171 citations · 663 across the 32 of their papers we have counts for
9 papers · 1 filter
Ab initio self-consistent many-body theory of polarons at all couplings
Jon Lafuente-Bartolome, Chao Lian, Weng Hong Sio +3
We present a theoretical framework to describe polarons from first principles within a many-body Green's function formalism. Starting from a general electron-phonon Hamiltonian, we…
Unified approach to polarons and phonon-induced band structure renormalization
Jon Lafuente-Bartolome, Chao Lian, Weng Hong Sio +3
Ab initio calculations of the phonon-induced band structure renormalization are currently based on the perturbative Allen-Heine theory and its many-body generalizations. These appr…
Symmetric Helmholtz Fermi-surface harmonics for an optimal representation of anisotropic quantities on the Fermi surface: Application to the electron-phonon problem
Jon Lafuente-Bartolome, Idoia G. Gurtubay, Asier Eiguren
We outline a numerical procedure to incorporate the crystal symmetries in the Helmholtz Fermi-surface harmonics basis set, which are the solutions of the Helmholtz equation defined…
Emergence of large non-adiabatic effects induced by the electron-phonon interaction on the complex vibrational quasi-particle spectrum of the doped monolayer MoS
Peio Garcia-Goiricelaya, Jon Lafuente-Bartolome, Idoia G. Gurtubay +1
We present a comprehensive first-principles analysis of the non-adiabatic effects due to the electron-phonon interaction on the vibrational spectrum of the electron-doped monolayer…
Ab-initio analysis of plasmon dispersion in sodium under pressure
J. Ibañez-Azpiroz, B. Rousseau, A. Eiguren +1
We present an ab-initio study of the electronic response function of sodium in its 5 known metallic phases from 0 to 180 GPa at room temperature. The considered formalism is based…
Relativistic effects and fully spin-polarized Fermi surface at the Tl/Si(111) surface
Julen Ibañez-Azpiroz, Asier Eiguren, Aitor Bergara
We present a detailed analysis of the relativistic electronic structure and the momentum dependent spin-polarization of the Tl/Si(111) surface. Our first principle calculations rev…