Related papers: Efficient First-Principles Framework for Overdampe…
Solid-state elastic-wave phonons are a promising platform for a wide range of quantum information applications. An outstanding challenge and enabling capability in harnessing phonons for quantum information processing is achieving strong…
An underestimation of the fundamental band gap values by the density functional theory within the local density approximation and associated approaches is a well-known challenge of ab-initio electronic structure computations. Motivated by…
Through the use of perturbation theory, in this work we develop a method which allows for a substantial reduction in the size of the plane-wave basis used in density-functional calculations. This method may be used for both pseudopotentials…
We propose an electron-phonon parameterization which reliably reproduces the geometry and harmonic frequencies of a real system. With respect to standard electron-phonon models, it adds a "double-counting" correction, which takes into…
The interaction between phonons and high-energy excitations of electronic origin in cuprates and their role in the superconducting mechanisms is still controversial. Here we use coherent vibrational time-domain spectroscopy together with…
The quasiparticle density observed in low-temperature superconducting circuits is several orders of magnitude larger than the value expected at thermal equilibrium. The tunneling of this excess of quasiparticles across Josephson junctions…
We address the problem of resistivity saturation observed in materials such as the A-15 compounds. To do so, we calculate the resistivity for the Hubbard-Holstein model in infinite spatial dimensions to second order in on-site repulsion…
In one dimension the coupling of electrons to phonons leads to a transition from a metallic to a Peierls distorted insulated state if the coupling exceeds a critical value. On the other hand, in two dimensions the electron-phonon…
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via multiphonon emission. Parameters in the theory, including…
We present the results of Quantum Monte Carlo calculations for a two dimensional frustrated Hubbard model coupled to bond phonons. The model is known to have a d-wave superconducting ground state in the limit of large phonon frequency for…
There has been a long-standing debate about the mechanism of the unusual superconductivity in alkali-intercalated fulleride superconductors. In this work, using high-resolution angle-resolved photoemission spectroscopy, we systematically…
The recent discovery and subsequent developments of FeAs-based superconductors have presented novel challenges and opportunities in the quest for superconducting mechanisms in correlated-electron systems. Central issues of ongoing studies…
We present the first fully $ab\;initio$ microscopic description of cubic and tetragonal Nb$_3$Sn. We compute the anharmonic free energy surface, phonon spectra, and solve the full-bandwidth anisotropic Migdal-Eliashberg equations for the…
Polar optical phonons are studied in the framework of the dielectric continuum approach for a prototypical quantum-dot/quantum-well (QD/QW) heterostructure, including the derivation of the electron-phonon interaction Hamiltonian and a…
Electron-phonon interactions (EPIs) represent a fundamental cornerstone of condensed matter physics, commanding persistent attention due to their pivotal role in driving novel quantum phenomena within low-dimensional materials. Here, we…
Knowledge of lattice anharmonicity is essential to elucidate distinctive thermal properties in crystalline solids. Yet, accurate \textit{ab initio} investigations of lattice anharmonicity encounter difficulties owing to the cumbersome…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
The interactions between elementary excitations such as phonons, plasmons, magnons, or particle-hole pairs, drive emergent functionalities and electronic instabilities such as multiferroic behaviour, anomalous thermoelectric properties,…
We review our recent development of a first-principles lattice dynamics method that can treat anharmonic effects nonperturbatively. The method is based on the self-consistent phonon theory and temperature-dependent phonon frequencies can be…
Electronic structure of recently discovered isotypic ternary borides Li$_2$Pd$_3$B and Li$_2$Pt$_3$B, with noncentrosymmetric crystal structures, is studied with a view to understanding their superconducting properties. Estimates of the…