Claudio Attaccalite

CNRS director at CINaM laboratory - Aix-Marseille University
93 %
Libre accès
75
Documents
Affiliations actuelles
  • Centre National de la Recherche Scientifique (CNRS)
  • Centre Interdisciplinaire de Nanoscience de Marseille (CINaM)
  • Aix Marseille Université (AMU)

Publications

Publications

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A real-time approach to frequency-mixing spectroscopies: application to sum and difference frequency generation in two-dimensional crystals

Mike N. Pionteck , Myrta Grüning , Simone Sanna , Claudio Attaccalite

SciPost Physics, 2025, 19, pp.129. ⟨10.21468/SciPostPhys.19.5.129⟩

Article dans une revue hal-04985648v1
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Moiré amplification of highly tunable shift current response in twisted trilayer graphene

Yuncheng Mao , Claudio Attaccalite , Diego García Ovalle

Physical Review B, 2025, 111 (19), pp.195408. ⟨10.1103/PhysRevB.111.195408⟩

Article dans une revue hal-04779604v1
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Shift current in 2D Janus Transition-Metal Dichalcogenides: the role of excitons

Yuncheng Mao , Ju Zhou , Myrta Grüning , Claudio Attaccalite

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2025, 9 (12), pp.124002. ⟨10.1103/qth8-6spb⟩

Article dans une revue hal-05126655v1

The 2025 Roadmap to Ultrafast Dynamics: Frontiers of Theoretical and Computational Modelling

Fabio Caruso , Michael Sentef , Claudio Attaccalite , Michael Bonitz , Claudia Draxl et al.

Journal of Physics: Materials, 2025, 9 (1), pp.012501. ⟨10.1088/2515-7639/ae1165⟩

Article dans une revue hal-04885167v1
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Tunable second harmonic generation in 2D materials: comparison of different strategies

Simone Grillo , Elena Cannuccia , Maurizia Palummo , Olivia Pulci , Claudio Attaccalite

SciPost Physics Core, 2024, 7 (4), pp.081. ⟨10.21468/SciPostPhysCore.7.4.081⟩

Article dans une revue hal-04731724v1

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, 2023, 7, pp.024006. ⟨10.1103/PhysRevMaterials.7.024006⟩

Article dans une revue hal-03909192v1
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Pressure Dependence of Electronic, Vibrational and Optical Properties of wurtzite-Boron Nitride

Martino Silvetti , Claudio Attaccalite , Elena Cannuccia

Physical Review Materials, 2023, 7 (5), pp.055201. ⟨10.1103/PhysRevMaterials.7.055201⟩

Article dans une revue hal-03852418v1
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Electrical monitoring of organic crystal phase transition using MoS2 field effect transistor

Ilan Boulet , Simon Pascal , Frédéric Bedu , Igor Ozerov , Alain Ranguis et al.

Nanoscale Advances, 2023, 5 (6), pp.1681-1690. ⟨10.1039/d2na00817c⟩

Article dans une revue hal-04001075v1
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Exciton-Exciton transitions involving strongly bound Frenkel excitons: an ab initio approach

D. Sangalli , M. d'Alessandro , Claudio Attaccalite

Physical Review B, 2023, 107 (20), pp.205203. ⟨10.1103/PhysRevB.107.205203⟩

Article dans une revue hal-03866927v1
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Interlayer and intralayer excitons in AlN/WS$_2$ heterostructure

Claudio Attaccalite , M. S. Prete , M. Palummo , O. Pulci

Materials, 2022, 15 (23), pp.8318. ⟨10.3390/ma15238318⟩

Article dans une revue hal-03717052v1
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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 et al.

