Friday, February 17, 2012

1202.3454 (Jesse Noffsinger et al.)

Phonon-assisted optical absorption in silicon from first principles    [PDF]

Jesse Noffsinger, Emmanouil Kioupakis, Chris G. Van de Walle, Steven G. Louie, Marvin L. Cohen
The phonon-assisted interband optical absorption spectrum of silicon is
calculated at the quasiparticle level entirely from first principles. We make
use of the Wannier interpolation formalism to determine the quasiparticle
energies, as well as the optical transition and electron-phonon coupling matrix
elements, on fine grids in the Brillouin zone. The calculated spectrum near the
onset of indirect absorption is in very good agreement with experimental
measurements for a range of temperatures. Moreover, our method can accurately
determine the optical absorption spectrum of silicon in the visible range, an
important process for optoelectronic and photovoltaic applications that cannot
be addressed with simple models. The computational formalism is quite general
and can be used to understand the phonon-assisted absorption processes in
general.
View original: http://arxiv.org/abs/1202.3454

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