Related papers: ScPd2Al3 New Polymorphic Phase in Al-Pd-Sc System
Superconducting (SC) gap symmetry and magnetic response of cubic U0.97Th0.03Be13 are studied by means of high-precision heat-capacity and dc magnetization measurements using a single crystal, in order to address the long-standing question…
Fast-cooling after sintering or annealing of BiFeO3-BaTiO3 mixed oxide ceramics yields core-shell structures that give excellent functional properties, but their precise phase assemblage and nanostructure remains an open question. By…
Herein we report on the thermal expansions and temperature-dependent crystal structures of select ternary carbide MAX phases in the Ti-Al-C phase diagram in the 100-1000 deg C temperature range. A bulk sample containing 38 wt.% Ti5Al2C3,…
The three dimensional (3D) topological insulators are predicted to exhibit a 3D Dirac semimetal state in critical regime of topological to trivial phase transition. Here we demonstrate the first experimental evidence of 3D Dirac semimetal…
Polycrystalline sample of the new layered superconductor Bi4O4S3 is successfully synthesized by solid-state reaction method by using Bi, S and Bi2O3 powders with one step reaction. The superconducting transition temperature (Tconset=4.5 K),…
Tin sulfides SnxSy are important class of materials that are actively investigated as novel photovoltaic and water splitting materials. First-principles evolutionary crystal structure search is performed with the goal of constructing the…
We have investigated the superconducting properties in a single crystal of a new superconductor Pb$_{2}$Pd via various techniques including magnetization, AC transport, transverse field muon spin rotation and relaxation (TF-$\mu$SR), and…
The intermetallic compound Zr3Al is severely deformed by the method of repeated cold rolling. By X-ray diffraction it is shown that this leads to amorphization. TEM investigations reveal that a homogeneously distributed debris of very small…
The intermetallic compound, YRhAl, has been prepared and is found to be isomorphic with RRhAl (R=Pr, Nd, Gd, Ho and Tm) compounds crystallizing in the orthorhombic TiNiSi-type structure (Space group Pnma). Heat capacity and electrical…
Understanding the covalent clathrate formation is a crucial point for the design of new superhard materials with intrinsic coupling of superhardness and metallic conductivity. Silicon clathrates have the archetype structures that can serve…
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline structure types were uncovered ranging from those possessing…
Vacuum heat treatment of mechanically-alloyed powders of boron and aluminum leads to formation of a metastable Al-rich phase, which can be quenched. Its structure, composition, and thermal stability are established. With chemical formula…
The superconducting (SC) phase in the phase-separated (PS) K0.8Fe1.6+xSe2 (0<=x<=0.15) materials is found to crystallize on Archimedean solid-like frameworks, this structural feature originate from a spinodal phase separation (SPS) at…
Recently a new family of Cr-based A2Cr3As3 (A = K, Rb, Cs) superconductors were reported, which own a rare quasi-one-dimensional (Q1D) crystal structure with infinite (Cr3As3)2- chains and exhibit intriguing superconducting characteristics…
We characterize a novel orthorhombic phase (gamma) of NaAlH4, discovered using first-principles molecular dynamics, and discuss its relevance to the dehydrogenation mechanism. This phase is close in energy to the known low-temperature…
Piezoelectric and ferroelectric ceramics with a high Curie temperature (Tc) have attracted a growing attention owning to their applications under severe environments. In this work, phase structure, dielectric, ferroelectric and…
We use density functional theory (DFT) calculations to investigate structural models consisting of anatase TiO2(101) slabs covered by reduced overlayers formed by (101) crystallographic shear planes (CSPs). Ab initio thermodynamics supports…
A single-phase high pressure (HP) modification of CsxFe2-ySe2 was synthesized at 11.8 GPa at ambient temperature. Structurally this polymorph is similar to the minor low pressure (LP) superconducting phase, namely they both crystallize in a…
The synthesis of IrI$_3$ at high pressure in its layered honeycomb polymorph is reported. Its crystal structure is refined by single crystal X-ray diffraction. Faults in the honeycomb layer stacking are observed by single crystal…
Based on first-principles calculations, we show that stoichiometric TaSe3, synthesized in space group P21/m, belongs to a three-dimensional (3D) strong topological insulator (TI) phase with Z2 invariants (1;100). The calculated surface…