Nanomaterials, 2022, 12 (12), pp.2118. ⟨10.3390/nano12122118⟩

Article dans une revue hal-03700706v1
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Excitons under strain: light absorption and emission in strained hexagonal boron nitride

Pierre Lechifflart , Fulvio Paleari , Claudio Attaccalite

SciPost Physics, 2022, 12, pp.145. ⟨10.21468/SciPostPhys.12.5.145⟩

Article dans une revue hal-03502146v1
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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, 2022, 6, pp.065202. ⟨10.1103/PhysRevMaterials.6.065202⟩

Article dans une revue (article de synthèse) hal-03704579v1
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Tetraphenyl Tetrel Molecules and Molecular Crystals: From Structural Properties to Nonlinear Optics

Kevin Eberheim , Christof Dues , Claudio Attaccalite , Marius Müller , Sebastian Schwan et al.

Journal of Physical Chemistry C, 2022, 126 (7), pp.3713-3726. ⟨10.1021/acs.jpcc.1c10107⟩

Article dans une revue hal-03602355v1
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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 et al.

Advanced Photonics Research, 2021, pp.2000101. ⟨10.1002/adpr.202000101⟩

Article dans une revue hal-03142453v1
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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, 2021, 12 (16), pp.4045-4051. ⟨10.1021/acs.jpclett.1c00543⟩

Article dans une revue hal-03359643v1
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On-surface chemistry using local high electric fields

Thomas Leoni , Tony Lelaidier , Anthony Thomas , Alain Ranguis , Olivier Siri et al.

Nanoscale Advances, 2021, 3 (19), pp.5565 - 5569. ⟨10.1039/d1na00383f⟩

Article dans une revue hal-03421568v1
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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, 2021, 125 (13), pp.7401-7412. ⟨10.1021/acs.jpcc.1c00367⟩

Article dans une revue hal-03359630v1
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Tuning the Direct and Indirect Excitonic Transitions of h -BN by Hydrostatic Pressure

Alfredo Segura , Ramon Cuscó , Claudio Attaccalite , Takashi Taniguchi , Kenji Watanabe et al.

Journal of Physical Chemistry C, 2021, 125 (23), pp.12880-12885. ⟨10.1021/acs.jpcc.1c02082⟩

Article dans une revue hal-03421555v1
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TurboRVB: a many-body toolkit for ab initio electronic simulations by quantum Monte Carlo

Kousuke Nakano , Claudio Attaccalite , Matteo Barborini , Luca Capriotti , Michele Casula et al.

The Journal of Chemical Physics, 2020, ⟨10.1063/5.0005037⟩

Article dans une revue hal-02733177v1
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Many-body perturbation theory calculations using the yambo code

D. Sangalli , A. Ferretti , H. Miranda , Claudio Attaccalite , I. Marri et al.

Journal of Physics: Condensed Matter, 2019, 31, pp.325902. ⟨10.1088/1361-648X/ab15d0⟩

Article dans une revue hal-02032065v1
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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, 2019, 3 (7), ⟨10.1103/PhysRevMaterials.3.074003⟩

Article dans une revue hal-02186055v1

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), 2019, 99, pp.081109. ⟨10.1103/PhysRevB.99.081109⟩

Article dans une revue hal-01852174v1

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, 2019, 3 (1), pp.86-92. ⟨10.1039/c8qm00478a⟩

Article dans une revue hal-01970667v1
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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), 2018, 98 (16), pp.165126. ⟨10.1103/PhysRevB.98.165126⟩

Article dans une revue hal-01755879v1
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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 et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2018, 98 (12), pp.125206. ⟨10.1103/PhysRevB.98.125206⟩

Article dans une revue hal-01820825v1
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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, 2018, 124 (8), pp.086102. ⟨10.1063/1.5044186⟩

Article dans une revue hal-01972471v1

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, 2018, 123 (16), pp.161421. ⟨10.1063/1.5010269⟩

Article dans une revue hal-02141908v1
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Exciton interference in hexagonal boron nitride

Lorenzo Sponza , Hakim Amara , François Ducastelle , Annick Loiseau , Claudio Attaccalite

