相关论文: Electronic Structure and Phase Transition in Ferro…
We report the experimental determination of the structure and response to applied electric field of the lower-temperature nematic phase of the previously reported calamitic compound 4-[(4-nitrophenoxy)carbonyl]phenyl2,4-dimethoxybenzoate…
The electronic structure of SrBi2Ta2O9 is investigated from first-principles, within the local density approximation, using the full-potential linearized augmented plane wave (LAPW) method. The results show that, besides the large…
We report ferrielectricity in a single-phase crystal, TSCC -- tris-sarcosine calcium chloride [(CH3NHCH2COOH)3CaCl2]. Ferrielectricity is well known in smectic liquid crystals but almost unknown in true crystalline solids. Pulvari reported…
The integration of ferroelectric and topological materials offers a promising avenue for advancing the development of quantum material devices. In this work, we explore the strong coupling between topological states and ferroelectricity in…
The spontaneous ferroelectric polarization of low-temperature monoclinic Fe3O4 was investigated by first-principles calculations.
It is demonstrated based on continuum mechanics modeling and simulation that it is possible to obtain polycrystalline ceramic ferroelectric materials which beggars single crystals in electromechanical properties. The local inhomogeneities…
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…
Basing on the temperature dependences of optical birefringence for Sn2P2S6 and Sn2P2(Se0.28S0.72)6 crystals subjected to hydrostatic pressures, we prove unambiguously that Sn2P2S6 reveals a tricritical point on its (p,T)-phase diagram with…
Hybrid improper ferroelectricity, where an electrical polarization can be induced via a trilinear coupling to two non-polar structural distortions of different symmetry, has recently been experimentally demonstrated for the first time in…
We present a theoretical model which describes the polarization modulated and layer undulated structure of the B7 phase and gives the phase transition from the synclinic ferroelectric B2 phase to the B7 phase as observed experimentally. The…
The electric polarization induced by local polar domains of two types (phase separation domains of magnetic nature and structure-distorted domains) has been observed in YCrO3 single crystals. These domains form a superparaelectric state.…
The ferroelectric polarization of perovskite oxides is much larger than implied by displacement of static ionic charges. We use an explicitly correlated scheme to investigate the phenomenon; charge transport is evaluated as a geometric…
We have investigated the structural, magnetic and dielectric properties of Pb-based langasite compound Pb$_3$TeMn$_3$P$_2$O$_{14}$ both experimentally and theoretically in the light of metal-oxygen covalency, and the consequent generation…
The combination of large spontaneous polarization and fluidity makes the newly discovered ferroelectric nematic liquid crystalline phase (NF) responsive to electric fields in ways that have no counterpart in other materials. We probe this…
The proton ordering model for the KH$_{2}$PO$_{4}$ type ferroelectrics is modified by taking into account the dependence of the effective dipole moments on the proton ordering parameter. Within the four-particle cluster approximation we…
In order to better understand the reconstructive ferroelectric-paraelectric transition of Bi2WO6, which is unusual within the Aurivillius family of compounds, we performed first principles calculations of the dielectric and dynamical…
Metal-organic frameworks comprehend a wide class of hybrid organic-inorganic materials with general structure A$_m$BX$_n$, with $A$ and $X$ being organic molecules and B a metal cation. This often results in enhanced structural flexibility…
Experiments reveal that PbK2LiNb5O15 which belongs to the tetragonal tungsten bronze family presents paraelectric and ferroelectric phases and a complex structural change between them. High and low temperature phases are of symmetry P4/mbm…
Semiconducting ferroelectric materials with low energy polarisation switching offer a platform for next-generation electronics such as ferroelectric field-effect transistors. Ferroelectric domains at symmetry-broken interfaces of transition…
Two-dimensional (2D) ferroelectricity has attracted extensive attention since its discovery in the monolayers of van der Waals materials. Here we show that 2D ferroelectricity induced by octahedral rotation distortion is widely present in…