Slides Concours CNRS DR2 2021

1. CNRS concours 03/01 (2021)
Claudio Attaccalite
Exciton-phonon coupling
from first principles

2. Short CV 1/2
2001: Master in Physics, La Sapienza University (Rome)
2005: PhD in Physics, SISSA, Trieste (Italie) S. Sorella
2006-2007: PostDoc, IEMN, Lille, L. Wirtz
2008-2009: PostDoc, Universidad del Pais Vasco, A. Rubio
2009-2014: CNRS Researcher (CR2), Institute Néel, France
2014-2018: CNRS Researcher (CR1), CINaM, France
2018-2019: Visiting Researcher, Tor-Vergata Univ. (Rome)
2

3. Short CV 2/2
PostDoc/Phd supervision:
2 postdocs,
3 Phd,
3 master, 2 internship
ANR, Aix-Marseille Univ.,
Region Rhone-Alpes,
Tor Vergata Univ., HPC-Europe

4. Short CV 2/2
4
Scientific Production:
53 papers, 1 patent
more than 4000 citations
H-index 28
15 invited talk, 13 talk
11 posters
PostDoc/Phd supervision:
2 postdocs,
3 Phd,
3 master, 2 internship
ANR, Aix-Marseille Univ.,
Region Rhone-Alpes,
Tor Vergata Univ., HPC-Europe

5. Short CV 2/2
5
Teaching and organization
Statistical Mechanics (18/19)
Density Func. Theory (2017)
7 International Schools(2008-)
3 Symposium
8 Conferences/Workshop
1 School
2 Year Weekly seminars
PostDoc/Phd supervision:
2 postdocs,
3 Phd,
3 master, 2 internship
ANR, Aix-Marseille Univ.,
Region Rhone-Alpes,
Tor Vergata Univ., HPC-Europe
Scientific Production:
53 papers, 1 patent
more than 4000 citations
H-index 28
15 invited talk, 13 talk
11 posters

6. Short CV 2/2
6
Teaching and organization
Statistical Mechanics (18/19)
Density Func. Theory (2017)
7 International Schools(2008-)
3 Symposium
8 Conferences/Workshop
1 School
2 Year Weekly seminars
Institutional responsibilities
Editor Fellow for SciPost.org
Comité de direction:
GDR-REST, ETSF, COST-
Action CA17126
Comité scientif. GDR-HOWDI
Correspondent science ouverte du
CINaM
PostDoc/Phd supervision:
2 postdocs,
3 Phd,
3 master, 2 internship
ANR, Aix-Marseille Univ.,
Region Rhone-Alpes,
Tor Vergata Univ., HPC-Europe
Scientific Production:
53 papers, 1 patent
more than 4000 citations
H-index 28
15 invited talk, 13 talk
11 posters

7. Short CV 2/2
7
Teaching and organization
Statistical Mechanics (18/19)
Density Func. Theory (2017)
7 International Schools(2008-)
3 Symposium
8 Conferences/Workshop
1 School
2 Year Weekly seminars
Scientific Production:
53 papers, 1 patent
more than 4000 citations
H-index 28
15 invited talk, 13 talk
11 posters
PostDoc/Phd supervision:
2 postdocs,
3 Phd,
3 master, 2 internship
ANR, Aix-Marseille Univ.,
Region Rhone-Alpes,
Tor Vergata Univ., HPC-Europe
Institutional responsibilities
Editor Fellow for SciPost.org
Comité de direction:
GDR-REST, ETSF, COST-
Action CA17126
Comité scientif. GDR-HOWDI
Correspondent science ouverte du
CINaM
Code development
Yambo, Fiesta,
Turbo-RVB

8. 8
Non-linear spectroscopy
Two-photon absorption
Probing dark
states
Energy [eV]
Second and third harmonic generation
C. Attaccalite, E. Cannuccia, M. Grüning, PRB 95, 125403 (2017)
M. Grüning, C. Attaccalite, PRB-Rapid 88, 081102 (2014)
C. Attaccalite, M. Grüning, H Amara, S Latil, F Ducastelle, PRB 98 (16), 165126 (2018)

9. Metal organic frameworks (MOF)
9
A. R. Kshirsagar, C. Attaccalite, X. Blase, J. Li, and R. Poloni, J. of Phys. Chem. C 125, 7401(2021)
A. R. Kshirsagar, X. Blase, C. Attaccalite, R. Poloni Preprint from ChemRxiv, (2021)
Collaboration with SIMAP (Grenoble)
financed by ANR

10. Electron phonon coupling
10
Correlation effects in the EPC
Phonon-induced
luminescence
E. Cannuccia, B. Monserrat, C. Attaccalite, PRB B 99, 125403 (2019)
C. Attaccalite et al., Nanoletters, 10, 1172(2010)
RAMAN
Phonons

11. Exciton-phonon
coupling
from first principles
11

12. Exciton phonon coupling
Electronic excitations
Many-body theory
Phonons
Density-Functional Theory
Environment effects
Modeling
Exciton-phonon Hamiltonian

13. Expected results
Exciton dynamics Pump-probe
Phonon-assisted
luminescence
Exciton-phonon Hamiltonian

14. Thanks!
Any questions?
Project
Exciton-phonon
from first principles
Phonon-assisted luminescence
Exicton-dynamics
Time-resolved spectroscopy

15. Exciton phonons
Exciton-phonon matrix elements
Exciton-phonon Hamiltonian
Equations of motion
Phonon occupation
Polarization
PH-assist. pol.
Exciton-phonon
Exciton-density

16. Quantum Electrostatic
Heterostructure model and its relatives
K. Andersen, S. Latini and K.S. Thygesen, Nanoletter, 15, 4616 (2015)
L. Sponza, F. Ducastelle, https://arxiv.org/abs/2011.07811

17. Environment: phonons
T. Sohier, et al. Phys. Rev. Mat. 5, 024004 (2021)