Center for Excitonics
Seminar Series Announcement
The Center for Excitonics is an Energy Frontier Research Center funded by
the
U.S. Department of Energy, Office of Science and Office of Basic Energy
Sciences
The Center for Excitonics invites you to join us at the next seminar of
the
2009 series. Please forward this information on to others who might be
interested in attending this and other center seminars.
Title: Theoretical Spectroscopy of Low
Dimensional Systems
Presenter: Professor Angel Rubio
Organization: Nano-Bio Spectroscopy Group and ETSF
Scientific Development Centre, Universidad
del
Pais Vasco UPV/EHU and Centro Mixto
CSIC-UPV/EHU
Date: November 11, 2009
Time: 2:00 - 3:00pm
Place: Harvard University
Pfizer Hall - Mb-23
12 Oxford Street
Cambridge
Center URL:
http://www.rle.mit.edu/excitonics
Seminar URL:
http://www.rle.mit.edu/excitonics/rubio-111109.html
Abstract
There has been much progress in the synthesis and characterization of
nanostructures however, there remain immense challenges in understanding
their properties and interactions with external probes in order to realize
their tremendous potential for applications (molecular electronics,
nanoscale opto-electronic devices, light harvesting and emitting
nanostructures).
In this talk I will review the recent advances within density-functional
based schemes to describe the excite state properties of low-dimensional
structures (semiconducting nanostructures and biomolecules) including both
electron and ionic degrees of freedom. We will address both the linear and
non-linear response regimes. We will describe a new method to address the
electron-ion dynamics within the Ehrenfest scheme where no explicit
orthogonalization is necessary and we can increase of the time step while
keeping the system close to the Born-Oppenheimer surface. The method is
easily implemented and scales very well with the system size.
Applications to the excited state dynamics in some organic molecules will
be used as test cases to illustrate the performance of the approach. In
particular we will show the effect of electron-hole attraction in those
systems. Pros and cons of present functionals will be highlighted and
provide insight in how to overcome those limitations by using many-body
perturbation theory (i.e. GW based self-energy approaches including
excitonic effects at the Bethe-Salpeter level). The present developments
constitute a basic ingredient for the development of the European
Theoretical Spectroscopy Facility.
Work done in collaboration with A. Castro, M. Marques, X.
Andrade, J.L Alonso, Pablo Echenique, L. Wirtz, A. Marini, M.
Gruning, C. Rozzi, D. Varsano and E.K.U. Gross.
Bio
Angel Rubio is a Professor of Condensed Matter Physics in the Department
of Materials of the Faculty of Chemistry in the Basque Country University
(UPV/EHU), Scientific Vicepresident of the European Theoretical
Spectroscopy Facility, and Distinguished Visiting Scientist at the Fritz
Haber Institute der Max-Planck-Gesellschaft, Berlin . His research
activity in the fields of theory and modeling of electronic and structural
properties in condensed matter and on developing novel theoretical tools
and computational codes to investigate the electronic response of solids
and nanostructures to external electromagnetic fields is internationally
recognized and he hasreceived numerous honors and awards. Among them we
would like to mention National Prize for the best Spanish undergraduate
student of Physics (1989), faculty honor prize for the best PhD thesis in
Physics (1992), Royal Spanish Physical Society Prize “Outstanding young
researchers” (1992); Fulbright Fellow (1993); 2001 JSPS Invitation Fellow
Program for Research in Japan; 2004 Sir Allan Sewell Fellowship School of
Science, Griffith University, Australia; 2004 Fellow of the American
Physical Society: Materials Science Division; 2005 Friedrich Wilhelm
Bessel Research Award, Humboldt Foundation, Germany; DuPond Prize on
Science, 2006. Rubio has an excellent publication record (Hirsch index
52). He is the Editor of three books two about nanotechnologies.
ergydrade, J.L Alonso, Pablo Echenique, L. Wirtz, A. Marini, M.
Gruning, C. Rozzi, D. Varsano and E.K.U. Gross.