Theory of ferromagnetism in vanadium-oxide based perovskites

Abstract

The conditions under which ferromagnetism may occur in transition metal oxides with partially filled $t_{2g}$ shells such as vanadium-based perovskites are studied using a combination of density functional and single-site dynamical mean field methods. For reasonable values of the correlation strength, rotations of the VO${}_6$ octahedra play an important role in enabling ferromagnetism, with ferromagnetism typically occurring for rotations larger than a nonzero critical value. Ferromagnetism is suppressed near the Mott insulating phase but the phase boundary is otherwise only weakly dependent on carrier concentration. Design rules are suggested for new oxide systems exhibiting ferromagnetism.

13 pages, 11 figures

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• Density functional plus dynamical mean field theory of the metal-insulator transition in early transition metal oxides
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• Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study
• Spectroscopic comprehension of Mott-Hubbard insulator to negative charge transfer metal transition in LaNi_{x}V_{1-x}O_{3} thin films
• Metal-Insulator and Magnetic Phase Diagram of Ca${}_2$RuO${}_4$ from Auxiliary Field Quantum Monte Carlo and Dynamical Mean Field Theory
• Designing ferromagnetism in vanadium-oxide based superlattices
• Enhanced charge-transfer character in the monoclinic phase of Mott-insulator LaVO3 thin film
• Layer-dependent electronic structures and magnetic ground states of polar-polar $\mathrm{LaV}{\mathrm{O}}_3/KTa{\mathrm{O}}_3$ (001) heterostructures