Related papers: Magneto-electric coupling in type-I multiferroic S…
By means of first-principles simulations, we unambiguously show that improper ferroelectricity in magnetite in the low-temperature insulating phase is driven by charge-ordering. An accurate comparison between monoclinic ferroelectric Cc and…
The ground-state structural and electronic properties of ferroelectric BiFeO$_3$ are calculated using density functional theory within the local spin-density approximation and the LSDA+U method. The crystal structure is computed to be…
In this letter, we report the structural, electronic and ferroelectric properties of the layered mixed-valent transition-metal compound, Sr$_{4}$Fe$_{6}$O$_{12}$ (SFO). We demonstrate how SFO undergoes a phase transition from a…
The magnetoelectric behavior of BiFeO$_3$ has been explored on the basis of accurate density functional calculations. The structural, electronic, magnetic, and ferroelectric properties of BiFeO$_3$ are predicted correctly without including…
Magnetic, dielectric and calorimetric studies on 0.9BiFeO3-0.1BaTiO3 indicate strong magnetoelectric coupling. XRD studies reveal a very remarkable change in the rhombohedral distortion angle and a significant shift in the atomic positions…
Using first principles calculations, we study the microscopic origin of ferroelectricity (FE) induced by magnetic order in the orthorhombic HoMnO3. We obtain the largest ferroelectric polarization observed in the whole class of improper…
Current scenario in multiferroics demands a breakthrough discovery of promising materials after BiFeO3. Recently, the controversial discovery of room temperature ferroelectricity (FE) in SmFeO3 [PRL 107, 117201 (2011); 113, 217203 (2014)]…
Using a joint approach of density functional theory and model calculations, we demonstrate that a prototypical charge ordered half-doped manganite, La$_{1/2}$Ca$_{1/2}$MnO$_3$ is multiferroic. The combination of a peculiar charge-orbital…
We report for the first time, that Fe3Se4 is a room temperature, type-II multiferroic with magnetoelectric coupling. We observed the coexistence of coupled ferrimagnetic and ferroelectric ordering in Fe3Se4nanorods well above room…
With a combined ab initio density functional and model Hamiltonian approach we establish that in the recently discovered multiferroic phase of the manganite Sr$_{1/2}$Ba$_{1/2}$MnO$_{3}$ the polar distortion of Mn and O ions is stabilized…
The spin-driven polarizations of type-I multiferroics are veiled by the preexisting ferroelectric (FE) polarization. Using first-principles calculations combined with a spin model, we uncover two hidden but huge spin-driven polarizations in…
SmFeO3 has attracted considerable attention very recently due to the reported multiferroic properties above room-temperature. We have performed powder and single crystal neutron diffraction as well as complementary polarization dependent…
Experimental techniques using Bragg diffraction may elucidate electronic and magnetic properties of ferric ions in multiferroic ScFeO3 that are puzzling. A collinear magnetic motif of dipole moments is not expected for s-state ions with an…
BaMF4 (M=Fe, Co, Ni and Mn) family are typical multiferroic materials, having antiferromagnetism at around liquid nitrogen temperature. In this work, polycrystalline BaFeF4 has been prepared by solid state reaction. The slight deficiency of…
We present a first-principles scheme for computing the magnetoelectric response of multiferroics. We apply our method to BiFeO3 (BFO) and related compounds in which Fe is substituted by other magnetic species. We show that under certain…
The coupling between magnetic order and ferroelectricity has been under intense investigation in a wide range of transition-metal oxides. The strongest coupling is obtained in so-called magnetically-induced multiferroics where…
The question of how ferroelectric polarization is coupled to magnetism in magnetoelectric multiferroics, in which both types of order are simultaneously present, is of considerable scientific and practical interest. A recent Letter…
How the magnetoelectric coupling actually occurs on a microscopic level in multiferroic BiFeO3 is not well known. By using the high-resolution single crystal neutron diffraction techniques, we have determined the electric polarization of…
In this paper we examine the role of crystal chemistry factors in creating conditions for formation of magnetoelectric ordering in BiFeO3. It is generally accepted that the main reason of the ferroelectric distortion in BiFeO3 is concerned…
Magnetic and dielectric properties of the hexagonal triangular lattice antiferromagnet 2H-AgFeO2 have been studied by neutron diffraction, magnetic susceptibility, specific heat, pyroelectric current, and dielectric constant measurements.…