[seminar] 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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