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15 papers · 2 filters
Chemical Bonding of Transition-metal Co Clusters with Graphene
Tomás Alonso-Lanza, Andrés Ayuela, Faustino Aguilera-Granja
We carried out density functional calculation to study Co clusters on graphene. We deposit several free isomers in different disposition respect to hexagonal lattice nodes,…
Changing character of electronic transitions in graphene: From single particle excitations to plasmons
Dino Novko, Vito Despoja, Marijan Šunjić
In this paper we clarify the nature of and electron excitations in pristine graphene. We clearly demonstrate the continuous transition from single particle to collective…
Electron-phonon relaxation and excited electron distribution in gallium nitride
V. P. Zhukov, V. G. Tyuterev, P. M. Echenique +1
We develop a theory of energy relaxation in semiconductors and insulators highly excited by the long-acting external irradiation. We derive the equation for the non-equilibrium dis…
Optical response of silver clusters and their hollow shells from Linear-Response TDDFT
Peter Koval, Federico Marchesin, Dietrich Foerster +1
We present a study of the optical response of compact and hollow icosahedral clusters containing up to 868 silver atoms by means of time-dependent density functional theory. We hav…
Termination-dependent surface properties in the giant-Rashba semiconductors BiTeX (X = Cl, Br, I)
Sebastian Fiedler, Thomas Bathon, Sergey V. Eremeev +7
The non-centrosymmetric semiconductors BiTeX (X = Cl, Br, I) show large Rashba-type spin-orbit splittings in their electronic structure making them candidate materials for spin-bas…
Femtosecond laser driven molecular dynamics on surfaces: Photodesorption of molecular oxygen from Ag(110)
Ivor Lončarić, M. Alducin, P. Saalfrank +1
We simulate the femtosecond laser induced desorption dynamics of a diatomic molecule from a metal surface by including the effect of the electron and phonon excitations created by…