Related papers: Prediction of an Extended Ferroelectric Clathrate
Recent years witnessed a rapid growth of interest of scientific and engineering communities to thermal properties of materials. Carbon allotropes and derivatives occupy a unique place in terms of their ability to conduct heat. The…
We show that, under achievable experimental conditions, a Bose-Einstein condensate (BEC) of polar molecules can exhibit dielectric character. In particular, we derive a set of self-consistent mean-field equations that couple the condensate…
Recent experimental reports on the realizations of two-dimensional (2D) networks of the C60-based fullerenes with anisotropic and nanoporous lattices represent a significant advance, and create exciting prospects for the development of a…
We report the electrical resistivity, Hall coefficient, thermoelectric power, specific heat, and thermal conductivity on single crystals of the type-VIII clathrate Ba8Ga16Sn30 grown from Sn-flux. Negative S and R_H over a wide temperature…
Two-dimensional (2D) structures of boron atoms so called borophene, have recently attracted remarkable attention. In a latest exciting experimental study, a hydrogenated borophene structure was realized. Motivated by this success, we…
In the polar catastrophe scenario, polar discontinuity accounts for the driving force of the formation of a two-dimensional electron gas (2DEG) at the interface between polar and non-polar insulators. In this paper, we substitute the usual,…
Recent reported very high thermal conductivities in the cubic boron arsenide (BAs) and boron phosphide (BP) crystals could potentially provide a revolutionary solution in the thermal management of high power density devices. To fully…
The tri-layered perovskite Sr4Rh3O10 is reported for the first time. High-pressure and high-temperature heating (6 GPa and 1500 C) brought about successful preparation of a polycrystalline sample of the expected member at n=3 of…
Mysterious high temperature structureless transitions in (TMTTF)2X compounds have been discovered in mid 80's (Coulon, Lawersanne,vet al), but left unexplained and abandoned, together with other warnings from structural effects (Moret,…
We report modifications of the ferroelectric and electrocaloric properties of BaTiO$_3$ by defects. For this purpose, we have combined \textit{ab initio}-based molecular dynamics simulations with a simple model for defects. We find that…
In this paper the synthesis and study of the structural, morphological, electrical, magnetic and electronic properties of the LaBiFe2O6 novel material are reported. The material was produced using the standard ceramic method. The Rietveld…
We discuss the emergence of low dimensional ferroelectricity in self-organized Pr0.67Ca0.33MnO3 nanocrystalline arrays deposited on Si substrate. We observe sharp switching of electric polarization under external electric eld with nearly…
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…
Large values of Born effective charges are generally considered as reliable indicators of the genuine tendency of an insulator towards ferroelectric instability. However, these quantities can be very much influenced by strong electron…
We examine the electronic properties of newly discovered "ferroelectric" metal LiOsO$_3$ combining density-functional and dynamical mean-field theories. We show that the material is close to a Mott transition and that electronic…
Ferroelectricity has recently been demonstrated in germanium-based inorganic halide perovskites. We use atomistic first-principles-based simulations to study ultra-thin CsGeBr$_3$ films with thicknesses of 4-18 nm and develop a theory for…
While it is known that the amplification of the superconducting critical temperature Tc is possible in a system of multiple electronic components in comparison with a single component system, many different road maps for room temperature…
Nowdays, multiferroic materials with magnetoelectric coupling have many real-world applications in the fields of novel memory devices. It is challenging is to create multiferroic materials with strongly coupled ferroelectric and…
Ferroelectricity, a hallmark of spontaneous inversion-symmetry breaking, has been a central concept in condensed matter physics and functional materials research, yet recent discoveries are revealing that switchable polarization can emerge…
Thermoelectric materials based on earth-abundant and non-toxic elements are very useful in cost-effective and eco-friendly waste heat management systems. The constituents of SrGaSnH are earth-abundant and non-toxic, thus we have chosen…