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Effect of doping concentration on electronic, magnetic and optical properties of (Fe, Mn) co-doped SrTiO3: A first-principles study

YUEQIN WANG1,2, YIN LIU1,* , QIAN ZHAI1, MINGXU ZHANG1

Affiliation

  1. School of Material Science and Engineering, Anhui University of Science and Technology, Huainan 232001 ,China
  2. School of Mechanics and optoelectronic Physics, Anhui University of Science and Technology, Huainan 232001, China

Abstract

The electronic structure, magnetic and optical properties of (Fe, Mn) co doped SrTiO 3 with varyi ng doping concentrations are investigated using first principles calculation . The results show that there exhibits a n antiferromagnetic ( to ferromagnetic ( phase transition with increasing doping concentration. The SrTi 1 2 x Fe x Mn x O 3 shows a magnetic half metallic character with the doping concentration x = 0.25, which is ascribed to the excitation of the O 2p states into the conduction band. T he optical absorption spectra of codoped STO show obvious red shift after doping, indicating that it could be taken as a potential candidate for optoelectronic materials..

Keywords

SrTiO 3 D oping concentration, M agnetic , O p toelectronic.

Citation

YUEQIN WANG, YIN LIU, QIAN ZHAI, MINGXU ZHANG, Effect of doping concentration on electronic, magnetic and optical properties of (Fe, Mn) co-doped SrTiO3: A first-principles study, Optoelectronics and Advanced Materials - Rapid Communications, 12, 9-10, September-October 2018, pp.579-583 (2018).

Submitted at: Sept. 19, 2017

Accepted at: Oct. 10, 2018