相关论文: Superconducting Chevrel phase PbMo$_{6}$S$_{8}$ fr…

To understand superconductivity in Chevrel phase compounds and guide the search for interesting properties in materials created with Chevrel phase molecules as building blocks, we use ab-initio methods to study the properties of single…

Unconventional superconductivity in the Chevrel phase offers a wide structural aspect to understand the superconducting ground state. A detailed investigation on the superconducting properties of Re based pseudobinary telluride Chevrel…

We have measured the resistivity of PrFeAsO$_{1-x}$F$_y$ samples over a wide range of temperature in order to elucidate the role of electron-phonon interaction on normal- and superconducting-state properties. The linear T dependence of…

Topological semimetal, a novel state of quantum matter hosting exotic emergent quantum phenomena dictated by the non-trivial band topology, has emerged as a new frontier in condensed-matter physics. Very recently, a coexistence of triply…

We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure, and electron-phonon-mediated superconducting properties at…

We report $ab~initio$ calculations of the electronic and vibrational properties in CuPb$_9$(PO$_4$)$_6$O, including the electron-phonon coupling strength via strong-coupling Migdal-Eliashberg theory. We verify the presence of appealing flat…

Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…

We investigate the thermoelectric properties of some semiconducting Chevrel phases. Band structure calculations are used to compute thermopowers and to estimate of the effects of alloying and disorder on carrier mobility. Alloying on the Mo…

We present the first scanning tunneling spectroscopy study on the Chevrel phase PbMo6S8, an extreme type II superconductor with a coherence length only slightly larger than in high-Tc cuprates. Tunneling spectra measured on atomically flat…

Rare-earth superhydrides have attracted considerable attention because of their high critical superconducting temperature under extreme pressures. They are known to have localized valence electrons, implying strong electronic correlations.…

We have studied the electronic structure of two Chevrel-phase compounds, Mo$_6$Se$_{7.5}$ and Sn$_{1.2}$Mo$_6$Se$_{7.5}$, by combining photoemission spectroscopy and band-structure calculations. Core-level spectra taken with x-ray…

SrPt3P has recently been reported to exhibit superconductivity with Tc = 8.4 K. To explore its superconducting mechanism, we have performed electron and phonon band calculations based on the density functional theory, and found that the…

The quasi-one-dimensional Chevrel phases, A$_2$Mo$_6$Se$_6$ (A = Tl, In, K, Rb, Cs), are of interest due to their atypical electronic properties. The Tl and In analogues undergo a superconducting transition whereas the alkali metal…

Motivated by the observation of superconductivity in SrTiO$_3$ and Bi, we analyze phonon-mediated superconductivity in three-dimensional systems at low carrier density, when the chemical potential $\mu$ (equal to Fermi energy at $T=0$) is…

Inspired by the synthesis of XB3C3 (X= Sr, La) compounds in the bipartite sodalite clathrate structure, density functional theory (DFT) calculations are performed on members of this family containing up to two different metal atoms. A…

The density functional theory for superconductors developed in the preceding article [cond-mat/0408685] is applied to the calculation of superconducting properties of several elemental metals. In particular, we present results for the…

More than a century after discovery, the theory of conventional superconductivity remains incomplete. While the importance of electron-phonon coupling is understood, a controlled first-principles treatment of Coulomb interaction is lacking.…

Sub-Kelvin scanning tunnelling spectroscopy in the Chevrel Phases SnMo6S8 and PbMo6S8 reveals two distinct superconducting gaps with Delta_1 = 3 meV, Delta_2 ~ 1.0 meV and Delta_1 = 3.1 meV, Delta_2 ~ 1.4 meV respectively. The gap…

We present a comprehensive computational investigation of electron-phonon interactions in MXH$_3$ hydride compounds, where $M$ represents alkali and post-transition metals, and $X$ denotes 3$d$, 4$d$, and 5$d$ transition metals. Our density…

The effective attractive interaction between electrons, mediated by electron-phonon coupling, is a well-established mechanism of conventional superconductivity. In metals exhibiting a Fermi surface, the critical temperature of…