Physical Review B, 2018, 97 (7), pp.075121. ⟨10.1103/PhysRevB.97.075121⟩

Article dans une revue hal-01635495v1
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Excitonic effects in third-harmonic generation: The case of carbon nanotubes and nanoribbons

Claudio Attaccalite , E. Cannuccia , M. Grüning

Physical Review B, 2017, 95 (12), pp.125403. ⟨10.1103/PhysRevB.95.125403⟩

Article dans une revue hal-01635486v1
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Angle-resolved electron energy loss spectroscopy in hexagonal boron nitride

Frederic Fossard , Lorenzo Sponza , Léonard Schué , Claudio Attaccalite , François Ducastelle et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (11), pp.115304. ⟨10.1103/PhysRevB.96.115304⟩

Article dans une revue hal-01633518v1
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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, 2016, 94 (3), pp.035149. ⟨10.1103/PhysRevB.94.035149⟩

Article dans une revue hal-01320532v1
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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, 2016, 18 (31), pp.21179-21189. ⟨10.1039/c6cp00459h⟩

Article dans une revue hal-01320555v1
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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, 2015, 17 (14), pp.9533-9540. ⟨10.1039/c5cp00601e⟩

Article dans une revue hal-01230829v1
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Optical properties of Cu-chalcogenide photovoltaic absorbers from self-consistent GW and the Bethe-Salpeter equation

Sabine Körbel , David Kammerlander , Rafael Sarmiento-Pérez , Claudio Attaccalite , Miguel Alexandre Lopes Marques et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (7), pp.075134. ⟨10.1103/PhysRevB.91.075134⟩

Article dans une revue hal-01230827v1
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Exploring approximations to the GW self-energy ionic gradients

Carina Faber , Paul Boulanger , Claudio Attaccalite , E. Cannuccia , I. Duchemin et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 91 (15), pp.155109. ⟨10.1103/PhysRevB.91.155109⟩

Article dans une revue hal-01110455v1

Excited states properties of organic molecules: from density functional theory to the GW and Bethe-Salpeter Green's function formalisms

Carina Faber , Paul Boulanger , Claudio Attaccalite , Ivan Duchemin , Xavier Blase

Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences (1934–1990), 2014, 372 (2011), pp.20130271. ⟨10.1098/rsta.2013.0271⟩

Article dans une revue hal-00978401v1

Second Harmonic Generation in h-BN and MoS$_2$ monolayers: the role of electron-hole interaction

M. Grüning , Claudio Attaccalite

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2014, 89 (8), pp.081102. ⟨10.1103/PhysRevB.89.081102⟩

Article dans une revue hal-00935297v1

Many-body Green's function GW and Bethe-Salpeter study of the optical excitations in a paradigmatic model dipeptide

Carina Faber , Paul Boulanger , Ivan Duchemin , Claudio Attaccalite , Xavier Blase

The Journal of Chemical Physics, 2013, 139, pp.194308. ⟨10.1063/1.4830236⟩

Article dans une revue hal-00913648v1

Nonlinear optics from ab-initio by means of the dynamical Berry-phase

Claudio Attaccalite , M. Grüning

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2013, 88 (23), pp.235113. ⟨10.1103/PhysRevB.88.235113⟩

Article dans une revue hal-00862625v1
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Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible

Claudio Attaccalite , Ludger Wirtz , Andrea Marini , Angel Rubio

Scientific Reports, 2013, 3, pp.2698. ⟨10.1038/srep02698⟩

Article dans une revue hal-00865828v1
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Electron-phonon coupling and charge-transfer excitations in organic systems from many-body perturbation theory

Carina Faber , Ivan Duchemin , Thierry Deutsch , Claudio Attaccalite , Valerio Olevano et al.

Journal of Materials Science, 2012, 47 (21), pp.7472. ⟨10.1007/s10853-012-6401-7⟩

Article dans une revue hal-00730389v1

Trends in condensed matter physics: is research going faster and faster?

