Related papers: Coupled magnetic-ferroelectric metal-insulator tra…
We propose a design strategy - based on the coupling of spins, optical phonons, and strain - for systems in which magnetic (electric) phase control can be achieved by an applied electric (magnetic) field. Using first-principles…
We present results of combined density functional theory plus dynamical mean-field theory (DFT+DMFT) calculations, which show that the Mott insulator LaTiO3 undergoes an insulator-to-metal transition under compressive epitaxial strain of…
Perovskite structure SrMnO$_3$ is a rare example of a multiferroic material where strain-tuning and/or cation substitution could lead to coinciding magnetic and ferroelectric ordering temperatures, which would then promise strong…
Exploring new magnetic materials is essential for finding advantageous functional properties such as magnetoresistance, magnetocaloric effect, spintronic functionality, and multiferroicity. Versatile classes of double perovskite compounds…
Perovskite manganites with small A-site ions, as the first and canonical branch of type-II multiferroics, are ideal systems to exhibit magnetism-induced ferroelectricity. Despite their established magnetoelectric phase diagrams under low…
We report an isothermal electric field-induced first-order phase transition from Mott-insulator to the metallic state in the epitaxial thin film of V$_2$O$_3$ in the temperature regime below its Mott transition temperature $\approx$ 180 K.…
Antiferromagnetic (AFM) spintronics, where magneto-transport is governed by an antiferromagnet instead of a ferromagnet, opens fascinating new perspectives for both fundamental research and device technology, owing to their intrinsic…
Multiferroics where at least two primary ferroic orders are present and coupled in a single system constitute an important class of materials. They attracted special consideration as they present both intriguing fundamental physics problems…
We investigate the metal-insulator transition in the layered Ruddelsden Popper series of strontium iridates Srn+1IrnO3n+1. Tight-binding models of t2g orbitals for n = 1, 2, and infinity are constructed, and changes in band dispersion due…
Compressed Pr0.5Ca0.5MnO3 films (250nm) deposited on LaAlO3 have been studied by Electron Spin Resonance technique under high frequency and high magnetic field. We show evidences for the presence of a ferromagnetic phase (FM) embedded in…
We investigated the metal-insulator transition for epitaxial thin films of the perovskite CaFeO3, a material with a significant oxygen ligand hole contribution to its electronic structure. We find that biaxial tensile and compressive strain…
Using first-principles density functional theory we predict a ferroelectric ground state -- driven by off-centering of the magnetic Mn$^{4+}$ ion -- in perovskite-structure BaMnO$_3$. Our finding is surprising, since the competition between…
Pressure induced phase transitions of MIAgIIF3 perovskites where M = K, Rb, Cs, have been predicted theoretically for the first time for pressures up to 100 GPa. The sequence of phase transitions for M = K and Rb consists of an orthorhombic…
We theoretically studied the electronic structure, magnetic properties, and lattice dynamics of a series of $3d$ transition-metal antiperovskite compounds AXM$_{3}$ by density function theory. Based on the Stoner criterion, we drew the…
We study the influence of external pressure on the electronic and magnetic structure of EuMnO3 from first-principles calculations. We find a pressure-induced insulator-metal transition at which the magnetic order changes from A-type…
The family of hole-doped Pr-based perovskite cobaltites, Pr$_{0.5}$Ca$_{0.5}$CoO$_{3}$ and (Pr$_{1-y}$RE$_{y}$)$_{0.3}$Ca$_{0.7}$CoO$_{3}$ (where RE is rare earth) has recently been found to exhibit simultaneous metal-insulator, spin-state,…
Two-dimensional (2D) transition-metal oxide perovskites greatly expand the field of available 2D multifunctional material systems. Here, based on density functional theory calculations, we predicted the presence of ferromagnetism orders…
We study the effects of an orbital magnetic field on the Mott metal-insulator transition in the Hubbard-Hofstadter model. We demonstrate that sufficiently large magnetic fields induce a Mott insulator-to-metal phase transition supporting…
Transition metal oxides, in particular, 3d or 4d perovskites have provided diverse emergent physics that originates from the coupling of various degrees of freedom such as spin, lattice, charge, orbital, and also disorder. 5d perovskites…
Antiferromagnets (AFMs) with zero net magnetization are proposed as active elements in future spintronic devices. Depending on the critical thickness of the AFM thin films and the measurement temperature, bimetallic Mn-based alloys and…