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34 papers · 1 filter
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,…
Generalized circuit model for coupled plasmonic systems
Felix Benz, Bart de Nijs, Christos Tserkezis +6
We develop an analytic circuit model for coupled plasmonic dimers separated by small gaps that provides a complete account of the optical resonance wavelength. Using a suitable equ…
Hybrid cluster-expansion and density-functional-theory approach for optical absorption in TiO2
O. Vänskä, M. Ljungberg, P. Springer +3
A combined approach of first-principles density-functional calculations and the systematic cluster-expansion scheme is presented. The dipole, quadrupole, and Coulomb matrix element…
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…
Optical absorption and conductivity in quasi-two-dimensional crystals from first principles: Application to graphene
Dino Novko, Marijan Šunjić, Vito Despoja
This paper gives a theoretical formulation of the electromagnetic response of the quasi-two-dimensional (Q2D) crystals suitable for investigation of optical activity and polariton…
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…