Related papers: Coupled magnetic-ferroelectric metal-insulator tra…
We construct an effective Hamiltonian for the motion of electrons among the transition metal ions of ordered double perovskites like Sr2FeMoO6. in which strong intra-atomic Coulomb repulsion U is present in only one of the inequivalent…
We use first-principles theory to predict that the application of uniaxial compressive strain leads to a transition from an antiferromagnetic insulator to a ferromagnetic half-metal phase in LaMnO$_3$. We identify the Q2 Jahn-Teller mode as…
Coupling between different interactions allows to control physical aspects in multifunctional materials by perturbing any of the degrees of freedom. Here, we aim to probe the correlation among structural, electronic and magnetic observables…
Metal-insulator transitions (MITs) in resistive switching materials can be triggered by an electric stimulus that produces significant changes in the electrical response. When these phases have distinct magnetic characteristics, dramatic…
Antiferromagnetic (AFM) semiconductor MnS$_2$ possesses both high-spin and low-spin magnetic phases that can be reversibly switched by applying pressure. With increasing pressure, the high-spin state undergoes pressure-induced metalization…
First-principles calculations reveal a large cooperative coupling of Jahn-Teller (JT) distortion to oxygen-octahedron rotations in perovskite LaMnO$_3$. The combination of the two distortions is responsible for stabilizing the strongly…
We perform density functional calculations to investigate the structure of the inter-metallic alloy FeRh under epitaxial strain. Bulk FeRh exhibits a metamagnetic transition from a low-temperature antiferromagnetic (AFM) phase to a…
Intrinsic magnetoelectric coupling describes the interaction between magnetic and electric polarization through an inherent microscopic mechanism in a single phase material. This phenomenon has the potential to control the magnetic state of…
Magnetoelectric coupling between magnetic and electric dipoles is one of the cornerstones of modern physics towards developing the most energy-efficient magnetic data storage. Conventionally, magnetoelectric coupling is achieved in…
We present a microscopic theory of carrier-induced ferrimagnetism in metallic double perovskite compounds such as ${\rm Sr}_{2}{\rm FeMoO}_{6}$ and ${\rm Sr}_{2}{\rm FeReO}_{6}$ which have recently attracted intense interest for their…
Recently an antiferromagnetic metal phase has been proposed in double perovskites materials like Sr$_{2}$FeMoO$_{6}$ (SFMO), when electron doped. This material has been found to change from half-metallic ferromagnet to antiferromagnetic…
We report the influence of Ce$^{3+}$ substitution on the magnetic structures and phonon dynamics in SmCrO$_3$ perovskites. Magnetic landscapes are spanned by long-range canted anti-ferromagnetism, AFM with Neel temperatures $\sim$196 K…
Using first principles calculations, we determined the epitaxial-strain dependence of the ground state of the 1:1 SrCrO$_3$/SrTiO$_3$ superlattice. The superlattice layering leads to significant changes in the electronic states near the…
Epitaxial strain provides important pathways to control the magnetic and electronic states in transition metal oxides. However, the large strain is usually accompanied by a strong reduction of the oxygen vacancy formation energy, which…
We performed first principles calculations for epitaxially strained orthorhombic CaTiO$_3$. The computational results reveal the existence of a metastable ferroelectric phase at compressive strain with unexpected in-plane polarization.…
We have investigated the interplay between the metal-insulator transition and ferromagnetism in $({\rm III}_{1-x},{\rm Mn}_x){\rm V}$ ferromagnetic semiconductors. Our study is based on a model in which $S=5/2$ Mn local moments are…
We use quantum Monte Carlo to determine the magnetic and transport properties of coupled square lattice spin and fermionic planes as a model for a metal-insulator interface. Specifically, layers of Ising spins with an intra-layer exchange…
We have explored the critical metal-insulator phenomena for pyrochlore-type $R_2$Ir$_2$O$_7$, in which electron correlation strength and magnetic configuration are systematically controlled by varying the average rare-earth ionic radius…
We present a phenomenological scheme to study the size-dependent electric voltage-controlled magnetic anisotropy in ferromagnetic (FM)/ferroelectric (FE) heterostructures. The FM layers are either metallic Fe(001), Ni(001), Co(0001), or…
The magnetic properties of the double perovskite oxide $Sr_{2}$FeMo$O_{6}$ are analyzed using a mixed-spin Ising model with spins $\left( \frac{1}{2},\frac{5}{2}\right) $ in the presence of a random crystal field $\Delta$ and exchange…