Publication
Correlations and renormalization of the electron-phonon coupling in the honeycomb Hubbard ladder and superconductivity in polyacene
Related publications (136)
Hubbard U through polaronic defect states
Alfredo Pasquarello, Stefano Falletta
Since the preliminary work of Anisimov and co-workers, the Hubbard corrected DFT+U functional has been used for predicting properties of correlated materials by applying on-site effective Coulomb interactions to specific orbitals. However, the determinatio ...
NATURE PORTFOLIO2022Ab Initio Electron-Phonon Interactions in Correlated Electron Systems
Nicola Marzari, Iurii Timrov, Matteo Cococcioni, Andrea Floris
Electron-phonon (e-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e- ...
AMER PHYSICAL SOC2021Evidence of a coupled electron-phonon liquid in NbGe2
Mathieu François Padlewski, Philip Johannes Walter Moll, Matthias Carsten Putzke, Hao Yang
Whereas electron-phonon scattering relaxes the electron's momentum in metals, a perpetual exchange of momentum between phonons and electrons may conserve total momentum and lead to a coupled electron-phonon liquid. Such a phase of matter could be a platfor ...
NATURE PORTFOLIO2021Visualizing the multifractal wave functions of a disordered two-dimensional electron gas
The wave functions of a disordered two-dimensional electron gas at the quantum-critical Anderson transition are predicted to exhibit multifractal scaling in their real space amplitude. We experimentally investigate the appearance of these characteristics i ...
AMER PHYSICAL SOC2021Vertex function compliant with the Ward identity for quasiparticle self-consistent calculations beyond GW
Alfredo Pasquarello, Aleksei Tal, Wei Chen
We extend the quasiparticle self-consistent approach beyond the GW approximation by using a range separated vertex function. The developed approach yields band gaps, dielectric constants, and band positions with an accuracy similar to highest-level electro ...
2021Profiling novel high-conductivity 2D semiconductors
Nicola Marzari, Marco Gibertini, Thibault Daniel Pierre Sohier
When complex mechanisms are involved, pinpointing high-performance materials within large databases is a major challenge in materials discovery. We focus here on phonon-limited conductivities, and study 2D semiconductors doped by field effects. Using state ...
IOP PUBLISHING LTD2021Electrons leave the flatland: out-of-plane charge dynamics in layered materials
The goal of this thesis is to explore the "neglected" third dimension of layered materials, by studying the interlayer charge dynamics through dc conductivity, optical spectroscopy and ab-initio calculations. This project was designed to respond to the gro ...
EPFL2020Light-Induced Renormalization of the Dirac Quasiparticles in the Nodal-Line Semimetal ZrSiSe
Majed Chergui, Marco Grioni, Arnaud Magrez, Helmuth Berger, Philippe Bugnon, Alberto Crepaldi, Luca Moreschini, Simon Karl Moser, Gianmarco Gatti, Serhii Polishchuk
In nodal-line semimetals, linearly dispersing states form Dirac loops in the reciprocal space with a high degree of electron-hole symmetry and a reduced density of states near the Fermi level. The result is reduced electronic screening and enhanced correla ...
2020Electron-phonon-driven three-dimensional metallicity in an insulating cuprate
Fabrizio Carbone, Edoardo Baldini, Cédric Weber
The role of the crystal lattice for the electronic properties of cuprates and other high-temperature superconductors remains controversial despite decades of theoretical and experimental efforts. While the paradigm of strong electronic correlations suggest ...
NATL ACAD SCIENCES2020Dynamics of excited interlayer states in hexagonal boron nitride monolayers
Hexagonal boron nitride () is the isoelectronic but insulating counterpart of graphene. Like graphene it can easily be grown as high-quality nanotubes or as single layers on metal surfaces. Both materials can be exfoliated or transferred after single-layer ...
2020