相关论文: Phase transitions in typical fluorite-type ferroel…

Different dopants with their specific dopant concentration can be utilized to produce ferroelectric HfO$_2$ thin films. In this work it is explored for the example of Sr in a comprehensive first-principles study. Density functional…

Ferroelectric ordering in liquids is a fundamental question of physics. Here, we show that ferroelectric ordering of the molecules causes formation of recently reported splay nematic liquid-crystalline phase. As shown by dielectric…

Recent discovery of HfO2-based and nitride-based ferroelectrics that are compatible to the semiconductor manufacturing process have revitalized the field of ferroelectric-based nanoelectronics. Guided by a simple design principle of charge…

We have investigated the dielectric and magnetic properties of Eu$_{0.595}$Y$_{0.405}$MnO$_{3}$ $without$ the presence of the 4$f$ magnetic moments of the rare earth ions, and have found two ferroelectric phases with polarization along the…

In a previous work a model was proposed for the phase transitions of crystals with localized magnetic moments which at low temperature have a "conical" arrangement that at higher T transforms into a more symmetrical structure (depending on…

Persistent electrical polarized states are fundamentally important to the electric industry as they can be used in the non-volatile memory, the artificial neuromorphic network, and negative capacitors, making ultralow energy consumption…

Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure.…

CaxBa1-xNb2O6 (CBN) ferroelectric is isostructural with SrxBa1-xNb2O6 (SBN) that is a prototypical ferroelectric of tetragonal tungsten bronze (TTB) structure, but shows a much higher Curie temperature Tc than SBN, providing a wider…

The four-state model is proposed for description of phase transition in ferroelectric crystals of DMAGaS and DMAAlS type. Thermodynamical functions of the model are obtained in the mean field approximation. The phase transition between…

Two dimensional multiferroics with out of plane ferroelectricity hold significant promise for miniaturized magnetoelectric spin-orbit transistors, yet systems combining robust ferroelectricity and strong magnetoelectric coupling are…

Whereas ferroelectricity may vanish in ultra-thin ferroelectric films, it is expected to emerge in ultra-thin anti-ferroelectric films, sparking people's interest in using antiferroelectric materials as an alternative to ferroelectric ones…

Hafnium oxide (HfO2)-based ferroelectrics offer remarkable promise for memory and logic devices in view of their compatibility with traditional silicon CMOS technology, high switchable polarization, good endurance and thickness scalability.…

SrTiO$_{3}$, a quantum paraelectric, becomes a metal with a superconducting instability after removal of an extremely small number of oxygen atoms. It turns into a ferroelectric upon substitution of a tiny fraction of strontium atoms with…

We develop a series of approximations to calculate free energy of a polar liquid. We show that long range nature of dipole interactions between the molecules leads to para-electric state instability at low temperatures and to a second-order…

We have investigated orthorhombic $R$MnO$_{3}$ ($R$=(Gd$_{1-y}$Tb$_{y}$)) crystals near the phase boundary between the paraelectric $A$-type-antiferromagnetic (AF) phase (PA) and the ferroelectric transverse-spiral-AF one (FS). The spiral…

First-principles density-functional calculations within the local-density approximation and the pseudopotential approach are used to study and characterize the ferroelastic phase transition in calcium chloride (CaCl_2). In accord with…

In this work, we carry out first-principles calculations and lattice mode analysis to investigate the polarization switching mechanism in HfO$_2$. Because the stability of the polar orthorhombic $Pca2_1$ phase of HfO$_2$ arises from a…

In the present investigation, some novel magnetic behaviors exhibited by double perovskite (DP) Eu2CoMnO6(ECMO) has been reported. XRD analysis of ECMO showed that it has a monoclinic crystal structure (space group P 21/n). A second-order…

We compute the equilibrium crystal structure and phase stability of iron at the alpha(bcc)-gamma(fcc) phase transition as a function of temperature, by employing a combination of ab initio methods for calculating electronic band structures…

Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by…