Related papers: A three-order-parameter bistable magnetoelectric m…
Multiferroic materials, in which ferroelectric and magnetic ordering coexist, are of fundamental interest for the development of novel memory devices that allow for electrical writing and non-destructive magnetic readout operation. The…
Using density functional calculations we explore the properties of as-yet-unsynthesized $3d - 5d$ ordered double perovskites ($A_2BB'$O$_6$) with highly polarizable Bi$^{3+}$ ions on the $A$ site. We find that the Bi$_2$NiReO$_6$ and…
The possibility that metals may support ferroelectricity is an open issue. Anderson and Blount showed that certain martensitic transitions involve inversion symmetry breaking and the formal existence of a polar axis, so 'metallic…
ABO3 perovskite multiferroic La0.5Bi0.5Mn0.5Fe0.5O3.09 where the B-site cations is responsible for the magnetic properties and the A-site cation with lone pair electron is responsible for the ferroelectric properties was synthesized at…
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…
Ferroic transition metal oxides, which exhibit spontaneous elastic, electrical, magnetic or toroidal order, exhibit functional properties that find use in ultrastable solid-state memories to sensors and medical imaging technologies. To…
The generic magnetic phase diagram of multiferroic RMn$_2$O$_5$ (with R=Y, Ho, Tb, Er, Tm), which allows different sequences of ordered magnetic structures for different R's and different control parameters, is described using order…
We study the structural, ferroelectric, and magnetic properties of the potentially multiferroic Aurivillius phase material Bi$_5$FeTi$_3$O$_{15}$ using first principles electronic structure calculations. Calculations are performed both with…
The ground state structural, electronic and magnetic properties of multiferroic TbMn$_2$O$_5$ are investigated via first-principles calculations. We show that the ferroelectricity in TbMn$_2$O$_5$ is driven by the non-centrosymmetric…
Multiferroics are a unique class of materials where magnetic and ferroelectric orders coexist. The research on multiferroics contributes significantly to the fundamental understanding of the strong correlations between different material…
Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_{2}$FeCrO$_{6}$ have been reported. Initially, the ground state of the parent single…
We report NdCrTiO5 to be an unusual multiferroic material with large magnetic field dependent electric polarization. While magneto-electric coupling in this two magnetic sub-lattice oxide is well established, the purpose of this study is to…
We put forward double perovskites of the R$_2$NiMnO$_6$ family (with $R$ a rare-earth atom) as a new class of multiferroics on the basis of {\it ab initio} density functional calculations. We show that changing $R$ from La to Y drives the…
The double-perovskite A$_2$BB'O$_6$ with heavy transition metal ions on the ordered B' sites is an important family of compounds to study the interplay between electron correlation and spin-orbit coupling (SOC). Here we prepared…
Magnetic and/or dielectric behaviors have been studied for YBaCuFeO5, LuBaCuFeO5 and TmBaCuFeO5, which are known as members of oxygen-defect ordered perovskite systems RBaCuFeO5 (R=lanthanides Ln and other trivalent elements) and have two…
We describe the design of a new magnetic ferroelectric with large spontaneous magnetization and polarization using first-principles density functional theory. The usual difficulties associated with the production of robustly-insulating…
The layered perovskite YBaCuFeO5 (YBCFO) is able to adopt chiral magnetic order up to unexpectedly high temperatures, paving the way to strong magnetoelectric coupling at room temperature. In this perovskite A-site cations are fully ordered…
We present a new member of the multiferroic oxides, Lu$_2$MnCoO$_6$, which we have investigated using X-ray diffraction, neutron diffraction, specific heat, magnetization, electric polarization, and dielectric constant measurements. This…
The electron spin polarization on half-metallic double-perovskites is usually conditioned to the ordered rock-salt arrangement of the transition-metal ions along the lattice. In this work, we investigate a polycrystalline sample of the…
The structural, electronic, magnetic and ferroelectric properties of Pb free double perovskite multiferroic Bi2FeTiO6 are investigated using density functional theory within the general gradient approximation (GGA) method. Our structural…