Related papers: Hexagonal $ABC$ as semiconducting ferroelectrics
The properties of semiconductors and functional dielectrics are defined by their response in electric fields, which may be perturbed by defects and the strain they generate. In this work, we demonstrate how diffraction-based X-ray…
Hexagonal perovskites with face-sharing octahedral connectivity are an underexplored class of materials. We propose quantitative design principles for stabilizing face-sharing ABX3 hexagonal perovskites based on a comparative analysis of…
Following the recent theoretical prediction of superconductivity in hole doped LiBC by Rosner et al [1], we have attempted to synthesise Li deficient LixBC (x = 1, 0.8, 0.6 and 0.4) and look for superconductivity in this system. Our…
LiBC, a semiconducting ternary borocarbide constituted of the lightest elements only, has been synthesized and characterized by x-ray powder diffraction, dielectric spectroscopy, and conductivity measurements. Utilizing an infrared…
We introduce decoratypes as a structure taxonomy that classifies compounds based on site decorations of specific structural prototypes. Building on this foundation, a ferroelectric materials discovery framework is developed, integrating…
Employing many-valued logic (MVL) data processing allows to dramatically increase the performance of computing circuits. Here we propose to employ ferroelectrics for the material implementation of MVL units basing on their ability to pin…
We consider a typical heterostructure domain patterned ferroelectric film/ultra thin dielectric layer/ semiconductor, where the semiconductor can be an electrolyte, paraelectric or multi layered graphene. Unexpectedly we have found that the…
Searching for high-performance thermoelectric (TE) materials in the paradigm of narrow-bandgap semiconductors has lasted for nearly 70 years and is obviously hampered by a bottleneck of research now. Here we report on the discovery of a few…
Using first-principles calculations, we predict a lightweight room-temperature ferroelectric carbon-boron framework in a host/guest clathrate structure. This ferroelectric clathrate, with composition ScB$_3$C$_3$, exhibits high polarization…
Thermoelectrics are a promising class of materials for renewable energy owing to their capability to generate electricity from waste heat, with their performance being governed by a competition between charge and thermal transport. A…
Regression machine learning is widely applied to predict various materials. However, insufficient materials data usually leads to a poor performance. Here, we develop a new voting data-driven method that could generally improve the…
First experimental observations of the ferromagnetic shielding effect in high-Tc superconducting coated conductors were carried out. Experimental results were compared to simulations calling upon finite-element calculations based on the…
Van der Waals (vdW) materials have greatly expanded our design space of heterostructures by allowing individual layers to be stacked at non-equilibrium configurations, for example via control of the twist angle. Such heterostructures not…
Thermoelectric materials are of great interest for heat energy harvesting applications. One such promising material is TlGaSe$_{2}$, a p-type semiconducting ternary chalcogenide. Recent reports show it can be processed as a thin film,…
The second class of high-temperature superconductors (HTSCs), iron-based pnictides and chalcogenides, necessarily contain Fe$_2$$X_2$ ("$X$" refers to a pnictogen or a chalcogen element) layers, just like the first class of HTSCs which…
Hexagonal SiGe is a promising material for combining electronic and photonic technologies. In this work, the energetic, structural, elastic and electronic properties of the hexagonal polytypes (2$H$, 4$H$ and 6$H$) of silicon and germanium…
It is demonstrated based on continuum mechanics modeling and simulation that it is possible to obtain polycrystalline ceramic ferroelectric materials which beggars single crystals in electromechanical properties. The local inhomogeneities…
In this study, we conduct a comprehensive theoretical analysis of a Fibonacci quasicrystalline stacking of ferromagnetic layers, potentially realizable using van der Waals magnetic materials. We construct a model of this magnetic…
Precise determination of the solid-state microstructure of semiconducting polymers is of paramount importance for the further development of these materials in various organic electronic technologies. Yet, prior characterization of the…
FeCl2 is a promising single-layer material with sizeable magnetic susceptibility and insulating character that can be easily grown by molecular beam epitaxy on various surfaces. In order to include it into the select palette of van der…