Eur. Phys. J. Plus (2022) 137: 121
https://doi.org/10.1140/epjp/s13360-022-02352-z

Regular Article

Physical characteristics of vanadium-doped SrTiO₃ compound

¹ Spin-Optoelectronics and Ferro-Thermoelectric (SOFT) Materials and Devices Laboratory, Department of Physics University of Agriculture, Faisalabad, 38040, Faisalabad, Pakistan
² Department of Physics, College of Sciences, Princess Nourah bint Abdulrahman University, P. O. Box 84428, 11671, Riyadh, Saudi Arabia
³ Department of Chemistry, University of Agriculture Faisalabad, 38040, Faisalabad, Pakistan
⁴ School of Physics, MOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, State Key Laboratory for Mechanical Behaviour of Materials, Xi’an Jiaotong University, 710049, Xi’an, China
⁵ Department of Physics and Astronomy, College of Science, King Saud University, 11451, Riyadh, Saudi Arabia

^c myaseen_taha@yahoo.com, m.yaseen@uaf.edu.pk

Received: 1 May 2021
Accepted: 5 January 2022
Published online: 16 January 2022

Abstract

The structural, electronic, optical and magnetic characteristics of cubic perovskite Sr_1−xV_xTiO₃ at x = 0% 12.5%, 25%, 50% and 75% are explored by density functional theory based on full-potential linearized augmented plane-wave scheme. The stability of ferromagnetic phase is confirmed by the formation energy. The computed spin-resolved electronic band structure and density of states verify the semiconductor behavior of pristine STO while half-metallic ferromagnetic behavior of Sr_1−xV_xTiO₃ at $x=$ 12.5%, 25%, 50% and 75%. The magnetic moments of V-doped SrTiO₃ at different concentrations are determined, which mainly come from the vanadium atom. Moreover, the optical factors such as reflectivity R(ω), absorption α(ω) and optical coefficients σ(ω), refractive index n(ω) and dielectric function are computed. The obtained results suggest the application of V-doped STO for optical and spintronic gadgets.