Related papers: $d$-wave superconductivity as a model for diboride…
Superconducting transition temperatures ($T_c$'s) of MgB$_2$, Mg$_{1-x}$Ca$_x$B$_2$, Mg$_{1-x}$Na$_x$B$_2$, and Mg$_{1-x}$Al$_x$B$_2$ are studied within the McMillan approximation using electronic and structural information obtained from…
Topological superconductivity with Majorana bound states, which are critical to implement nonabelian quantum computation, may be realized in three-dimensional semimetals with nontrivial topological feature, when superconducting transition…
Simultaneous high pressure x-ray diffraction and electrical resistance measurements have been carried out on a PbO type {\alpha}-FeSe0.92 compound to a pressure of 44 GPa and temperatures down to 4 K using designer diamond anvils at…
Recent predictions of metastable high-temperature hydride superconductors give hope that superconductivity at ambient conditions is within reach. In this work, we predict RbPH$_3$ as a new compound with a superconducting critical…
We report on syntheses and electron transport properties of polycrystalline samples of diborides (AB2) with different transition metals atoms (A=Zr,Nb,Ta). The temperature dependence of resistivity, \rho(T), and ac susceptibility of these…
The Dirac semimetal PdTe$_2$ was recently reported to be a type-I superconductor ($T_c = $1.64 K, $\mu_0 H_c (0) = 13.6$ mT) with unusual superconductivity of the surface sheath. We here report a high-pressure study, $p \leq 2.5$ GPa, of…
This work reports superconductivity studies in the intermetallic Ti$_{0.85}$Pd$_{0.15}$ performed in normal conditions and under hydrostatic pressure. The crystal structure of the compound has a body centered cubic at room temperature and…
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…
High-pressure electrical resistivity measurements reveal that the mechanical deformation of ultra-hard WB2 during compression induces superconductivity above 50 GPa with a maximum superconducting critical temperature, Tc of 17 K at 90 GPa.…
We have investigated the pressure-induced phase transition and superconducting properties of niobium disulfide (NbS$_2$) based on the density functional theory. The structures of NbS$_2$ at pressures from 0 to 200 GPa were predicted using…
Identifying and understanding non-BCS superconductivity remains a central challenge in condensed-matter physics. Here we focus on the Sc$_{6}$MTe$_{2}$ family (M =d-electron metal), which provides a unique platform of isostructural…
Although copper and bismuth do not form any compounds at ambient conditions, two intermetallics, CuBi and Cu$_{11}$Bi$_7$, were recently synthesized at high pressures. Here we report on the discovery of additional copper-bismuth phases at…
Studies of the behaviour of solids at ultra-high pressures, those beyond 200 GPa, contribute to our fundamental understanding of materials properties and allow an insight into the processes happening at such extreme conditions relevant for…
PdSb2 is a candidate for hosting 6-fold-degenerate exotic fermions (beyond Dirac and Weyl fermions).The nontrivial band crossing protected by the nonsymmorphic symmetry plays a crucial role in physical properties. We have grown high-quality…
We investigate the high-pressure behaviour of beryllium, magnesium and calcium difluorides using ab initio random structure searching and density functional theory (DFT) calculations, over the pressure range 0-70 GPa. Beryllium fluoride…
Based on electronic structure calculations, we have found that noble metal diborides, AgB2 and AuB2, are potential candidates for conventional BCS-type high temperature superconductors. B 2p density of states dominates at the Fermi level in…
The elasticity, dynamic properties, and superconductivity of $\alpha$, $\omega$, and $\beta$ Zr are investigated by using first-principles methods. Our calculated elastic constants, elastic moduli, and Debye temperatures of $\alpha$ and…
The emergence of a second dome in the superconducting phase through pressure-driven manipulation of crystal structures in materials has attracted considerable attention. Transition metal chalcogenides (TMCs) represent a highly promising…
Unusual metallic states involving breakdown of the standard Fermi-liquid picture of long-lived quasiparticles in well-defined band states emerge at low temperatures near correlation-driven Mott transitions. Prominent examples are…
Topological transition metal dichalcogenides (TMDCs) have attracted much attention due to its potential applications in spintronics and quantum computations. In this work, we systematically investigate the structural and electronic…