3 papers
cond-mat.mtrl-sci2025
The unexpected dewetting during growth of silicene flakes with dendritic pyramids
Kejian Wang, Mathieu Abel, Filippo Fabbri +6
Silicene growth on graphene has emerged as a novel method for fabricating silicon-based van der Waals heterostructures. However, the silicene flakes produced in this manner are the…
physics.chem-ph2023
density matrix to estimate self-consistent total energy in solids
Adam Hassan Denawi, Fabien Bruneval, Marc Torrent +1
The approximation is a well-established method for calculating ionization potentials and electron affinities in solids and molecules. For numerous years, obtaining self-consis…
cond-mat.mtrl-sci2022
Metal-organic kagome systems as candidates to study spin liquids, spin ice or the quantum anomalous Hall effect
Adam Hassan Denawi, Xavier Bouju, Mathieu Abel +2
We present the results of first-principle calculations using the Vienna Ab-initio Simulation Package (VASP) for a new class of organometallics labeled TM3C6O6 (TM =Sc, Ti, V, Cr, F…