Claudio Attaccalite
R1
CRHC
chercheur
electron -phonon couplgin, linear optics, non-linear optics, theory, simulations
I am a theoretical physicist working in the field of condensed matter theory. My research interests are:
- Excited states
- Optical properties
- Real-time and time-resolved spectroscopy
- Non-linear optics
- Electron-phonon coupling
I'm an Editor for SciPost
More info on my webpage:
- Exciton-phonon coupling in boron-nitride nanostructure
- Optical properties of photo-active Metal-Organic Frameworks
- Non-linear optical response of ferroeletrics
- Pump-and-probe spectroscopy
- Exciton-defects coupling
1997–2001 B. S. Degree in Physics, "La Sapienza" University, Rome (Italy),
thesis title: "Correlation energy and spin polarization in the 2D electron gas" supervisors: G. Bachelet and S. Moroni.
2001–2002 M. S. Degree in Condensed Matter Physics,International School for Advanced Studies (SISSA/ISAS), Trieste (Italy), title: "Properties of Gutzwiller wave-functions for multi-band models"
supervisor: M. Fabrizio.
2002–2005 PhD in Condensed Matter Physics, International School for Advanced Studies (SISSA/ISAS), Trieste (Italy), title: "RVB phase of hydrogen at high pressure: towards the first ab-initio Molecular Dynamics by Quantum Monte Carlo"
supervisor: S. Sorella.
2006-2007 PostDoc, Institute for Electronics, Microelectronics, and Nanotechnology, Lille (France).
2008-2009 PostDoc, Universidad del Pais Vasco, San Sebastian (Spain).
2010-2014 Researcher CR2, Institute Neel, CNRS, Grenoble (France).
since 2015 Researcher CR1, CINaM Aix-Marseille Université, CNRS, Marseille (France).
2017- 2019 Visiting Researcher, Tor-Vergata University, Rome (Italy)
2023
Electrical monitoring of organic crystal phase transition using MoS2 field effect transistor
Ilan Boulet, Simon Pascal, F. Bedu, Igor Ozerov, Alain Ranguis, Thomas Leoni, Conrad Becker, Laurence Masson, Aleksandar Matkovic, Christian Teichert, Olivier Siri, Claudio Attaccalite, Jean-Roch Huntzinger, Matthieu Paillet, Ahmed-Azmi Zahab, Romain Parret
Nanoscale Advances 5:1681-1690 (2023)10.1039/d2na00817c
First-principles study of luminescence in hexagonal boron nitride single layer: exciton-phonon coupling and the role of substrate
Pierre Lechifflart, Fulvio Paleari, Davide Sangalli, Claudio Attaccalite
Physical Review Materials 7:024006 (2023)10.1103/PhysRevMaterials.7.024006
Exciton-Exciton transitions involving strongly bound Frenkel excitons: an ab initio approach
D. Sangalli, M. d'Alessandro, Claudio Attaccalite
Physical Review B 107:205203 (2023)10.1103/PhysRevB.107.205203
Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride
Martino Silvetti, Claudio Attaccalite, Elena Cannuccia
Physical Review Materials 7:055201 (2023)10.1103/PhysRevMaterials.7.055201
2022
Interlayer and intralayer excitons in AlN/WS$_2$ heterostructure
Claudio Attaccalite, M. S. Prete, M. Palummo, O. Pulci
Materials 15:8318 (2022)10.3390/ma15238318
Ab Initio Study of Graphene/hBN Van der Waals Heterostructures: Effect of Electric Field, Twist Angles and p-n Doping on the Electronic Properties
Simone Brozzesi, Claudio Attaccalite, Francesco Buonocore, Giacomo Giorgi, Maurizia Palummo, Olivia Pulci
Nanomaterials 12:2118 (2022)10.3390/nano12122118
Nonlinear optical response of ferroelectric oxides: First-principles calculations within the time and frequency domains
Christof Dues, Marius J Müller, Sangam Chatterjee, Claudio Attaccalite, Simone Sanna
Physical Review Materials 6:065202 (2022)10.1103/PhysRevMaterials.6.065202
Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics
Kevin Eberheim, Christof Dues, Claudio Attaccalite, Marius Müller, Sebastian Schwan, Doreen Mollenhauer, Sangam Chatterjee, Simone Sanna
Journal of Physical Chemistry C 126:3713-3726 (2022)10.1021/acs.jpcc.1c10107
Excitons under strain: light absorption and emission in strained hexagonal boron nitride
Pierre Lechifflart, Fulvio Paleari, Claudio Attaccalite
SciPost Physics 12:145 (2022)10.21468/SciPostPhys.12.5.145
2021
Ellipsometry Study of Hexagonal Boron Nitride using Synchrotron Radiation: Transparency Window in the Far‐UVC
Luis Artús, Martin Feneberg, Claudio Attaccalite, James H Edgar, Jiahan Li, Rüdiger Goldhahn, Ramon Cuscó
Advanced Photonics Research 2000101 (2021)10.1002/adpr.202000101
Bethe–Salpeter Study of the Optical Absorption of trans and cis Azobenzene-Functionalized Metal–Organic Frameworks Using Molecular and Periodic Models
Aseem Rajan Kshirsagar, Claudio Attaccalite, Xavier Blase, Jing Li, Roberta Poloni
Journal of Physical Chemistry C 125:7401-7412 (2021)10.1021/acs.jpcc.1c00367
Strongly Bound Excitons in Metal–Organic Framework MOF-5: A Many-Body Perturbation Theory Study
Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, Roberta Poloni
