, Diameter effect, Optoelectrical properties, DFT.

Submitted at: Oct. 16, 2014
Accepted at: March 19, 2015

Citation

M. JAFARI, S. GHANAD, Optoelectrical properties of TiC nanowires from density functional theory, Journal of Optoelectronics and Advanced Materials Vol. 17, Iss. 3-4, pp. 318-322 (2015)