Related papers: Electronic structure, electron-phonon coupling and…
We have studied the lattice dynamics, electron-phonon coupling, and superconducting properties of $\alpha$-MoB$_2$, as a function of applied pressure, within the framework of density functional perturbation theory using a mixed-basis…
Electron-hole bound pairs, or excitons, are common excitations in semiconductors. They can spontaneously form and ``condense'' into a new insulating ground state -- the so-called excitonic insulator -- when the energy of electron-hole…
Using the Eliashberg theory of superconductivity we have examined several properties of a model in which electrons are coupled only to rattling phonon modes represented by a sharp peak in the electron-phonon coupling function. Our choice of…
We present the results of a crystal structure determination using neutron powder diffraction as well as the superconducting properties of the rare-earth sesquicarbide La2C3 (Tc ~ 13.4 K) by means of specific heat and upper critical field…
Looking for superconductors with higher transition temperature requires a guiding principle. In conventional superconductors, electrons pair up into Cooper pairs via the retarded attraction mediated by electron-phonon coupling.…
We present a study of the superconducting transition in MgB2 using the ab-initio pseudopotential density functional method and the fully anisotropic Eliashberg equation. Our study shows that the anisotropic Eliashberg equation, constructed…
The strength of the electron-phonon coupling parameter and its evolution throughout a solid's phase diagram often determines phenomena such as superconductivity, charge- and spin-density waves. Its experimental determination relies on the…
The unconventional superconductivity in the noncentrosymmetric LaNiC$_2$, and its evolution with pressure, is analyzed basing on the {\it ab initio} computations and the full Eliashberg formalism. First principles calculations of the…
Electronic structure of a novel superconducting noncentrosymmetric compound Mg10Ir19B16 was calculated using the Korringa-Kohn-Rostoker method. Electronic part of the electron-phonon coupling constant, McMillan-Hopfield parameters, were…
We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the high-T_c superconductor YBa_2Cu_3O_7 within the framework of density functional perturbation theory using a mixed-basis pseudopotential…
We present a comparison of electron-phonon interaction in NbB_2 and MgB_2, calculated using full-potential, density-functional-based methods in P6/mmm crystal structure. Our results, described in terms of (i) electronic structure, (ii)…
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…
The mechanism of spin-phonon coupling in high-T$_C$ copper oxides is explored from band calculations on La$_{(2-x)}$Sr$_x$CuO$_4$ and HgBa$_2$CuO$_4$ systems. The LMTO band calculations, based on the local density approximation, are made…
Electron-phonon coupling, being one of the most important parameters governing the material evolution after ultrafast energy deposition, yet remains the most unexplored one. In this work, we applied the dynamical coupling approach to…
The possibility of non-s-wave superconductivity induced by phonons is investigated using a simple model that is inspired by Sr$_2$RuO$_4$. The model assumes a two-dimensional electronic structure, a two-dimensional spin-fluctuation…
Interaction between electrons and phonons in solids is a key effect defining physical properties of materials such as electrical and thermal conductivity. In transitional metal dichalcogenides (TMDCs) the electron-phonon coupling results in…
Rutile TiO2 is a paradigmatic transition metal oxide with applications in optics, electronics, photocatalysis, etc., that are subject to pervasive electron-phonon interaction. To understand how energies of its electronic bands, and in…
In conventional superconductors, the electron-phonon coupling plays a dominant role in pairing the electrons and generating superconductivity. In high temperature cuprate superconductors, the existence of the electron coupling with phonons…
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…
Superconductivity in Mo3Sb7 is analyzed using the combined electronic structure and phonon calculations, and the electron--phonon coupling constant \lambda_{ph}=0.54 is determined from first principles. This value explains the experimental…