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We employed a machine-learning assisted approach to search for superconducting hydrides under ambient pressure within an extensive dataset comprising over 150 000 compounds. Our investigation yielded around 50 systems with transition…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
The expansiveness of compositional phase space is too vast to fully search using current theoretical tools for many emergent problems in condensed matter physics. The reliance on a deep chemical understanding is one method to identify local…
Using the data on the superconducting critical temperature ($T_{C}$) for a number of metal hydrides, we found a rule that makes it possible to predict the maximum $T_{C}$ based only on the information about the electronic structure of metal…
Superconducting properties of a material, such as electron-electron interactions and the critical temperature of superconducting transition can be expressed via the effective dielectric response function of the material. Such a description…
Recent computational studies confirmed by experiment have established the occurrence of superconducting temperatures, $T_c$, near 200 K when the pressure is close to 200 GPa in the compound H$_3S$. Motivated by these findings we investigate…
After melting, at ambient pressure, the density of water continues to increase with temperature until it reaches a maximum around 4 {\deg}C. For nearly a century, this phenomenon has been qualitatively attributed to a mixture of ordered and…
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…
The trigonal ${\alpha}$-HgS has a 3-fold helical chain structure, and is in form of a noncentrosymmetric $P3_121$ phase, known as the cinnabar phase. However, under pressure, the helical chains gradually approach and connect with each…
One of the reasons for the lack of understanding of both the mechanisms underlying the HTSC phenomenon and of the instability of materials with Tc > 300 K may be the widely accepted but wrong ideas about the types of chemical bonding in a…
We derive a method to study the phase diagram for high temperature superconductors (HTCS). Our starting point is the Hubbard Hamiltonian with a weak attractive interaction to obtain the formation of bound pairs. We consider this attractive…
The discovery of superconductivity at 203 K in H3S brought attention back to conventional superconductors whose properties can be described by the Bardeen-Cooper-Schrieffer (BCS) and the Migdal-Eliashberg theories. These theories predict…
High- and medium-entropy nitride coatings from the Cr-Hf-Mo-Ta-W-N system were studied using ab initio calculations and experiments to clarify the role of entropy and individual elements in phase stability, microstructure, and…
We report the superconducting properties of new hexagonal Nb$_{10+2x}$Mo$_{35-x}$Ru$_{35-x}$Rh$_{10}$Pd$_{10}$ high-entropy alloys (HEAs) (0 $\leq$ $x$ $\leq$ 5). With increasing $x$, the superconducting transition temperature $T_{\rm c}$…
Criterion for contacting is critically important for the Generalized Interpolation Material Point(GIMP) method. We present an improved criterion by adding a switching function. With the method dynamical response of high melting…
The measurement of superconductivity at above 200K in compressed samples of hydrogen sulfide and lanthanum hydride at 250K is reinvigorating the search for conventional high temperature superconductors. At the same time it exposes a…
Tungsten (W) is a material of choice for the divertor material due to its high melting temperature, thermal conductivity, and sputtering threshold. However, W has a very high brittle-to-ductile transition temperature and at fusion reactor…
High-momentum top quarks are a natural physical system in collider experiments for testing models of new physics, and jet substructure methods are key both to exploiting their largest decay mode and to assuaging resolution difficulties as…
A series of Mn-doped CaKFe4As4 samples, CaK(Fe1-xMnx)4As4 with x values of 0, 0.005, 0.01, 0.02, 0.03, 0.04, and 0.05, are synthesized using two distinct routes: conventional synthesis process at ambient pressure (CSP), and high…
The compression of SH$_2$ and its subsequent decomposition to SH$_3$, presumably in a cubic Im$\overline{3}$m structure, has lead to the discovery of conventional superconductivity with the highest measured and confirmed $T_c$ to date, 203…