Ab-initio Study of Electronic Properties of Ti-doped VO<sub>2</sub> Nanowire

POSTER

Abstract

Vanadium oxide (VO2) nanowire undergoes a phase transition at 341K and shows metal-insulator transition (MIT). We have considered high-temperature VO2-NW structure, which is stable in rutile form. The state of art density functional calculation has shown metallic in VO2 (R) rutile structure nature. Further, we have investigated the doping effect of Ti substitution for V in VO2-NW. A transition of metallic to semiconducting behaviour is observed by the presence of Ti-3d orbital and it is also confirmed by the partial density of states (PDOS) that contribution of Ti-3d orbital near the Fermi level at conduction band. We have observed band gap of 1.83eV, however band gap decreases with the increase in Ti concentration. Furthermore, Ti-doped VO2-NW shows adsorption energy at visible region, which attributes to its potential application in nano-optoelectronic devices.

*Prabal Dev Bhuyan would like to thank Science and Engineering Research Board (SERB), India for financial support (Grant
no.: YSS/2015/001269).

Presenters

  • Prabal Bhuyan

    • Department of Physics, Gujarat University, Ahmedabad, India

Authors

  • Prabal Bhuyan

    • Department of Physics, Gujarat University, Ahmedabad, India

  • Sanjeev K. Gupta

    • Department of Physics, St Xavier's College, Ahmedabad, India

  • Yogesh Sonvane

    • Department of Applied Physics, SV National Institute of Technology, Surat, India
    • Department of Applied Physics, SV National Institute of Technology, Surat,India

  • P. N. Gajjar

    • Department of Physics, Gujarat University, Ahmedabad, India