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SUMMARY:The Role of Quantum Confinement and  Dimensionality on Defects at 
 the Nanoscale
DTSTART:20100429T150000
DTSTAMP:20260925T120607Z
UID:c60e8c6b8ffdacdc9edf5c8697fa72a23dbe33a1bce0ec0911fd88b5
CATEGORIES:Conferences - Seminars
DESCRIPTION:James R. Chelikowsky\nOne of the most challenging issues in ma
 terials physics is to predict the properties of defects in matter.  Such d
 efects play an important role in functionalizing materials for use in elec
 tronic devices.  As the length scale for such devices approaches the nano-
 regime\, the interplay of dimensionality\, quantum confinement and defects
  can be complex. In particular\, the usual rules for describing defects in
  bulk may be inoperative\, e.g.\, a shallow defect level in the bulk may b
 ecome a deep level at the nanoscale.    The development of theoretical met
 hods to describe the properties of nanoscale defects is a formidable chall
 enge. Nanoscale systems may contain numerous electronic and nuclear degree
 s of freedom\, and often possess little symmetry.  My presentation will ce
 nter on recent advances in this area based on new algorithms\, which allow
  a solution of the Kohn-Sham eigenvalue problem without any explicit diago
 nalization.  I will apply these algorithms to nanoscale systems\, and pres
 ent calculations for the structural and electronic properties of dopants (
 Li\, Zn\, B\, P\, Mn...) in semiconductor (Si\, InP\, ZnO\, CdSe\, ...) na
 nostructures.  I will vary the dimensionality of these nanostructures\, by
  considering nanocrystals\, nanowires and nanofilms.
LOCATION:Batiment Physique salle  PHH331 (3ème étage)
STATUS:CONFIRMED
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