2.2k citations · 6k across the 49 of their papers we have counts for
6 papers · 1 filter
Spontaneous interlayer compression in commensurately stacked van der Waals heterostructures
Nicholas A. Pike, Antoine Dewandre, François Chaltin +4
Interest in layered two dimensional materials, particularly stacked heterostructures of transition metal dichalcogenides, has led to the need for a better understanding of the stru…
Remote free-carrier screening to boost the mobility of Fröhlich-limited 2D semiconductors
Thibault Sohier, Marco Gibertini, Matthieu Verstraete
Van der Waals heterostructures provide a versatile tool to not only protect or control, but also enhance the properties of a 2D material. We use ab initio calculations and semi-ana…
Optical Signatures of Defect Centres in Transition Metal Dichalcogenide Monolayers
Pedro Miguel M. C. de Melo, Zeila Zanolli, Matthieu Jean Verstraete
Even the best quality 2D materials have non-negligible concentrations of vacancies and impurities. It is critical to understand and quantify how defects change intrinsic properties…
TB2J: a python package for computing magnetic interaction parameters
Xu He, Nicole Helbig, Matthieu J. Verstraete +1
We present TB2J, a Python package for the automatic computation of magnetic interactions, including exchange and Dzyaloshinskii-Moriya interactions, between atoms of magnetic cryst…
Phonon-limited electron mobility in Si, GaAs and GaP with exact treatment of dynamical quadrupoles
Guillaume Brunin, Henrique Pereira Coutada Miranda, Matteo Giantomassi +6
We describe a new approach to compute the electron-phonon self-energy and carrier mobilities in semiconductors. Our implementation does not require a localized basis set to interpo…
Electron-Phonon Beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids
Guillaume Brunin, Henrique Pereira Coutada Miranda, Matteo Giantomassi +6
We include the treatment of quadrupolar fields beyond the Fröhlich interaction in the first-principles electron-phonon vertex in semiconductors. Such quadrupolar fields induce long…