Related papers: Spontaneous Ferroelectricity in Strained Low-Tempe…
Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable…
The phenomenon of the spontaneous electric polarization (ferro- and antiferroelectricity) is one of the fundamental problems of the solid-state physics. Although, there has been lot of experimental and theoretical progress, still needs to…
The direction of ferroelectric polarization is prescribed by the symmetry of the crystal structure. Therefore, rotation of the polarization direction is largely limited, despite the opportunity it offers in understanding important…
The thermodynamic, magnetic, dielectric, and magnetoelectric properties of HoFe$_3$(BO$_3$)$_4$ and Ho$_{0.5}$Nd$_{0.5}$Fe$_3$(BO$_3$)$_4$ are investigated. Both compounds show a second order Ne\'{e}l transition above 30 K and a first order…
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 temperature-dependent polarization of SrTiO_3 thin films is investigated using confocal scanning optical microscopy. A homogeneous out-of-plane and inhomogeneous in-plane ferroelectric phase are identified from images of the linear…
We have investigated the spontaneous polarization in Fe$_3$O$_4$ thin films by using dynamic and static pyroelectric measurements. The magnetic and dielectric behavior of Fe$_3$O$_4$ thin films grown on Nb:SrTiO$_3$(001) substrates was…
Ferroelectricity usually fades away when materials are thinned down below a critical value. Employing the first-principles density functional theory and modern theory of polarization, we show that the unique ionic-potential anharmonicity…
We investigate the ferrimagnetism and ferroelectricity of bulk NiFe$_2$O$_4$ with tetragonal $P4_122$ ~symmetry by means of density functional calculations using generalized gradient approximation + Hubbard $U$ approach. Special attention…
A previously unreported ferroelectric phase has been revealed on a highly homogeneous sample of Pb(Zr0.52Ti0.48)O3 by high-resolution synchrotron x-ray powder diffraction measurements. At ambient temperature the sample has tetragonal…
A wide variety of applications has inspired great interest in designing new materials and investigating fundamental physics in the ferroelectric field. In the concept of ferroelectricity, the spontaneous polarization is traditionally…
To clarify the controversy concerning the ferroelectricity of the lower temperature magnetic phases of Eu0.8Y0.2MnO3, hence its multiferroic character, we have studied in detail the temperature dependence of the electric polarization. The…
Ferroelectrics are essential in low-dimensional memory devices for multi-bit storage and high-density integration. A polar structure is a necessary premise for ferroelectricity, mainly existing in compounds. However, it is usually rare in…
The ground-state structure of monolayers and nanoplatelets of SnS with a thickness from two to five monolayers is calculated from first principles. It is shown that nanoobjects with only odd number of monolayers are ferroelectric. The…
Ferroelectric materials can switch their polarization in response to an applied electric field. In this work, ferroelectricity at the single molecule level is proposed and investigated using density functional theory (DFT) calculations.…
We report observation of magneto-electric and magneto-dielectric couplings in ceramic Co3TeO6. Temperature dependent DC magnetization and dielectric constant measurements together indicate coupling between magnetic order and electronic…
For Sn$_2$P$_2$S$_6$ ferroelectrics, the appearance of spontaneous polarization is related to stereoactivity of tin cations and valence fluctuations of phosphorous cations. Here, the continuous phase transition and its behavior under…
Low dimensional ferroelectrics are highly desired for applications and full of exotic physics. Here a functionalized MXene Hf$_2$CF$_2$ monolayer is theoretically studied, which manifests a nonpolar to polar transition upon moderate biaxial…
We have discovered strong magnetoelectric (ME) effects in the single chiral-helical magnetic state of single-crystalline langasite Ba3NbFe3Si2O14 that is crystallographically chiral. The ferroelectric polarization, predominantly aligned…
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…