[seminar] [DANAS] Predrag Lazic, 30.04. (srijeda) 11h (c.t), Predavaona I krila IRB

[Kornelija Passek-Kumericki]

                       SEMINAR  TEORIJSKE  FIZIKE


   (Zajednički seminari Fizičkog odsjeka PMF-a te Zavoda za teorijsku
    fiziku i Zavoda za eksperimentalnu fiziku IRB-a)

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Graphene on Ir(111), adsorption and intercalation of Cs and Eu atoms


Predrag Lazic
  ZTF, IRB

   Datum:  srijeda, 30. travnja 2014.
   Vrijeme: 11 sati c.t.
   Mjesto: IRB, predavaona I krila


Sazetak:

Experimental and theoretical study of Cs and Eu atoms adsorption on graphene on 
Ir(111) will be presented. Graphene on Ir(111) surface is an interesting system 
because graphene has almost pristine electronic structure in it due to its weak 
bonding character to iridum surface. The bonding is almost exclusively of the 
van der Waals type. However adding Cs or Eu atoms
graphene gets doped and and nature of binding changes - especially in the case 
when the atoms intercalate. Density Functional Theory calculations with 
standard semilocal functionals (GGA) - fail to reproduce experimental findings 
even qualitatively. Only when the newly developed nonlocal correlation
functional is used (vdW-DF) which includes van der Waals interactions, are
the calculations in agreement with experiment, revelaing the mechanism of 
graphene delamination and relamination which is crucial for intercalation and 
trapping of atoms under the graphene.


Voditeljica seminara: Kornelija Passek-Kumericki (passek at irb dot hr)
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