Related papers: Prediction of an Extended Ferroelectric Clathrate
Ferroelectric ceramics (Ba0.85Ca0.15)(Ti0.9Zr0.1-xSnx)O3 (x=0.00, 0.02, 0.04, 0.06) were prepared by a sol-gel method. Structural investigation revealed the co-existence of tetragonal (P4mm) and orthorhombic (Pmm2) symmetries at room…
After the decade-long exhaustive study of binary high-Tc superconducting hydrides, the frontier of this stimulating research field has recently shifted to ternary hydrides with much expanded conformational space in search of coveted…
We develop a simple diagrammatic low-energy boson exchange strong-coupling model for an antiferromagnetically correlated polaronic metal. Important low-temperature features of such a model are (i) a large polaronic mass enhancement $Z$ and…
Using first-principles calculations, we estimated the impact of large applied electric E fields on the structural, dielectric, and ferroelectric properties of typical ferroelectrics. At large fields, the structural parameters change…
Identification of novel multiferroic materials with high-ordering temperatures remains at the forefront of condensed matter physics research. In this regard, the antiferromagnetic RCrO$_3$ compounds (like GdCrO$_3$) constitute a promising…
We present a theoretical investigation of the anomalous ferroelectricity of mixed-stack charge transfer molecular crystals, based on the Peierls-Hubbard model, and first principles calculations for its parameterization. This approach is…
Since the discovery of high-temperature superconductivity in the thin-film FeSe/SrTiO$_3$ system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the…
Ferroelectric switching is unambigiously demonstrated for the first time in a III-V semiconductor based material: AlScN -- A discovery which could help to satisfy the urgent demand for thin film ferroelectrics with high performance and good…
This paper presents high-temperature ferroelectric characterization of 40~nm Al$_{1-x-y}$B$_x$Sc$_y$N (AlBScN) thin film capacitors grown by co-sputtering Al$_{0.89}$B$_{0.11}$ and Sc targets onto Pt(111)/Ti(002)/Si(100) substrates.…
We report on extended investigation of the thermal transport and acoustical properties on hard carbon samples obtained by pressurization of C60 fullerene. Structural investigations performed by different techniques on the same samples…
Based on the first-principles calculations, we investigated the ferroelectric properties of two-dimensional (2D) Group-IV tellurides XTe (X=Si, Ge and Sn), with a focus on GeTe. 2D Group-IV tellurides energetically prefer an orthorhombic…
The pursuit of room-temperature superconductors has recently advanced with the discovery of high-temperature superconductivity in compressed hydrides, although sustaining the superconductivity of hydrides at ambient pressure remains…
We report a systematic study of the structure, electric and magnetic properties of Ca$_3$Co$_{2-x}$Mn$_x$O$_6$ single crystals with $x =$ 0.72 and 0.26. The DC and AC magnetic susceptibilities display anomalies with characteristic of the…
Ferroelectricity at room temperature has been demonstrated in nanometer-thin quasi 2D croconic acid thin films, by the polarization hysteresis loop measurements in macroscopic capacitor geometry, along with observation and manipulation of…
Room temperature coexistence of ferromagnetism and ferroelectricity in a thin film of a novel material of nominal composition PbTi0.5Fe0.5O3-d is probed by standard ferroelectric and ferromagnetic hysteresis loop measurements and by…
Optical spectroscopy, X-ray diffraction measurements, density functional theory (DFT) and density functional theory + embedded dynamical mean field theory (DFT+eDMFT) have been used to characterize structural and electronic properties of…
Multiferroic materials, which simultaneously exhibit ferroelectricity and magnetism, have attracted substantial attention due to their fascinating physical properties and potential technological applications. With the trends towards device…
Thermal excitations typically reduce the electric polarization in ferroelectric materials. Here, we show by means of first-principles calculations that multiferroic BiFe$_{1-x}$Co$_{x}$O$_{3}$ solid solutions with $0.25 \le x \le 0.50$…
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…
Properties of (BaTiO$_3$)$_1$/(BaZrO$_3$)$_n$ ferroelectric superlattices (SLs) with $n = {}$1--7 grown in the [001] direction are calculated from first principles within the density functional theory. It is revealed that the…