Related papers: Electronic structure, electron-phonon coupling and…
The recent discovery of superconductivity in oxypnictides with the critical temperature (TC) higher than McMillan limit of 39 K (the theoretical maximum predicted by Bardeen-Cooper-Schrieffer (BCS) theory) has generated great excitement.…
Recently, a series of noncentrosymmetric superconductors has been a subject of considerable interest since the discovery of superconductivity in CePt_3Si. In noncentrosymmetric materials, the degeneracy of bands is lifted in the presence of…
In order to understand the unexpected superconducting behavior of MgB$_2$ compound we have made electronic structure calculations for MgB$_2$ and closely related systems. Our calculated Debye temperature from the elastic properties indicate…
Combining crystal structure search and first-principles calculations, we report a series of two-dimensional (2D) metal borides including orthorhombic (ort-) MB6 (M=Mg, Ca) and hexagonal (hex-) MB6 (M=Mg, Ca, Sc, Ti, Sr, Y). Then, we…
Spin-phonon coupling originated from spin-lattice correlation depends upon different exchange interactions in transition metal oxides containing 3d magnetic ions. Spin-lattice coupling can influence the coupling mechanism in magnetoelectric…
The interplay of electron-electron and electron-phonon interactions is studied analytically in the Kondo regime. A Holstein electron-phonon coupling is shown to produce a weakening of the gate voltage dependence of the Kondo temperature and…
In this article we quantify the possible effects of the breakdown of Migdal's theorem on the electron-phonon (e-p) coupling constant, on the critical temperature and on the superconducting gap by examining different kinds of superconducting…
We study bipolaron formation and bipolaronic superconductivity on a square lattice, where electrons couple to both local Holstein phonons via on-site charge density and nonlocal bond Su-Schrieffer-Heeger phonons via modulation of hopping…
Spin-phonon interactions are central to many interesting phenomena, ranging from superconductivity to magnetoelectric effects. Yet, they are believed to have a negligible influence on the structural behavior of most materials. For example,…
The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…
1$T$-TaS$_2$ is the only insulating transition-metal dichalcogenide (TMD) with an odd number of electrons per unit cell. This insulating state is non-magnetic, making it a potential spin-liquid candidate. The unusual electronic behavior…
Superconductivity mediated by phonons is typically conventional, exhibiting a momentum-independent s-wave pairing function, due to the isotropic interactions between electrons and phonons along different crystalline directions. Here, by…
We present a brief review of some recent work on the problem of highest achievable temperature of superconducting transition $T_c$ in electron-phonon systems. The discovery of record-breaking values of $T_c$ in quite a number of hydrides…
The theory of the interaction of electrons with acoustic phonons in multilayer nitride-based AlN/GaN nanostructures was developed for the first time at $T\geqslant 0$ using the method of finite-temperature Green's functions and Dyson…
By applying a quantum Monte Carlo procedure based on the loop algorithm we investigate thermodynamic properties of the two-dimensional antiferromagnetic S=1/2 Heisenberg model coupled to Einstein phonons on the bonds. The temperature…
The absence of inversion symmetry leads to a strong spin-orbit splitting of the upper valence band of semiconducting single layer transition metal dichalchogenides such as MoS$_2$ or WS$_2$. This permits a direct comparison of the…
The large variations of T$_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders…
The coupling of electrons to phonons (electron-phonon coupling) is crucial for the existence of various phases of matter, in particular superconductivity and density waves. Here, we devise a theory that incorporates the quantum geometry of…
We present a workflow that iteratively combines \textit{ab-initio} calculations with a machine-learning (ML) guided search for superconducting compounds with both dynamical stability and instability from imaginary phonon modes, the latter…
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…