Claudio Attaccalite , S. Barland

Journal of Unsolved Questions, 2012, 3 (1), pp.1-5

Article dans une revue hal-00752251v1
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Comment on "Electronic Structure of Superconducting KC8 and Nonsuperconducting LiC6 Graphite Intercalation Compounds: Evidence for a Graphene-Sheet-Driven Superconducting State

Matteo Calandra , Claudio Attaccalite , Giovanni Profeta , Francesco Mauri

Physical Review Letters, 2012, 108, pp.149701. ⟨10.1103/PhysRevLett.108.149701⟩

Article dans une revue hal-00692115v1

Speeding up the solution of the Bethe-Salpeter equation by a double-grid method and Wannier interpolation

David Kammerlander , Silvana Botti , Miguel A. L. Marques , Andrea Marini , Claudio Attaccalite

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2012, 86 (12), pp.125203. ⟨10.1103/PhysRevB.86.125203⟩

Article dans une revue hal-00730372v1
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A real-time approach to the optical properties of solids and nano-structures: the time-dependent Bethe-Salpeter equation

Claudio Attaccalite , M. Grüning , A. Marini

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (24), pp.245110. ⟨10.1103/PhysRevB.84.245110⟩

Article dans une revue hal-00626220v1

Strong electronic correlation in the Hydrogen chain: a variational Monte Carlo study

Lorenzo Stella , Claudio Attaccalite , Sandro Sorella , Angel Rubio

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 84 (24), pp.245117. ⟨10.1103/PhysRevB.84.245117⟩

Article dans une revue hal-00692142v1

First-principles GW calculations for DNA and RNA nucleobases

Carina Faber , Claudio Attaccalite , Valerio Olevano , Erich Runge , Xavier Blase

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83 (11), pp.115123. ⟨10.1103/PhysRevB.83.115123⟩

Article dans une revue hal-00626223v1
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Charge-transfer excitations in molecular donor-acceptor complexes within the many-body Bethe-Salpeter approach

Xavier Blase , Claudio Attaccalite

Applied Physics Letters, 2011, 99 (17), pp.171909. ⟨10.1063/1.3655352⟩

Article dans une revue hal-00626221v1

First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications

Xavier Blase , Claudio Attaccalite , Valerio Olevano

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.115103. ⟨10.1103/PhysRevB.83.115103⟩

Article dans une revue hal-00626224v1
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Coupling of excitons and defect states in boron-nitride nanostructures

Claudio Attaccalite , M. Bockstedte , A. Marini , A. Rubio , L. Wirtz

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2011, 83, pp.144115. ⟨10.1103/PhysRevB.83.144115⟩

Article dans une revue hal-00626222v1
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Doped graphene as tunable electron-phonon coupling material

Claudio Attaccalite , L. Wirtz , M. Lazzeri , Francesco Mauri , A. Rubio

Nano Letters, 2010, 10 (4), pp.1172-1176. ⟨10.1021/nl9034626⟩

Article dans une revue hal-00549056v1

Doped graphene as tunable electron-phonon coupling material

Claudio Attaccalite , Ludger Wirtz , Michele Lazzeri , Francesco Mauri , Angel Rubio

Nano Letters, 2010, 10 (4), pp.1172. ⟨10.1021/nl9034626⟩

Article dans une revue hal-00695022v1
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Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane

Claudio Attaccalite , Angel Rubio , Cudazzo Pierluigi , Ilya V. Tokatly

Physical Review Letters, 2010, 104, pp.226804. ⟨10.1103/PhysRevLett.104.226804⟩

Article dans une revue hal-00695023v1
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Phonon surface mapping of graphite : disentangling quasi-degenerate phonon dispersions

A. Gruneis , J. Serrano , A. Bosak , M. Lazzeri , S.L. Molodtsov et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2009, 80, pp.085423-1-5. ⟨10.1103/PhysRevB.80.085423⟩

