Related papers: A First-principles Prediction of Two-Dimensional S…

The maximum value of the superconducting transition temperature Tc due to a phonon-mediated interaction was estimated by Cohen and Anderson in 1972 from ab initio considerations, and found to be about 10 K. McMillan's semi empirical…

Topological phononic insulators are the counterpart of three-dimensional quantum spin Hall insulators in phononic systems and, as such, their topological surfaces are characterized by Dirac cone-shaped gapless edge states arising as a…

We design, from first principles calculations, a novel family of thallium halide-based compounds as candidates for new high temperature superconductors, whose superconductivity is mediated by the recently proposed mechanism of non-local…

If history teaches us anything, it is that the next breakthrough in superconductivity will not be the result of surveying the history of past breakthroughs, as they have almost always been a matter of serendipity resulting from undirected…

The intercalated graphite superconductor CaC6 with Tc ~ 11.5 K has been synthesized and characterized with magnetoresistance measurements. Above the transition, the resistivity follows a T^2 dependence up to 50 K, which suggests Fermi…

The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indicate the boron-doped diamond is a phonon mediated…

A new layered compound LaOTlF2 is designed and investigated using first-principles calculations in this work. The parent compound is an insulator with an indirect band gap of 2.65 eV. Electron-doping of the parent compound makes the…

The hydrostatic pressure effect on the newly discovered superconductor MgB2 has been determined. The transition temperature Tc was found to decrease linearly at a large rate of -1.6 K/GPa, in good quantitative agreement with the ensuing…

First-principles calculations are performed for electronic structures of two high pressure phases of solid selenium, $\beta$-Po and bcc. Our calculation reproduces well the pressure-induced phase transition from $\beta$-Po to bcc observed…

With a generic model for the electron-phonon spectral density, two simple expressions are derived to estimate the transition temperature and gap-to-temperature ratio in conventional superconductors. They entail that on average the numerical…

Inherent properties of superconducting Bi2Sr2CaCu2O8+x films, such as the high superconducting transition temperature Tc, efficient Josephson coupling between neighboring CuO layers, and fast quasiparticle relaxation dynamics, make them a…

The recent discovery of superconductivity at ~39 K in MgB2, by Nagamatsu et al. establishes this simple binary compound as having the highest bulk superconducting transition temperature, Tc, of any non-copper-oxide material. Much of the…

We used our developed AI search engine~(InvDesFlow) to perform extensive investigations regarding ambient stable superconducting hydrides. A cubic structure Li$_2$AuH$_6$ with Au-H octahedral motifs is identified to be a candidate. After…

We characterize the superconducting state of phase pure polycrystalline samples of the new layered superconductor MgB$_2$ by specific heat measurements in magnetic fields up to 9 T. The characteristic jump at the superconducting transition…

It is demonstrated that the transition temperature (Tc) of high-Tc superconductors is determined by their layered crystal structure, bond lengths, valency properties of the ions, and Coulomb coupling between electronic bands in adjacent,…

The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely…

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…

Using ultrafast optical techniques, we probe the hole-doping dependence of the electron-boson coupling constant $\lambda$ in Bi$_{2}$Sr$_{2}$CaCu$_{2}$O$_{8+\delta}$. In the overdoped region, we observe a correlation between ($\lambda$) and…

Using electronic structure calculation we study the superconducting properties of the theoretically-devised superconductor MS1-LiB (LiB). We calculate the electron-phonon coupling ($\lambda=0.62$) and the phonon frequency logarithmic…

Understanding the thermal properties of two-dimensional (2D) materials and devices is essential for thermal management of 2D applications. Here we perform molecular dynamics simulations to evaluate both the specific heat of $MoS_{2}$ as…