Related papers: Magnetically induced electronic ferroelectricity i…
Motivated by recent experimental suggestions of charge-order-driven ferroelectricity in organic charge-transfer salts, such as $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Cl, we investigate magnetic and charge-ordered phases that emerge in an…
Materials with coexisting and coupled ferroelectric and magnetic orders are rare. Here we show, using density functional theory calculations, that inducing Fe$_\mathrm{La}$ antisites into non-ferroelectric and antiferromagnetic LaFeO$_3$…
Ab initio calculations of the electric polarization of correlation-driven insulating materials, namely Mott insulators, have not been possible so far. Using a combination of density functional theory and dynamical-mean-field theory we study…
We present a first principles study of the series of multiferroic barium fluorides with the composition BaMF4, where M is Mn, Fe, Co, or Ni. We discuss trends in the structural, electronic, and magnetic properties, and we show that the…
Multiferroic materials have attracted great interests but are rare in nature. In many transitional metal oxides, charge ordering and magnetic ordering coexist, so that a method of engineering charge-ordered materials into ferroelectric…
Starting from a spin-orbital model for doped manganites, we investigate a competition between ferromagnetic and antiferromagnetic order in a one-dimensional model at finite temperature. The magnetic and orbital order at half filling support…
We report multiferroic behavior in double perovskite Y2CoMnO6 with ferroelectric transition temperature Tc = 80K. The origin of ferroelectricity is associated with magnetic ordering of Co2+ and Mn4+ moments in a up-up-down-down arrangement.…
Ferroelectricity has been found to occur in several insulating systems, such as TbMnO$_3$ (TMO) and Ni$_3$V$_2$O$_8$ (NVO) which have more than one phase with incommensurately modulated long-range magnetic order. Here we give a…
Despite remarkable progress in developing multifunctional materials, spin-driven ferroelectrics featuring both spontaneous magnetization and electric polarization are still rare. Among such ferromagnetic ferroelectrics are conical spin…
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…
Ferroelectric and ferromagnetic materials possess spontaneous electric and magnetic order, respectively, which can be switched by the corresponding applied electric and magnetic fields. Multiferroics combine these properties in a single…
The controversy regarding the ferroelectric behavior of hexagonal InMnO$_3$ is resolved by using a combination of x-ray diffraction (XRD), piezoresponse force microscopy (PFM), second harmonic generation (SHG), and density functional theory…
An oxide heterostructure made of manganite bilayers and ferroelectric perovskites is predicted to lead to the full control of magnetism when switching the ferroelectric polarizations. By using asymmetric polar interfaces in the…
Controlling the ferroelectricity and magnetism in multiferroic materials has been an important research topic. We report the formation of a highly polarized state in multiferroic DyMnO3 single crystals which develops well above the magnetic…
The two-orbital model for manganites with both non-cooperative and cooperative Jahn-Teller phonons is studied at hole density x=0.5 using Monte Carlo techniques. The phase diagram is obtained varying the electron-phonon coupling and the…
Polycrystalline YMn1-xFexO3 (YMFO_x) (0 <= x <= 0.1) compounds have been prepared in single phase and characterized by synchrotron X-ray diffraction, X-ray absorption near edge spectroscopy, magnetization, and dielectric measurements.…
Multiferroic materials, in which electric polarization and magnetic order coexist and couple, offer rich opportunities for both fundamental discovery and technology. However, multiferroicity remains rare due to conflicting electronic…
The structural, electronic and lattice dielectric properties of multiferroic TbMn$_2$O$_5$ are investigated using density functional theory within the generalized gradient approximation (GGA). We use collinear spin approximations and ignore…
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…
Recent experiments demonstrated robust ferroelectricity in Mg-doped ZnO (ZMO) of the wurtzite structure, hinting at a promising strategy to substantially expand the list of ferroelectrics by doping conventional piezoelectrics. We…