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The research on hydrogen-rich ternary compounds attract tremendous attention for it paves new route to room-temperature superconductivity at lower pressures. Here, we study the crystal structures, electronic structures, and superconducting…
Lu5Rh6Sn18 is one of the caged-type quasiskutterudite superconductors with superconducting transition temperature Tc = 4.12 K. Here, we investigate the effect of pressure on the superconductivity in Lu5Rh6Sn18 by combining high pressure…
High-entropy alloys (HEAs) are a new class of materials constructed from multiple principal elements statistically arranged on simple crystallographic lattices. Due to the large amount of disorder present, they are excellent model systems…
Motivated by advances in hydrogen-rich superconductors in the past decades, we conducted variable-composition structural searches in Mo-H binary system at high pressure. A new composition-pressure phase diagram of thermodynamically stable…
Recently, a host/guest clathrate SrB3C3 with sp3-bonded boron-carbon framework was synthesized at around 50 GPa. On the basis of electron count, the structure is understood as guest Sr2+ cations intercalated in the (B3C3)3- framework.…
La3Co4Sn13 is a superconducting material with transition temperature at Tc = 2.70 K, which presents a superlattice structural transition at T* ~ 150 K, a common feature for this class of compounds. However, for this material, it is not…
Hydrogen-rich superhydrides are believed to be very promising high-T$_c$ superconductors, with experimentally observed critical temperatures near room temperature, as shown in recently discovered lanthanide superhydrides at very high…
Recent predictions and experimental observations of high Tc superconductivity in hydrogen-rich materials at very high pressures are driving the search for superconductivity in the vicinity of room temperature. We have developed a novel…
We report ab-initio calculations of the stability, lattice dynamics, electronic and thermoelectric properties of cubic La3-yX4 (X=S,Se,Te) materials in view of analyzing their potential for thermoelectric applications. The lanthanum motions…
Compounds of series YBa2Cu3O7-d (d = 0.7), being synthesized by solid-state synthesis route with x = 0.0, 0.10, 0.15 and 0.20, crystallize in single-phase form with tetragonal structure (space group P4/mmm). The c-lattice parameter…
We present a study concerning the partial substitution of yttrium at the lanthanum site of the undoped LaFeAsO and superconducting LaFeAsO0.85F0.15 compounds. We prepared samples with a nominal yttrium content up to 70% producing…
Metallic hydrogen and hydride materials stand as promising avenues to achieve room-temperature superconductivity. Characterized by their high phonon frequencies and moderate coupling strengths, several high-pressure hydrides were…
In this work, we analyze the feasibility of room-temperature superconductivity in the lanthanum-scandium hydride $\textit{P6/mmm}$-LaSc$_2$H$_{24}$. We demonstrate that the electron-phonon coupling calculations performed using the…
In this work, global search for crystal structures of ternary Mg-Sc-H hydrides (Mg$_x$Sc$_y$H$_z$) under high pressure ($100 \le P \le 200$ GPa) were performed using the evolutionary algorithm and first-principles calculations. Based on…
DyRh4B4 has been known to crystallize in the primitive tetragonal (pt)-structure and to exhibit a ferromagnetic transition at 12 K, the highest magnetic transition temperature in the entire series of the RRh4B4 materials [1]. We show here…
Samples of Y0.4Pr0.6Ba2-xSrxCu3O7 have been synthesized by a solid- state reaction route. The samples with x = 0.60 crystallize in an orthorhombic structure (with orthorhombic distortion decreasing with increasing x), while the samples with…
For seven decades by A-15 superconductors we meant metallic $A_3B$ alloys (where A is a transition metal, and B is groups IIIB and IVB element) discovered by Hardy and Hulm (Phys. Rev. 89, 884 (1953)). Nb3Ge exhibited the highest…
The primary challenge in the field of high-temperature superconductivity in hydrides is to achieve a superconducting state at ambient pressure rather than the extreme pressures that have been required in experiments so far. Here, we propose…
Achieving superconductivity at room temperature (RT) is a holy grail in physics. Recent discoveries on high-Tc superconductivity in binary hydrides H3S and LaH10 at high pressure have directed the search for RT superconductors to compress…
The discovery of near-room-temperature superconductivity in compressed hydrides has sparked intensive research efforts to identify superconducting hydrides stable at low or even ambient pressures. Herein, we demonstrate a new mechanism for…