Article dans une revue hal-00473343v1
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Impact of the electron-electron correlation on phonon dispersions : failure of LDA and GGA functionals in graphene and graphite

M. Lazzeri , Claudio Attaccalite , L. Wirtz , Francesco Mauri

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78, pp.081406(R)-1-4. ⟨10.1103/PhysRevB.78.081406⟩

Article dans une revue hal-00357354v1

Comment on ''Huge excitonic effects in layered hexagonal boron nitride

L. Wirtz , A. Marini , M. Gruning , Claudio Attaccalite , G. Kresse et al.

Physical Review Letters, 2008, 100, pp.189701-1. ⟨10.1103/PhysRevLett.100.189701⟩

Article dans une revue hal-00357330v1

Electron-electron correlation in graphite : a combined angle-resolved photoemission and first-principles study

A. Gruneis , Claudio Attaccalite , T. Pichler , V. Zabolotnyy , H. Shiozawa et al.

Physical Review Letters, 2008, 100, pp.037601-1-4. ⟨10.1103/PhysRevLett.100.037601⟩

Article dans une revue hal-00357328v1
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Tight-binding description of the quasiparticle dispersion of graphite and few-layer graphene

A. Grüneis , Claudio Attaccalite , L. Wirtz , H. Shiozawa , R. Saito et al.

Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2008, 78, pp.205425-1-16. ⟨10.1103/PhysRevB.78.205425⟩

Article dans une revue hal-00357778v1

Absorption of BN nanotubes under the influence of a perpendicular electric field

Claudio Attaccalite , L. Wirtz , A. Marini , A. Rubio

physica status solidi (b), 2007, 244, pp.4288-4292. ⟨10.1002/pssb.200776199⟩

Article dans une revue hal-00283187v1

Low energy quasiparticle dispersion of graphite by angle-resolved photoemission spectroscopy

A. Gruneis , T. Pichler , H. Shiozawa , Claudio Attaccalite , L. Wirtz et al.

physica status solidi (b), 2007, 244, pp.4129-4133. ⟨10.1002/pssb.200776107⟩

Article dans une revue hal-00283186v1
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Non-linear response in extended systems: a real-time approach

Claudio Attaccalite

Materials Science [cond-mat.mtrl-sci]. Aix-Marseille Universite, 2017

HDR tel-01635503v1

Tuning the Kohn anomaly in the phonon dispersion of graphene by interaction with the substrate and by doping

L. Wirtz , A. Allard , Claudio Attaccalite , M. Lazzeri , Francesco Mauri et al.

American Physical Society March Meeting, APS March Meeting 2011, 2011, Dallas, TX, United States

Communication dans un congrès hal-00579043v1

News on the theoretical spectroscopy of boron nitride nanostructures

L. Wirtz , Claudio Attaccalite , A. Marini , M. Bockstedte , A. Rubio

Annual Meeting of the GDR-I GNT 'Graphene and Nanotubes', 2011, Dourdan, France

Communication dans un congrès hal-00807592v1

Electron phonon coupling in graphene within the GW approximation

L. Wirtz , M. Lazzeri , Claudio Attaccalite , Francesco Mauri

Graphene Week, 2009, Obergurgl, Austria

Communication dans un congrès hal-00575397v1

Electron-phonon coupling in graphite within the GW-approximation

L. Wirtz , M. Lazzeri , Claudio Attaccalite , Francesco Mauri

13th ETSF/Nanoquanta Workshop on Electronic Excitations, 2008, Pugnochiuso, Italy

Communication dans un congrès hal-00362012v1

Effect of impurities on the optical properties of BN nanotubes

Claudio Attaccalite , L. Wirtz , A. Rubio

11th Nanoquanta Workshop on Electronic Excitations, 2006, Houffalize, Belgium

Communication dans un congrès hal-00127866v1