Journal of Physical Chemistry Letters 12:4045-4051 (2021)10.1021/acs.jpclett.1c00543
On-surface chemistry using local high electric fields
Thomas Leoni, Tony Lelaidier, Anthony Thomas, Alain Ranguis, Olivier Siri, Claudio Attaccalite, Conrad Becker
Nanoscale Advances 3:5565-5569 (2021)10.1039/d1na00383f
Tuning the Direct and Indirect Excitonic Transitions of h -BN by Hydrostatic Pressure
Alfredo Segura, Ramon Cuscó, Claudio Attaccalite, Takashi Taniguchi, Kenji Watanabe, Luis Artús
Journal of Physical Chemistry C 125:12880-12885 (2021)10.1021/acs.jpcc.1c02082
2020
TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo
Kousuke Nakano, Claudio Attaccalite, Matteo Barborini, Luca Capriotti, Michele Casula, Emanuele Coccia, Mario Dagrada, Claudio Genovese, Ye Luo, Guglielmo Mazzola, Andrea Zen, Sandro Sorella
The Journal of Chemical Physics (2020)10.1063/5.0005037
2019
How strong is the second harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations
Claudio Attaccalite, Maurizia Palummo, Elena Cannuccia, Myrta Grüning
Physical Review Materials 3 (2019)10.1103/PhysRevMaterials.3.074003
Theory of phonon-assisted luminescence in solids: application to hexagonal boron nitride
Elena Cannuccia, B. Monserrat, Claudio Attaccalite
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 99:081109 (2019)10.1103/PhysRevB.99.081109
Influence of halogen substitution on aggregation-induced near infrared emission of borondifluoride complexes of 2′-hydroxychalcones
Anthony D’aléo, Andrés Saúl, Claudio Attaccalite, Frédéric Fages
Materials Chemistry Frontiers 3:86-92 (2019)10.1039/c8qm00478a
Many-body perturbation theory calculations using the yambo code
D. Sangalli, A. Ferretti, H. Miranda, Claudio Attaccalite, I. Marri, E. Cannuccia, P. Melo, M. Marsili, F. Paleari, A. Marrazzo, G. Prandini, P. Bonfa, M. O. Atambo, F. Affinito, M. Palummo, A. Molina-Sánchez, C. Hogan, M. Grüning, D. Varsano, A. Marini
Journal of Physics: Condensed Matter 31:325902 (2019)10.1088/1361-648X/ab15d0
2018
Two-photon absorption in two-dimensional materials: The case of hexagonal boron nitride
Claudio Attaccalite, Myrta Grüning, Hakim Amara, Sylvain Latil, François Ducastelle
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 98:165126 (2018)10.1103/PhysRevB.98.165126
Direct and indirect excitons in boron nitride polymorphs: a story of atomic configuration and electronic correlation
Lorenzo Sponza, Hakim Amara, Claudio Attaccalite, Sylvain Latil, Thomas Galvani, Fulvio Paleari, Ludger Wirtz, François Ducastelle
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 98:125206 (2018)10.1103/PhysRevB.98.125206
Exciton interference in hexagonal boron nitride
Lorenzo Sponza, Hakim Amara, François Ducastelle, Annick Loiseau, Claudio Attaccalite
Physical Review B 97:075121 (2018)10.1103/PhysRevB.97.075121
Response to “Comment on ‘Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles’” [J. Appl. Phys. 124 , 086101 (2018)]
Dilyara Timerkaeva, Claudio Attaccalite, Gilles Brenet, Damien Caliste, Pascal Pochet
Journal of Applied Physics 124:086102 (2018)10.1063/1.5044186
Structural, electronic, and optical properties of the C-C complex in bulk silicon from first principles
Dilyara Timerkaeva, Claudio Attaccalite, Gilles Brenet, Damien Caliste, Pascal Pochet
Journal of Applied Physics 123:161421 (2018)10.1063/1.5010269
2017
Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons
Claudio Attaccalite, E. Cannuccia, M. Grüning
Physical Review B 95:125403 (2017)10.1103/PhysRevB.95.125403
Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride
Frederic Fossard, Lorenzo Sponza, Léonard Schué, Claudio Attaccalite, François Ducastelle, Julien Barjon, Annick Loiseau
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 96:115304 (2017)10.1103/PhysRevB.96.115304
2016
Dielectrics in a time-dependent electric field: a real-time approach based on density-polarization functional theory
M Grüning, D Sangalli, Claudio Attaccalite
Physical Review B 94:035149 (2016)10.1103/PhysRevB.94.035149
Performance of polarisation functionals for linear and nonlinear optical properties of bulk zinc chalcogenides ZnX (X = S, Se, and Te)
Myrta Grüning, Claudio Attaccalite
Physical Chemistry Chemical Physics 18:21179-21189 (2016)10.1039/c6cp00459h
2015
Strong second harmonic generation in SiC, ZnO, GaN two-dimensional hexagonal crystals from first-principles many-body cal-culations
Claudio Attaccalite, Alassane Nguer, Elena Cannuccia, Myrta Grüning
Physical Chemistry Chemical Physics 17:9533-9540 (2015)10.1039/c5cp00601e
Exploring approximations to the GW self-energy ionic gradients
Carina Faber, Paul Boulanger, Claudio Attaccalite, E. Cannuccia, I. Duchemin, T. Deutsch, Xavier Blase
Physical Review B: Condensed Matter and Materials Physics (1998-2015) 91:155109 (2015)10.1103/PhysRevB.91.155109