相关论文: Ternary Bismuthide SrPtBi2: Computation and Experi…

PtBi$_2$ is a polymorphic system with interesting electronic properties. Here we report optimized crystal growth and structural characterization of pyrite-type and trigonal modification of PtBi$_2$. Selected area electron diffraction, X-ray…

Be-B/B-Ta based compounds are very attractive to researchers because of their high density and ultra-hardness. But ternary Be-B-Ta compounds are neither synthesized nor predicted. In this paper, variable composition evolutionary crystal…

Here we report the synthesis and superconductivity of a novel ternary compound LaPd2Bi2. Shiny plate-like single crystals of LaPd2Bi2 were first synthesized by high-temperature solution method with PdBi flux. X-ray diffraction analysis…

We report details of single crystal growth of stoichiometric bismuthide PtBi$_2$ whose structure consists of alternate stacking of Pt layer sandwiched by Bi bilayer along the $c$-axis. The compound crystallizes in space group P-3 with a…

We consider a system where structural polymorphism suggests the possible existence of superconductivity through the implied structural instability. SrPd2Bi2 has two poly-morphs which can be controlled by the synthesis temperature: a…

Ternary hydrides have emerged as the primary focus of the new wave of research into superconducting hydrides. In this work, Mg-Ti-H ternary hydrides are explored under high pressures up to 300 GPa using the prediction method of the particle…

ThCr2Si2-type intermetallic compounds are known to exhibit superelasticity associated with structural transitions through lattice collapse and expansion. These transitions occur via the formation and breaking of Si-type bonds, respectively,…

Binary metal sulfides are potential material family for exploring high Tc superconductors under high pressure. In this work, we study the crystal structures, electronic structures and superconducting properties of the Lu-S system in the…

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands…

In the search for superconductivity in BaAu2Sb2-type monoclinic structure, we have successfully synthesized a new compound BaPt2Bi2, which crystallizes in the space group P21/m (S.G. 11; Pearson symbol mP10) according to a combination of…

We report the computational investigation of a series of ternary X$_4$Y$_2$Z and X$_5$Y$_2$Z$_2$ compounds with X={Mg, Ca, Sr, Ba}, Y={P, As, Sb, Bi}, and Z={S, Se, Te}. The compositions for these materials were predicted through a search…

The Li$_2$S-P$_2$S$_5$ pseudo-binary system has been a valuable source of promising superionic conductors, with $\alpha$-Li$_3$PS$_4$, $\beta$-Li$_3$PS$_4$, HT-Li$_7$PS$_6$, and Li$_7$P$_3$S$_{11}$ having excellent room temperature Li-ion…

Here we report the synthesis and discovery of superconductivity in a novel ternary iridium-arsenide compound BaIr2As2. The polycrystalline BaIr2As2 sample was synthesized by a high temperature and high pressure method. Crystal structural…

We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200$\,$GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling. Our…

Over the past decade, a combination of crystal structure prediction techniques and experimental synthetic work has thoroughly explored the phase diagrams of binary hydrides under pressure. The fruitfulness of this dual approach is…

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…

The abundant chemical compositions in ternary hydrides bring much more possibility to explore high temperature superconductors under lower pressure. Here we constructed 115 ternary hydrides on the basis of the elements substitution using 16…

A ternary compound, MgPtSi, was synthesized by solid-state reaction. An examination of the compound by powder X-ray diffraction revealed that it crystallizes in the orthorhombic TiNiSi-type structure with the Pnma space group. The structure…

Ternary or more complex hydrogen-rich hydrides are the main hope of reaching room-temperature superconductivity at high pressures. Their chemical space is vast and its exploration is challenging. Here we report the investigation of the…

Ternary hydrides are considered as the ideal candidates with high critical temperature (Tc) stabilized at submegabar pressure, evidenced by the recent discoveries in LaBeH8 (110 K at 80 GPa) and LaB2H8 (106 K at 90 GPa). Here, we…