28 citations · 47 across the 16 of their papers we have counts for
6 papers · 1 filter
Electron-phonon coupling in magnetic materials using the local spin density approximation
Á. A. Carrasco Álvarez, M. Giantomassi, J. Lihm +4
Magnetic materials are crucial for manipulating electron spin and magnetic fields, enabling applications in data storage, spintronics, charge transport, and energy conversion, whil…
Spectroscopy and transport of nonpolarons in silicon and germanium: the influence of doping and temperature
Raveena Gupta, Joao Abreu, Matthieu J. Verstraete
We perform a first-principles investigation of electron-phonon interactions in silicon and germanium, uncovering distinct non-polaronic spectral and transport fingerprints in these…
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
Matthieu J. Verstraete, Joao Abreu, Guillaume E. Allemand +71
Abinit is a widely used scientific software package implementing density functional theory and many related functionalities for excited states and response properties. This paper p…
Thermal Conductivity Of Monolayer Hexagonal Boron Nitride: Four-Phonon Scattering And Quantum Sampling Effects
José Pedro Alvarinhas Batista, Matthieu J. Verstraete, Aloïs Castellano
Monolayer hexagonal boron nitride is a prototypical planar 2-dimensional system material and has been the subject of many investigations of its exceptional vibrational, spectroscop…
First-principles calculations of transport coefficients in Weyl semimetal TaAs
Guillaume E. Allemand, Matteo Giantomassi, Matthieu J. Verstraete
We study charge and heat transport from first-principles in the topological Weyl semimetal TaAs. Electron-phonon coupling matrix elements are calculated using density functional pe…
Fluctuation-dissipation and virtual processes in interacting phonon systems
Aloïs Castellano, J. P. Alvarinhas Batista, Matthieu J. Verstraete
Phonon-phonon interactions are fundamental to understanding a wide range of material properties, including thermal transport and vibrational spectra. In conventional perturbative a…