Related papers: Prediction of an Extended Ferroelectric Clathrate
We predict the formation of ferron-polariton - a hybrid light-matter quasiparticle arising from the coupling between collective ferroelectric excitations (ferrons) and Swihart photons in a superconductor/ferroelectric/superconductor…
Two-dimensional ferroelectric materials are beneficial for power-efficient memory devices and transistor applications. Here, we predict out-of-plane ferroelectricity in a new family of buckled metal oxide (MO; M: Ge, Sn, Pb) monolayers with…
The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure,…
We present a phenomenological model of periodic ferroelectric-superconductor (FE-S) heterostructures containing two alternating ferroelectric and superconducting layers. The interaction at the FE-S contacts is described as a coupling of the…
We report for the first time, that Fe3Se4 is a room temperature, type-II multiferroic with magnetoelectric coupling. We observed the coexistence of coupled ferrimagnetic and ferroelectric ordering in Fe3Se4nanorods well above room…
Polycrystals of CaxBa1-xNb2O6(CBN) tungsten bronze type oxides have been prepared and their structural, dielectric, and thermal properties have been investigated. It was found that CBN alloys with ferroelectric tetragonal tungsten bronze…
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be…
Recently ferroelectricity has been demonstrated in the family of halide perovskites: CsGeX$_3$ (X=Cl, Br, I). We develop a first-principles-based computational approach to probe finite-temperature properties of \cgb. Our computations reveal…
To elucidate the geometric structure of the putative room temperature superconductor, carbonaceous sulfur hydride, at high pressure, we present the results of an extensive computational structure search of bulk C-S-H at 250 gigapascals.…
Carbon materials are attracting increasing attention due to the novelty of the associated physical properties and the potential applications in high-tech devices. The possibility to achieve outstanding properties in macroscopic carbon…
The theoretical description of the nanostructured Pb(Fe1/2Ta1/2)x(Zr1/2Ti1/2)1-xO3 (PFTx-PZT(1-x)) and Pb(Fe1/2Nb1/2)x(Zr1/2Ti1/2)1-xO3 (PFNx-PZT(1-x)) intriguing ferromagnetic, ferroelectric and magnetoelectric properties at temperatures…
The spontaneous ferroelectric polarization of low-temperature monoclinic Fe3O4 was investigated by first-principles calculations.
In ferroelectrics, complex interactions among various degrees of freedom enable the condensation of topologically protected polarization textures. Known as ferroelectric solitons, these particle-like structures represent a new class of…
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…
Solid-state cooling presents an energy-efficient and environmentally friendly alternative to traditional refrigeration technologies that rely on thermodynamic cycles involving greenhouse gases. However, conventional caloric effects face…
The weighted density approximation, its implementation and its application to ferroelectric materials is discussed. Calculations are presented for several perovskite oxides and related materials. In general the weighted density…
Exciton-polariton condensation in direct bandgap semiconductors strongly coupled to light enables a broad range of fundamental studies and applications like low-threshold and electrically driven lasing. Yet, materials hosting…
Standing on successful first principles predictions for new functional ferroelectric materials, a number of new ferroelectrics have been experimentally discovered. Utilizing trilinear coupling of two types of octahedron rotations, hybrid…
Topological semimetal may have substantial applications in electronics, spintronics and quantum computation. Recently, ZrTe is predicted as a new type of topological semimetal due to coexistence of Weyl fermion and massless triply…
We report that ice nanotubes with odd number of side faces inside carbon nanotubes exhibit spontaneous electric polarization along its axes direction by using molecular dynamics simulations. The mechanism of this nanoscale…