Related papers: Efficient ab initio Migdal-Eliashberg calculation …
The effect of biaxial strain on the superconducting properties of MgB2 thin films was studied by first-principles calculations. The stability analyses by phonon dispersions show that biaxial strain as much as 7% can be applied onto MgB2…
The reaction K- d -> pi Sigma N is investigated taking into account single scattering and the two-step process due to Kbar N -> pi Sigma rescattering. The influence of some common approximations are examined. It is found that the treatment…
Problems of finite-temperature quantum statistical mechanics can be formulated in terms of imaginary (Euclidean) -time Green's functions and self-energies. In the context of realistic Hamiltonians, the large energy scale of the Hamiltonian…
While being of persistent interest for the integration of lattice-matched laser devices with silicon circuits, the electronic structure of dilute nitride III/V-semiconductors has presented a challenge to ab initio computational approaches.…
The classical Bardeen-Cooper-Schrieffer and Eliashberg theories of the electron-phonon-mediated superconductivity are based on the Migdal theorem, which is an assumption that the energy of charge carriers, $k{_B}T{_F}$, significantly…
In this article, we propose an efficient method for sampling the relevant state space in condensed phase reactions. In the present method, the reaction is described by solving the electronic Schr\"{o}dinger equation for the solute atoms in…
Equilibrium molecular dynamics (EMD) simulations through Green-Kubo formula (GKF) have been widely used in the study of thermal conductivity of various materials. However, there exist controversial simulation results which have huge…
The two-time Green function method in quantum electrodynamics of high-Z few-electron atoms is described in detail. This method provides a simple procedure for deriving formulas for the energy shift of a single level and for the energies and…
The method is an extension to negative energies of a spectral integral equation method to solve the Schroedinger equation, developed previously for scattering applications. One important innovation is a re-scaling procedure in order to…
We use the diagram technique for spin operators to calculate Green's functions and observables of the spin-1/2 quantum Heisenberg antiferromagnet on a square lattice. The first corrections to the self-energy and interaction are taken into…
Using muon-spin rotation the pressure-induced superconductivity in the Bi-III phase of elemental Bismuth (transition temperature $T_{\rm c}\simeq7.05$ K) was investigated. The Ginzburg-Landau parameter $\kappa=\lambda/\xi=30(6)$ ($\lambda$…
We extend the two leading methods for the \emph{ab initio} computational descrip tion of phonon-mediated superconductors, namely Eliashberg theory and density fu nctional theory for superconductors (SCDFT), to include plasmonic effects.…
The magnon Hedin's equations are derived via the Schwinger functional derivative technique, and the resulting self-consistent Green's function method is used to calculate ground state spin patterns and magnetic structure factors for…
The modified Poisson-Boltzmann (MPB) equations are often used to describe equilibrium particle distribution of ionic systems. In this paper, we propose a fast algorithm to solve MPB equations with the self Green's function as the self…
Using low-temperature scanning tunneling microscopy and spectroscopy, we have studied the proximity effect at the interfaces between superconducting Pb island structures and metallic Pb-induced striped-incommensurate phase formed on a…
Eliashberg theory provides a theoretical framework for understanding the phenomenon of superconductivity when pairing between two electrons is mediated by phonons, and retardation effects are fully accounted for. However, when a direct…
Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the spin-orbit interaction (SOI) together with the spin…
We have evaluated the total carrier mass enhancement factor f_{t} for MgB_{2} from two independent experiments (specific heat and upper critical field). These experiments consistently show that f_{t} = 3.1\pm0.1. The unusually large f_{t}…
We perform a high-throughput computational search for novel phonon-mediated superconductors, starting from the Materials Cloud 3-dimensional structure database of experimentally known inorganic stoichiometric compounds. We first compute the…
We present a massively parallel algorithm for calculating the self-energy in self-consistent finite temperature perturbation theory for lattice models. The algorithm uses analytic functions with appropriate asymptotic high frequency…