Related papers: Prediction of an Extended Ferroelectric Clathrate
Half-metallic ferromagnets show 100% spin-polarization at the Fermi level and are ideal candidates for spintronic applications. Despite the extensive research in the field, very few materials have been discovered so far. Here we present…
In this study, we investigate the formation of electron and hole small polarons in the prototypical ferroelectric material BaTiO3, with a focus on their interaction with ferroelectric distortive fields. To accurately describe the…
We report a study of Co-doped berthierite Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ ($x$ = 0, 0.1, and 0.2). The alloy series of Fe$_{1-x}$Co$_x$Sb$_2$S$_4$ crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb$_2$, and show…
In semiconductor spintronics, the generation of highly spin-polarized carriers and the efficient probe of spin order (due to strong ferromagnetism) -- at or above room temperature -- are crucial because it allows for the design of…
Thermoelectric materials create an electric potential when subject to a temperature gradient and vice versa hence they can be used to harvest waste heat into electricity and in thermal management applications. However, finding highly…
Thermoelectric effects enable the direct conversion between thermal and electrical energy and provide an alternative route for power generation and refrigeration. The clathrate Ba8Ga16Ge30 has the highest figure of merit (ZT ~ 1) among…
Since 2000, the intensive effort in materials research to develop a diluted magnetic semiconductor exhibiting high-temperature (HT) ferromagnetism above room temperature was not successful. Here, the possible first bulk diluted…
The structural, dielectric and ferroelectric properties of lead-free (Na0.5-xKxBi0.5-xLax)TiO3 powders synthesized by sol-gel self-combustion method were investigated. Rietveld refinement of Synchrotron x-ray diffraction data confirms pure…
In this work we probe the possibility of high-temperature conventional superconductivity in the boron-carbon system, using ab-initio screening. A database of 320 metastable structures with fixed composition (50$\%$/50$\%$) is generated with…
SrTiO$_3$ is an incipient ferroelectric on the verge of a polar instability, which is avoided at low temperatures by quantum fluctuations. Within this unusual quantum paraelectric phase, superconductivity persists despite extremely dilute…
We present an ab initio study of the structural and electronic transport properties of tetrahedrite, Cu$_{12}$Sb$_4$S$_{13}$, in its high-temperature phase. We show how this complex compound can be seen as the outcome of an ordered…
By using the semi-wet synthesis method, lead-free ferroelectric materials Ba0.9Sr0.1Ti1-xSnxO3 with x = 0, 0.02, 0.05, and 0.10 (abbreviated as BSTS) were prepared and their structural, electric and electrocaloric properties were…
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
Wide band gap materials are particularly relevant at high temperatures. The band gap shrinkage at higher temperatures prevents device applications with narrow band gap semiconductors. Considering $\alpha$-phase strontium cyanurate as a…
We show that the electric polarization at the interface with ultrathin superconducting (S) films sandwiched between ferroelectric (FE) layers allows achievement of substantially stronger modulation of inner carrier density and…
Recent findings of a large electrocaloric (EC) effect in polymeric and inorganic ferroelectric materials open a potential possibility of development of solid-state cooling or heating devices of new generation with better energy efficiency…
Polycrystalline samples of CuCrO2 were synthesized by solid state reaction method. Temperature dependent dielectric measurements, synchrotron x-ray diffraction (SXRD), pyroelectric current and Raman measurements have been performed on these…
The crystal structure of barium-germanium clathrate Ba6Ge25 was studied using neutron powder diffraction in the temperature range 20-300K. The compound was found to be cubic (S.G. P4_1 23) in the entire temperature range. However, the…
Relaxor ferroelectric thin films are recognized for their ultrahigh power density, rendering them highly promising for energy storage applications in electrical and electronic systems. However, achieving high energy storage performance with…
The ground-state structure of monolayers and nanoplatelets of SnS with a thickness from two to five monolayers is calculated from first principles. It is shown that nanoobjects with only odd number of monolayers are ferroelectric. The…