Real-time approach to nonlinear reponse in solids: application to second- and third-harmonic generation
CFM Seminars
- Speaker
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Claudio Attaccalite. Institut Neel, CNRS, Grenoble
- When
-
2014/09/29
13:00 - Place
- Auditorium of Jose Mari Korta building .Avda. de Tolosa, 72, Donostia
- Add to calendar
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Abstract:
We present a real-time approach to study nonlinear optical properties in
Condensed Matter systems that is especially suitable for crystalline
solids[1]. The equation of motions and the coupling of the electrons with the
external electric field are derived from the Berry phase formulation of the
dynamical polarization. Many-body effects are introduced by adding single-
particle operators to the independent-particle Hamiltonian. Specifically we
include crystal local field effects, renormalization of the energy levels and
excitonic effects. The approach is validated by calculating the second and
third harmonic generation of bulk semiconductors. Finally we present second-
harmonic generation spectrum of h-BN or MoS2 monolayers and we show that
correlation effects double the signal intensity at the excitonic resonances
with respect to the contribution from independent electronic transitions.[2]
Ref.
[1] Nonlinear optics from an ab-initio approach by means of the dynamical
Berry phase: Application to second-and third-harmonic generation in
semiconductors
C Attaccalite, M Grüning
Physical Review B 88 (23), 235113 (2013)
[2] Second harmonic generation in h-BN and MoS2 monolayers: Role of electron-
hole interaction
M. Grüning and C. Attaccalite
Phys. Rev. B 89, 081102(R) (2014)