Magnetic properties of defect-free and oxygen-deficient cubic SrCoO${}_{3-\delta }$

Abstract

We investigated theoretically electronic and magnetic properties of the perovskite material SrCoO${}_{3-\delta }$ with $\delta \le 0.15$ using a projector-augmented plane-wave method and a Green's function method. This material is known from various experiments to be ferromagnetic with a Curie temperature of 260K to 305K and a magnetic moment of 1.5${\mu }_{\text{B}}$ to 3.0${\mu }_{\text{B}}$. Applying the magnetic force theorem as it is formulated within Green's function method, we calculated for SrCoO${}_{3-\delta }$ the magnetic exchange parameters and estimated the Curie temperature. Including correlation effects by an effective $U$ parameter within the GGA$+U$ approach and verifying this by hybrid functional calculations, we obtained the Curie temperatures in dependence of the oxygen deficiency close to the experimental values.

10 pages, 11 figures, perovskites, magnetic properties, KKR, VASP, CPA, Jij, defects, oxygen vacancies

Cited by in corpus (8)

• Role of oxygen vacancy in the spin-state change and magnetic ordering in SrCoO${}_{3-\delta }$
• Variation of magnetic properties of Sr${}_2$FeMoO${}_6$ due to oxygen vacancies
• Sudden collapse of magnetic order in oxygen deficient nickelate films
• Anomalous Hall Effect and Spin Fluctuations in Ionic Liquid Gated SrCoO${}_3$ Thin Films
• Revisiting the zero-temperature phase diagram of stoichiometric SrCoO3 with first-principles methods
• Spin-Phonon Coupling and High Pressure Phase Transitions of RMnO3 (R= Ca and Pr): An Inelastic Neutron Scattering and First Principle Studies
• First-principles investigations of the magnetic phase diagram of Gd${}_{1-x}$Ca${}_x$MnO${}_3$
• Electronic reconstruction and charge transfer in strained Sr${}_2$CoIrO${}_6$ double perovskite