Oxygen-vacancy tuning of magnetism in SrTi0.75Fe0.125Co0.125 O3-δ perovskite
Journal
Physical Review Materials
Date Issued
2019-01-10
Author(s)
Opazo, M. A.
Ong, S. P.
Vargas, P.
Ross, C. A.
Florez, J. M.
DOI
10.1103/PhysRevMaterials.3.014404
Abstract
We use density functional theory to calculate the structure, band-gap, and magnetic properties of oxygendeficient SrTi1−x−yFexCoyO3−δ with x = y = 0.125 and δ = {0, 0.125, 0.25}. The valence and the high or low
spin states of the Co and Fe ions, as well as the lattice distortion and the band gap, depend on the oxygen
deficiency, on the locations of the vacancies, and on the direction of the Fe-Co axis. A charge redistribution
that resembles a self-regulatory response lies behind the valence spin-state changes. Ferromagnetism dominates,
and both the magnetization and the band gap are greatest at δ = 0.125. This qualitatively mimics the previously
reported magnetization measured for SrTiFeO3−δ , which was maximum at an intermediate deposition pressure
of oxygen
spin states of the Co and Fe ions, as well as the lattice distortion and the band gap, depend on the oxygen
deficiency, on the locations of the vacancies, and on the direction of the Fe-Co axis. A charge redistribution
that resembles a self-regulatory response lies behind the valence spin-state changes. Ferromagnetism dominates,
and both the magnetization and the band gap are greatest at δ = 0.125. This qualitatively mimics the previously
reported magnetization measured for SrTiFeO3−δ , which was maximum at an intermediate deposition pressure
of oxygen
Subjects
Política de Privacidad 
