The role of the dopants and oxygen vacancies in the magnetic response of Fe-doped and (Fe, Sn) co-doped SrTiO3 perovskite oxide

A. M MUDARRA NAVARRO; C. E. RODRÍGUEZ TORRES; K. NOMURA; M. TAKAHASHI; L. ERRICO

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Springer Nature

Año: 2024 vol. 245 p. 21 - 21

In this work we present a combined theoretical and experimental study of the structural, magnetic, and hyperfne properties of Fe doped and (Fe, Sn) co-doped SrTiO3 perovskite (STO). 57Fe-Mössbauer spectroscopy (57Fe-MS) was employed to determine the hyperfne interactions at the Fe sites of doped STO for diferent Fe and Sn concentrations. The theoretical study was performed in the framework of the Density Functional Theory (DFT) using the full-potential linearized augmented plane wave (FP-LAPW) method. The efect of the oxygen vacancies on the magnetic and hyperfne properties and on the magnetic alignment of Fe and Sn impurities was studied. The combination of the DFT calculations, considering diferent structural models for doped-STO, and 57Fe-MS enable us to obtain a structural characterization of Fe-doped and (Fe, Sn) co-doped STO and to explain the origin of the observed hyperfne interactions and the magnetic signal.