Related papers: Pressure-induced Superconductivity in CaC2
Recently YH6, compound from a group of theoretically predicted stable compressed MH6 hydrides (M/ Ca, Mg, Y, Sc) with bcc Im-3m crystal structure, was successfully experimentally realized. Superconductivity of pressurized YH6 was confirmed…
By means of first-principles calculations, we studied stable lattice structures and estimated superconducting transition temperature of CaSi$_2$ at high pressure. Our simulation showed stability of the AlB$_2$ structure in a pressure range…
The competition between superconductivity and other ground states of solids is one of the challenging topics in condensed matter physics. Apart from high-temperature superconductors [1,2] this interplay also plays a central role in the…
We report a systematic and ab-initio electronic structure calculation of Ca0.75 M0.25 Fe2 As2 with M = Ca, Sr, Eu, La, Ce, Pr, Nd, Pm, Sm, Na, K, Rb. The recently reported experimentally observed structural trends in rare earths-doped CaFe2…
With the relatively high critical temperature (Tc) of 39 K1 and the high critical current density (Jc) of > 100000 A/cm2 in moderate fields, magnesium diboride (MgB2) superconductors could offer the promise of important large-scale and…
We report a detailed study of the electronic and structural properties of the 39K superconductor \mgbtwo and of several related systems of the same family, namely \mgalbtwo, \bebtwo, \casitwo and \cabesi. Our calculations, which include…
Kagome lattice systems have been proposed to host rich physics, which provide an excellent platform to explore unusual quantum states. Here, we report on the discovery of superconductivity in van der Waals material Pd3P2S8 under pressure.…
Exploring the chemistry of materials at high pressures has lead to the discovery of previously unknown exotic compounds. Here, we systematically search for all thermodynamically stable Sr-C compounds under pressure (up to 100 GPa) using the…
Orthorhombic (space group: Pnma) Nb2P5 is a high-pressure phase that is quenchable to ambient pressure, which could viewed as the zigzag infinite P chain-inserted NbP2. We report herein the high-pressure crystal growth of Nb2P5 and the…
Superconductivity in Iron-Arsenic based pnictides emerges in close proximity to an antiferromagnetic (AFM)ordered parent state and the AFM phase overlaps with superconducting (SC) phase in some pnictides for certain range of doping.…
Metal hydrides MHx with low hydrogen content are not expected to show high-Tc superconductivity owing to the low hydrogen-derived electronic density of states at Fermi level and the limited hydrogen contribution to electron-phonon coupling…
Recently, the superconducting transition temperature Tc = 287 K has been experimentally obtained in the material composed of carbon, sulfur, and hydrogen under the high pressure of 267 GPa. The material structure is unknown yet, where the…
In this study, we explore lithium-doped stable molecular hydrogen structures by performing first-principles crystal structure searches across varying compositions in the Li-H system under high pressure. Our search reveals a cubic phase of…
The urgent need to mitigate rising atmospheric CO2 levels motivates the search for stable, efficient, and tunable adsorbent materials. In this study, we employ first-principles density functional theory to investigate the adsorption of CO2…
We predict the possibility of realizing room-temperature superconductivity in different 2D domains within the ceramic high-Tc cuprates at ambient pressure and experimentally confirm this prediction of 2D room-temperature superconductivity…
Aliovalent rare earth substitution into the alkaline earth site of CaFe2As2 single-crystals is used to fine-tune structural, magnetic and electronic properties of this iron-based superconducting system. Neutron and single crystal x-ray…
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…
The nature of the superconducting pairing state in the pristine phase of a compressed kagome metal CsV$_3$Sb$_5$ under pressure is studied by the Migdal-Eliashberg formalism and density-functional theory calculations. We find that the…
Although there is no complete theory of high temperature superconductivity, the importance of CuO$_2$ planes in cuprate superconductors is confirmed from both theory and experiments. Strong Coulomb repulsion between electrons on the CuO$_2$…
In the last decade, there has been great progress in predicting and synthesizing polyhydrides that exhibit superconductivity when squeezed. Dopants allow these compounds to become metals at pressures lower than those required to metallize…