相关论文: Pathways Towards Ferroelectricity in Hafnia

Ferroelectric fluorite dioxides like hafnium (HfO2)-based materials are considered to be one of the most potential candidates for nowadays large-scale integrated-circuits (ICs). While zirconia (ZrO2)-based fluorites materials, which has the…

Emergent functionalities of structural and topological defects in ferroelectric materials underpin an extremely broad spectrum of applications ranging from domain wall electronics to high dielectric and electromechanical responses. Many of…

The macroscopic dielectric permittivity of dielectric crystals is related to the microscopic atomic polarizability of constituent atoms by the known Clausius-Mossotti relation obtained in the middle of 19th century. We derive a similar…

An atomistic effective Hamiltonian technique is used to investigate the finite-temperature energy storage properties of a ferroelectric nanocomposite consisting of an array of BaTiO$_{3}$ nanowires embedded in a SrTiO$_{3}$ matrix, for…

Antiferroelectrics have potential applications in energy conversion and storage, but are scarce, particularly among oxides that otherwise display rich ferroic behaviours. Are we overlooking potential antiferroelectrics, simply because we…

We address the possible occurrence of ultracold atom ferromagnetism by evaluating the free energy of a spin polarized Fermi gas to second order in its interaction parameter. We find that Hartree-Fock theory underestimates the tendency…

We study superconductivity in paramagnetic and ferromagnetically-ordered phases in a two-dimensional electron system with parabolic fermionic dispersion and short-range repulsive interaction. In the paramagnetic phase, we find that a weak…

Many materials exhibit nanoscale phase separation, when inside the host thermodynamic phase there arise nanosize embryos of another thermodynamic phase. A prominent example of this phenomenon is provided by ferroelectric materials. The…

Current scenario in multiferroics demands a breakthrough discovery of promising materials after BiFeO3. Recently, the controversial discovery of room temperature ferroelectricity (FE) in SmFeO3 [PRL 107, 117201 (2011); 113, 217203 (2014)]…

Thin films of HfO2 doped with 4% La were fabricated on LSMO/STO (100) substrates using pulsed laser deposition. The stability of the ferroelectric orthorhombic phase in the hafnia films was investigated with respect to varying oxygen…

We present a first-principles study of model domain walls (DWs) in prototypic ferroelectric PbTiO3. At high temperature the DW structure is somewhat trivial, with atoms occupying high- symmetry positions. However, upon cooling the DW…

Ferroelectricity (Valasek, J. Phys. Rev. 1921, 17, 475) - a spontaneous formation of electric polarisation - is a solid state phenomenon, usually, associated with ionic compounds or complex materials. Here we show that, atypically for…

In organic proton-transfer ferroelectrics (OPTFe), molecules are linked together in a hydrogen-bonded network and proton transfer (PT) between molecules is the dominant mechanism of ferroelectric switching. Their fast switching frequencies…

Perovskite manganites with small A-site ions, as the first and canonical branch of type-II multiferroics, are ideal systems to exhibit magnetism-induced ferroelectricity. Despite their established magnetoelectric phase diagrams under low…

Most ferroelectric crystals have their own set of unique characteristics and ammonium sulfate (NH$_4$)$_2$SO$_4$ is no exception. We report on two previously unidentified features in ammonium sulfate: 1) that there are at least two…

The spontaneous ferroelectric polarization of low-temperature monoclinic Fe3O4 was investigated by first-principles calculations.

Despite the increasing importance of hafnium in numerous technological applications, experimental and computational data on its binary alloys is sparse. In particular, data is scant on those binary systems believed to be phase separating.…

An effective Hamiltonian for the ferroelectric transition in $PbTiO_3$ is constructed from first-principles density-functional-theory total-energy and linear-response calculations through the use of a localized, symmetrized basis set of…

Fluid molecular ferroelectrics are a new class of organic materials where ferroelectricity is found in conjunction with 3D fluidity whilst still retaining spontaneous polarization values comparable to their traditional solid state…

Devonshire theory provides a successful phenomenological description of many cubic perovskite ferroelectrics such as BaTiO3 via a sixth-order expansion of the free energy in the polar order parameter. However, the recent discovery of a…