Related papers: Engineering strong magnetoelectricity using a hexa…
BiFeO3 is the most famous multiferroic material, but its G-type antiferromagnetism is highly desirable to be replaced by strong macroscopic magnetism beyond room temperature. Here we obtain double perovskite Bi2FeMoO6 with R3 (#146) space…
We have performed an extensive test of the ability of density functional theory within several approximations for the exchange-correlation functional, local density approximation+Hubbard $U$ and local density approximation + dynamic mean…
A new type of multiferroicity was experimentally discovered in 2003 in a perovskite manganite TbMnO$_3$ where its ferroelectricity is induced by cycloidally ordered Mn spins. Susequently, such spin-cycloid multiferroic phase was also…
Cobalt ferrite (CoFe$_2$O$_4$) is a prototypical ferrimagnetic spinel oxide whose exceptional magnetic anisotropy, magnetoelastic coupling, and thermal stability underpin applications in spintronics, magnetic hyperthermia, energy…
In this article, we perform the symmetry analysis of perovskite-based multiferroics: bismuth ferrite (BiFeO3)-like, orthochromites (RCrO3), and Ruddlesden-Popper perovskites (Ca3Mn2O7-like), being the typical representatives of…
First principles studies of multiferroic materials, such as bismuth ferrite (BFO), require methods that extend beyond standard density functional theory (DFT). The DFT+U method is one such extension that is widely used in the study of BFO.…
Recently, the perovskite BiCoO$_3$ has been shown experimentally to be isostructural with PbTiO$_3$, while simultaneously the $d^6$ Co$^{3+}$ ion has a high spin ground state with $C$-type antiferromagnetic ordering. Using hybrid density…
First-principles calculations were performed to investigate the ferroelectric properties of barium titanate and bismuth ferrite, as well as phonon dispersion of BaTiO3, using density functional theory and density functional perturbation…
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…
The development of electric vehicles has led to a growing need for more efficient and environmentally friendly batteries. As a result, there is significant interest in researching new materials and techniques to enhance battery efficiency.…
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 have studied the crystal and magnetic structures of Fe-doped hexagonal manganites LuMn1-xFexO3 (x = 0, 0.1, 0.2, and 0.3) by using bulk magnetization and neutron powder diffraction methods. The samples crystalize consistently in a…
Multiferroics is a class of functional materials that simultaneously exhibit ferroelectricity and ferromagnetism in a single structure. We report here the integration of anti-ferroelectricity and ferromagnetism in a new M-type hexaferrite…
From first-principles calculations, we investigate the structural instabilities of CaMnO$_3$. We point out that, on top of a strong antiferrodistortive instability responsible for its orthorhombic ground-state, the cubic perovskite…
Interfacing complex oxides in atomically engineered layered structures can give rise to a wealth of exceptional electronic and magnetic properties that surpass those of the individual building blocks. Herein, we demonstrate a ferromagnetic…
Two-dimensional van der Waals heterostructures are potential game changers both in understanding the fundamental physics and in the realization of various devices that exploit magnetism at the nanoscale. Multiferroic heterostructures…
The dependencies on strain and oxygen vacancies of the ferroelectric polarization and the weak ferromagnetic magnetization in the multiferroic material bismuth ferrite, BiFeO_3, are investigated using first principles density functional…
Numerous applications of hexagonal ferrites are related to their easy axis or easy plane magnetocrystalline anisotropy configurations. Certain W-type ferrites undergo spin reorientation transitions (SRT) between different anisotropy states…
We consider a model of the double perovskite Ba2FeReO6, a room temperature ferrimagnet with correlated and spin-orbit coupled Re t2g electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such 3d/5d…
Tungstates $A$WO$_4$ with the wolframite structure characterized by the $A$O$_6$ octahedral zigzag chains along the $c$-axis, can be magnetic if $A$=Mn, Fe, Co, Cu, Ni. Among them, MnWO$_4$ is a unique member with a cycloid Mn$^{2+}$ spin…