activity
20082020
most citedFully self-consistent and quasi-particle self-consistent for molecules

126 citations · 418 across the 10 of their papers we have counts for

collaborators

11 papers

cond-mat.mes-hall2020★ 18 cited

Crossed graphene nanoribbons as beam splitters and mirrors for electron quantum optics

Sofia Sanz, Pedro Brandimarte, Géza Giedke +2

We analyze theoretically 4-terminal electronic devices composed of two crossed graphene nanoribbons (GNRs) and show that they can function as beam splitters or mirrors. These featu…

cond-mat.mtrl-sci2020★ 3 cited

Theory of Spin-Dependent Electron Transfer Dynamics at Ar/Co(0001) and Ar/Fe(110) Interfaces

Moritz Müller, Pedro Miguel Echenique, Daniel Sánchez-Portal

Recent core-hole-clock experiments [Phys. Rev. Lett. , 086801 (2014)] showed that the spin dependence of electron injection times at Ar/Co(0001) and Ar/Fe(110) interf…

cond-mat.mes-hall2018★ 46 cited

Electronic Properties of Substitutionally Boron-doped Graphene Nanoribbons on a Au(111) Surface

Eduard Carbonell-Sanromà, Aran Garcia-Lekue, Martina Corso +11

High quality graphene nanoribbons (GNRs) grown by on-surface synthesis strategies with atomic precision can be controllably doped by inserting heteroatoms or chemical groups in the…

cond-mat.mes-hall2016★ 32 cited

A tunable electronic beam splitter realized with crossed graphene nanoribbons

Pedro Brandimarte, Mads Engelund, Nick Papior +3

Graphene nanoribbons (GNRs) are promising components in future nanoelectronics due to the large mobility of graphene electrons and their tunable electronic band gap in combination…

cond-mat.mtrl-sci2014★ 69 cited

Electronic stopping power in a narrow band gap semiconductor from first principles

Rafi Ullah, Fabiano Corsetti, Daniel Sánchez-Portal +1

The direction and impact parameter dependence of electronic stopping power, along with its velocity threshold behavior, is investigated in a prototypical small band gap semiconduct…

cond-mat.mtrl-sci2014★ 126 cited

Fully self-consistent and quasi-particle self-consistent for molecules

Peter Koval, Dietrich Foerster, Daniel Sánchez-Portal

Two self-consistent schemes involving Hedin's approximation are studied for a set of sixteen different atoms and small molecules. We compare results from the fully self-consis…

physics.atm-clus2013★ 12 cited

Dynamic screening and energy loss of antiprotons colliding with excited Al clusters

Natalia E. Koval, Daniel Sánchez-Portal, Andrey G. Borisov +1

We use time-dependent density functional theory to calculate the energy loss of an antiproton colliding with a small Al cluster previously excited. The velocity of the antiproton i…

cond-mat.mes-hall2012★ 106 cited

Universal Magnetic Properties of sp-type Defects in Covalently Functionalized Graphene

Elton J. G. Santos, Andrés Ayuela, Daniel Sánchez-Portal

Using density-functional calculations, we study the effect of sp-type defects created by different covalent functionalizations on the electronic and magnetic properties of grap…

cond-mat.mes-hall2011

Strain-Tunable Spin Moment in Ni-Doped Graphene

Elton J. G. Santos, Andrés Ayuela, Daniel Sánchez-Portal

Graphene, due to its exceptional properties, is a promising material for nanotechnology applications. In this context, the ability to tune the properties of graphene-based material…

cond-mat.mtrl-sci2010★ 6 cited

Substrate-Induced Cooperative Effects in Water Adsorption from Density Functional Calculations

Pepa Cabrera-Sanfelix, M. V. Fernández-Serra, A. Arnau +1

Density Functional Theory calculations are used to investigate the role of substrate-induced cooperative effects on the adsorption of water on a partially oxidized transition metal…

cond-mat.mes-hall2008

Switching On Magnetism in Ni-doped Graphene

E. J. G. Santos, A. Ayuela, S. B. Fagan +4

Magnetic properties of graphenic carbon nanostructures, relevant for future spintronic applications, depend crucially on doping and on the presence of defects. In this paper we stu…