2.4k citations
Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.
- Max Planck SocietyDE178 papers
- Freie Universität BerlinDE80 papers
- Centre National de la Recherche ScientifiqueFR67 papers
- University of the Basque CountryES53 papers
- Technische Universität BerlinDE51 papers
- Goethe University FrankfurtDE42 papers
- Deutsches Elektronen-Synchrotron DESYDE39 papers
- Humboldt-Universität zu BerlinDE37 papers
- Material Physics CenterES36 papers
- Max Planck Institute for the Structure and Dynamics of MatterDE35 papers
- Technical University of MunichDE31 papers
- Lawrence Berkeley National LaboratoryUS30 papers
14 papers · 2 filters
Assessment of correlation energies based on the random-phase approximation
Joachim Paier, Xinguo Ren, Patrick Rinke +4
The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought Kohn-Sham (KS) density functional theory one step cl…
EELS study of the epitaxial graphene/Ni(111) and graphene/Au/Ni(111) systems
A. V. Generalov, Yu. S. Dedkov
We have performed electron energy-loss spectroscopy (EELS) studies of Ni(111), graphene/Ni(111), and the graphene/Au/Ni(111) intercalation-like system at different primary electron…
Structural and electronic properties of the graphene/Al/Ni(111) intercalation-like system
E. N. Voloshina, A. Generalov, M. Weser +3
Decoupling of the graphene layer from the ferromagnetic substrate via intercalation of sp metal has recently been proposed as an effective way to realize single-layer graphene-base…
Hydrogen bonds and van der Waals forces in ice at ambient and high pressures
Biswajit Santra, Jiří Klimeš, Dario Alfè +5
The first principles approaches, density functional theory (DFT) and quantum Monte Carlo, have been used to examine the balance between van der Waals (vdW) forces and hydrogen (H)…
On the stability of "non-magic" endohedrally doped Si clusters: A first-principles sampling study of MSi16^+ (M =Ti,V,Cr)
Dennis Palagin, Matthias Gramzow, Karsten Reuter
Density-functional theory is used to study the geometric and electronic structure of cationic Si16^+ clusters with a Ti, V or Cr dopant atom. Through unbiased global geometry optim…
Highly p-doped graphene obtained by fluorine intercalation
Andrew L. Walter, Ki-Joon Jeon, Aaron Bostwick +8
We present a method for decoupling epitaxial graphene grown on SiC(0001) by intercalation of a layer of fluorine at the interface. The fluorine atoms do not enter into a covalent b…
Electron-hole pairs during the adsorption dynamics of O2 on Pd(100) - Exciting or not?
Jörg Meyer, Karsten Reuter
During the exothermic adsorption of molecules at solid surfaces dissipation of the released energy occurs via the excitation of electronic and phononic degrees of freedom. For meta…
Ultrafast transport of laser-excited spin polarized carriers in Au/Fe/MgO(001)
Alexey Melnikov, Ilya Razdolski, Tim O. Wehling +6
A time domain approach to probe hot carrier-induced spin dynamics is demonstrated. The experiments are performed in epitaxial Au/Fe/MgO(001), where spin-polarized hot carriers are…
On the physisorption of water on graphene: a CCSD(T) study
Elena Voloshina, Denis Usvyat, Martin Schuetz +2
The electronic structure of the zero-gap two-dimensional graphene has a charge neutrality point exactly at the Fermi level that limits the practical application of this material. T…
Ultrafast magnetization dynamics of Gd(0001): Bulk vs. surface
Muhammad Sultan, Alexey Melnikov, Uwe Bovensiepen
Ultrafast laser-induced demagnetization of Gd(0001) has been investigated by magneto-induced optical second harmonic generation and the magneto-optical Kerr effect which facilitate…
Towards an ideal graphene-based spin-filter
Yu. S. Dedkov, A. V. Generalov, E. N. Voloshina +1
The FeO(111)/graphene/Ni(111) trilayer is proposed to be used as an ideal spin-filtering sandwich where the half-metallic properties of magnetite are used. Thin magnetite l…
Stochastic quantum molecular dynamics for finite and extended systems
Heiko Appel, Massimiliano Di Ventra
We present a detailed account of the technical aspects of stochastic quantum molecular dynamics, an approach introduced recently by the authors [H. Appel and M. Di Ventra, Phys. Re…
Graphene on ferromagnetic surfaces and its functionalization with water and ammonia
S. Boettcher, M. Weser, Yu. S. Dedkov +3
Here we present an angle-resolved photoelectron spectroscopy (ARPES), x-ray absorption spec-troscopy (XAS), and density-functional theory (DFT) investigations of water and ammonia…
Electronic structure and magnetic properties of the graphene/Fe/Ni(111) intercalation-like system
M. Weser, E. N. Voloshina, K. Horn +1
The electronic structure and magnetic properties of the graphene/Fe/Ni(111) system were investigated via combination of the density functional theory calculations and electron-spec…