Related papers: Superconductivity and strong anharmonicity in nove…
Hydrogen-rich compounds have been extensively studied both theoretically and experimentally in the quest for novel high-temperature superconductors. Reports on sulfur-hydride attaining metallicity under pressure and exhibiting…
The role of anharmonicity on superconductivity has often been disregarded in the past. Recently, it has been recognized that anharmonic decoherence could play a fundamental role in determining the superconducting properties (electron-phonon…
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical…
Recently it was discovered that, under elevated pressures, MoB$_2$ exhibits superconductivity at a critical temperature, $T_c$, as high as 32 K. The superconductivity appears to develop following a pressure-induced structural transition…
We report a previously unknown monolayer borophene allotrope and we call it super-B with a flat structure based on the ab initio calculations. It has good thermal, dynamical, and mechanical stability compared with many other typical…
We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB$_{2}$. The excellent agreement between theory and our inelastic neutron scattering measurements of the phonon…
The highest superconducting temperature T$_c$ observed in any elemental metal (Li with T$_c$ ~ 20 K at pressure P ~ 40 GPa) is shown to arise from critical (formally divergent) electron-phonon coupling to the transverse T$_1$ phonon branch…
The computational and experimental exploration of the phase diagrams of binary hydrides under high pressure has uncovered phases with novel stoichiometries and structures, some which are superconducting at quite high temperatures. Herein we…
We report the results of electrical resistivity, magnetic and thermodynamic measurements on polycrystalline SnSb, whose structure consists of stacks of Sb bilayers and Sn4Sb3 septuple layers along the c-axis. The material is found to be a…
Neutron scattering measurements have been performed on polycrystalline samples of the newly discovered layered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_{2}$, and its nonsuperconducting parent compound LaOBiS$_{2}$. The crystal structures and…
Using the Korringa-Kohn-Rostoker coherent-potential approximation in the atomic-sphere approximation (KKR-ASA CPA) we have studied the changes in the electronic structure and the superconducting transition temperature T_{c} in Nb_{1-x}B_{2}…
Recent experiments demonstrate a "robust superconductivity phenomenon" in niobium-based alloys, where the superconducting state remains intact and the critical temperature ($T_c$) is largely unaffected by external pressure well above tens…
The newly discovered BaPt$_2$As$_2$ shows a structural distortion at around 275~K, followed by the emergence of superconductivity at lower temperatures. Here we identify the presence of charge density wave (CDW) order at room temperature…
High pressure structures, phase diagram and superconductivity of polonium hydrides have been systematically investigated through the first-principles calculations based on the density functional theory. With the increasing pressure, several…
The effects of pressure up to $\sim 20$ kbar, on the structural phase transition of SrFe$_2$As$_2$ and lightly Sn-doped BaFe$_2$As$_2$, as well as on the superconducting transition temperature and upper critical field of…
We report the discovery of superconductivity in binary alloy Sn$_{1-x}$Sb$_{x}$ with $x$ in the range of 0.43 to 0.6, which possesses a modulated rhombohedral structure due to the incommensurate ordering of Sn and Sb layers along the…
Stoichiometric near room-temperature superconductors (i.e., $H_3S$ and $LaH_{10}$) exhibit so high ground state upper critical field, $B_{c2}(0)>100 T$, that the magnetic phase diagram in these materials cannot be measured in…
We present the first $ab$-$initio$ study of superconductivity in NbTi, the workhorse for many applications. Despite its apparent simplicity, NbTi turns out to be a major challenge for computational superconductivity. In fact, anharmonic…
We present magnetic susceptibility and electrical transport measurements of the highly anisotropic compound LaSb$_2$ observing a very broad transition into a clean, consistent with type-I, superconducting state with distinct features of 2…
It is known that in pressurized H2S the complex electronic structure in the energy range of 200 meV near the chemical potential can be separated into two electronic components, the first characterized by steep bands with a high Fermi…