712 citations · 1.3k across the 23 of their papers we have counts for
23 papers
Atomic-scale control of graphene magnetism using hydrogen atoms
H. González-Herrero, J. M. Gómez-Rodríguez, P. Mallet +7
Isolated hydrogen atoms absorbed on graphene are predicted to induce magnetic moments. Here we demonstrate that the adsorption of a single hydrogen atom on graphene induces a magne…
Critical analysis of the response function in low dimensional materials
Simon Divilov, Sara G. Mayo, Jose M. Soler +1
The presence of sharp peaks in the real part of the static dielectric response function are usually accepted as indication of charge or spin instabilities in a material. However, t…
Band Unfolding Made Simple
Sara G. Mayo, Felix Yndurain, Jose M. Soler
We present a simple view on band unfolding of the energy bands obtained from supercell calculations. It relies on the relationship between the local density of states in reciprocal…
Pressure induced magnetism in rotated graphene bilayers
Felix Yndurain
Using ab initio methods based on the density functional theory we show that rotated graphene bilayers at angles different from the magic ones can have an electronic spectrum simila…
Selective Hydrogen Adsoprtion in Graphene Rotated Bilayers
Ivan Brihuega, Felix Yndurain
The absorption energy of atomic hydrogen at rotated graphene bilayers is studied using ab initio methods based on the density functional theory including van der Waals interactions…
A theoretical study of the dynamics of atomic hydrogen on graphene bilayers
M. Moaied, J. A. Moreno, M. J. Caturla +2
We present a theoretical study of the dynamics of H atoms adsorbed on graphene bilayers with Bernal stacking. First, through extensive density functional theory calculations, inclu…