相关论文: First-principles study of the lattice and electron…
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…
The commensurate and incommensurate magnetic structures of the magnetoelectric system YMn$_{2}$O$_{5}$, as determined from neutron diffraction, were found to be spin-density waves lacking a global center of symmetry. We propose a model,…
In multiferroic TbMn$_2$O$_5$, the behavior of the terbium ions forms a crucial part of the magneto-electric coupling. The result is a magnetically induced reversal of the electric polarization at 2 T. In this article we present the first…
Magnetic and ferroelectric properties of layered geometrically frustrated cluster compound FeTe$_2$O$_5$Br were investigated with single-crystal neutron diffraction and dielectric measurements. Incommensurate amplitude modulated magnetic…
Three independent contributions to the magnetically induced spontaneous polarization of multiferroic TbMn2O5 are uniquely separated by optical second harmonic generation and an analysis in terms of Landau theory. Two of them are related to…
We have carried out a first-principles theoretical study of the magnetically induced polarization in orthorhombic TbMnO3, a prototypical material in which a cycloidal spin structure generates an electric polarization via the spin-orbit…
We report the observation of a magnetic polarization of the O\,$2p$-states in YMn$_2$O$_5$ through the use of soft X-ray resonant scattering at the oxygen $K$-edge. Remarkably, we find that the temperature dependence of the integrated…
We report a neutron diffraction study of the multiferroic mechanism in (ND4)2FeCl5D2O, a molecular compound that exhibits magnetically induced ferroelectricity. This material exhibits two successive magnetic transitions on cooling: a…
Using first principle calculations under the framework of density functional theory we have investigated the electronic structure, magnetism and ferroelectric polarization in the triangular lattice antiferromagnet AgFeO2, and its comparison…
There has been tremendous research activity in the field of magneto-electric (ME) multiferroics after Kimura et al. [1] showed that antiferromagnetic and ferroelectric order coexist in orthorhom- bically distorted perovskite TbMnO3 and are…
By combining neutron four-circle diffraction and polarized neutron diffraction techniques we have determined the complex spin structures of a multiferroic, YMn2O5, that exhibits two ferroelectric phases at low temperatures. The obtained…
Type-II multiferroics, in which the magnetic order breaks inversion symmetry, are appealing for both fundamental and applied research due their intrinsic coupling between magnetic and electrical orders. Using first-principles calculations…
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…
Comparative studies of magnetoelectric susceptibility ($\alpha$), magnetization ($M$), and magnetostriction ($u$) in TbMn$_{2}$O$_{5}$ reveal that the increment of $M$ owing to the field-induced Tb$^{3+}$ spin alignment coins a…
We present a theoretical study of the structure-property correlation in gallium ferrite, based on the first principles calculations followed by a subsequent comparison with the experiments. Local spin density approximation (LSDA+U) of the…
We uncover a new pathway towards multiferroicity, showing how magnetism can drive ferroelectricity without relying on inversion symmetry breaking of the magnetic ordering. Our free-energy analysis demonstrates that any commensurate…
The electric polarization and its magnetic origins in multiferroic RMn2O5, where R is rare-earth ion, are still issues under debate. In this work, the temperature-dependent electric polarization of DyMn2O5, the most attractive member of…
We report the discovery of linear magnetoelectric effect in the well-known green phase compound, Sm2BaCuO5, which crystallizes in the centrosymmetric orthorhombic (Pnma) structure. Magnetization and specific heat measurements reveal the…
First-principles electronic structure calculations have been performed for the double perovskite Bi$_2$CoMnO$_6$ in its non-centrosymmetric polar state using generalized gradient approximation plus Hubbard U approach. We find that while Co…
In this paper, we investigate the physical properties of the type II multiferroic GdMn$_2$O$_5$ material by means of neutrons scattering, electric polarization and magnetization measurements. A complex $(T,H)$ phase diagram shows up, with…