Related papers: Interplay between ferroelectricity and metallicity…
In this work, a systematic ab initio study of the influence of doping on electronic structure and local magnetic moments of ferromagnetic MnAs has been carried out. The majority of the considered substitution elements, potentially suitable…
The theory of doped excitonic insulators is reinvestigated in light of recent experiments on hexaborides. For the appropriate valley-degenerate X_3,X_3' band structure, ``intra-valley'' condensation is energetically favored. Ferromagnetism…
We explore the impact of a magnetic field on the ferroelectric domain pattern in polycrystalline hexagonal ErMnO3 at cryogenic temperatures. Utilizing piezoelectric force microscopy measurements at 1.65 K, we observe modifications of the…
Using first-principles density functional theory calculations, we investigate the geometries, electronic structures, and thermodynamic stabilities of substitutionally doped phosphorene sheets with group III, IV, V, and VI elements. We find…
Versatile features of impurity doping effects on perovskite manganites, $R_{0.6}$Sr$_{0.4}$MnO$_{3}$, have been investigated with varying the doing species as well as the $R$-dependent one-electron bandwidth. In ferromagnetic-metallic…
Using first-principles density functional theory calculations, we investigated the effect of charge doping in a LaNiO$_3$/SrTiO$_3$ superlattice. The detailed analysis based on two different simulation methods for doping clearly shows that…
Ferroelectricity is observed in orthorhombic $HoMnO_3$ and $YMnO_3$ at the magnetic lock-in transitions into an E-type structure or an incommensurate phase with a temperature independent wave vector, respectively. In $HoMnO_3$ the…
We discuss relative roles played by the magnetic inversion symmetry breaking and the ferroelectric (FE) atomic displacements in the multiferroic state of YMnO3. For these purposes we derive a realistic low-energy model, using results of…
The existence of ferroelectricity in {$\mathrm{BiMnO}_3$} has been a long-standing question for both experimentalists and theorists. In addition to a highly distorted bulk structure, the ionic crystal planes cause a large roughness in thin…
We investigate the effect of polar Sr-O vacancy pairs on the electric polarization of SrMnO$_3$ (SMO) thin films using density functional theory (DFT) calculations. This is motivated by indications that ferroelectricity in complex oxides…
Improper ferroelectricity (trimerization) in the hexagonal manganites RMnO$_3$ leads to a network of coupled structural and magnetic vortices that induce domain wall magnetoelectricity and magnetization neither of which, however, occurs in…
This work investigates the magnetically driven ferroelectricity in orthorhombic manganites RMnO3 (R=Gd, Dy or Tb) from the point of view of the symmetry. The method adopted generalizes the one used to characterize the polar properties of…
Structural, magnetic and multiferroic properties of single crystals of Dy$_{1-x}$Ho$_x$MnO$_3$ ($x = 0, 0.2$) were investigated by the different methods of polarized and classical neutron diffraction and macroscopic methods in order to…
Structural degeneracies underpin the ferroic behavior of next-generation two-dimensional materials, and lead to peculiar two-dimensional structural transformations under external fields, charge doping and/or temperature. The most direct…
Since conduction electrons of a metal screen effectively the local electric dipole moments, it was widely believed that the ferroelectric-like distortion cannot occur in metals. Recently, metallic LiOsO3, was discovered to be the first…
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…
Strong coupling among spontaneous structural symmetric breaking, magnetism and metallicity in an intrinsic polar magnetic metal can give rise to novel physical phenomena and holds great promise for applications in spintronics. Here, we…
Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of…
Experimentally, the intermetallic compound Mn$_{4}$FeGe$_{3}$ has been recently shown to exhibit enhanced magnetic properties and spin polarization compared to the Mn$_{5}$Ge$_{3}$ parent compound. The present {\em ab-initio} study focusses…
The realization of multiferroicity in 2D nanomaterials is crucially important for designing advanced nanoelectronic devices such as non-volatile multistate data storage. In this work, the coexistence of ferromagnetism and ferroelectricity…