Matteo Calandra

Matteo Calandra

CNRS Research Director (DR1)

Institut des Nanosciences de Paris

Sorbonne Universite

Latest results (since Jan. 2017)

Competition between exchange-driven dimerization and magnetism in diamond(111)
Betul Pamuk and Matteo Calandra arXiv:1903.09226, accepted in PRB
Charge density wave and spin insulating state in single layer 1T-NbS2
C Tresca and M Calandra arXiv:1902.00234
Quantum enhancement of charge density wave in NbS in the 2D limit
R Bianco, I Errea, L Monacelli, M Calandra, F Mauri, arXiv:1902.00662, To appear on Nano Letters
Phonon Collapse and Second-Order Phase Transition in Thermoelectric SnSe
Unai Aseginolaza, et al., Phys. Rev. Lett. 122, 075901 (2019)
Ab initio study of the LiH phase diagram at extreme pressures and temperatures
S Biswas, I Errea, M Calandra, F Mauri, S Scandolo,
Physical Review B 99, 024108 (2019)
Phonon-Assisted Magnetic Mott-Insulating State in the Charge Density Wave Phase of Single-Layer 1T−NbSe2
M. Calandra, Phys. Rev. Lett. 121, 026401 (2018)
Chiral spin texture in the charge-density-wave phase of the correlated metallic Pb/Si (111) monolayer
C. Tresca, et al. Phys. Rev. Lett. 120, 196402 (2018)
Multi-scale theoretical approach to X-ray absorption spectra in disordered systems: an application to the study of Zn(II) in water
F. Stellato, et al., Phys. Chem. Chem. Phys. 20, 24775 (2018)
Flat electronic bands in long sequences of rhombohedral-stacked graphene
H. Henck et al., Phys. Rev. B 97, 245421 (2018)
Electronic band structure of Two-Dimensional WS 2/Graphene van der Waals Heterostructures
H. Henck et al., Phys. Rev. B 97, 155421 (2018)
Pressure and stress tensor of complex anharmonic crystals within the stochastic self-consistent harmonic approximation
L. Monacelli, I. Errea, M. Calandra and F. Mauri Phys. Rev. B 98, 024106 (2018)
Exchange Enhancement of the Electron–Phonon Interaction: The Case of Weakly Doped Two-Dimensional Multivalley Semiconductors
B. Pamuk, P. Zoccante, J. Baima, F. Mauri, M. Calandra J. Phys. Soc. Japan, 87, 041013 (2018)
Energy relaxation mechanism of hot-electron ensembles in GaAs: Theoretical and experimental study of its temperature dependence
J. Sjakste, et al. Phys. Rev. B 97, 064302 (2018)
Strong anharmonicity in the phonon spectra of PbTe and SnTe from first principles
G. Ribeiro et al. Phys. Rev. B 97, 014306 (2018)
Field-effect-driven half-metallic multilayer graphene
J Baima, F Mauri, M Calandra Phys. Rev. B 98, 075418 (2018)
Density functional perturbation theory for gated 2D heterostructures: theoretical developments and application to flexural phonons in graphene
Th. Soyer, M. Calandra and F. Mauri, Phys. Rev. B 96, 075448 (2017)
Anharmonicity and the isotope effect in superconducting lithium at high pressures: A first-principles approach
M. Borinaga et al. Phys. Rev. B 96, 184505 (2017)
Advanced capabilities for materials modelling with QUANTUM ESPRESSO
TP. Giannozzi et al., J. of Phys. Cond. Matt., 29, 46 (2017)
The Raman fingerprint of Rhombohedral graphite
A. Torche, F. Mauri, J.C. Charlier and M. Calandra Phys. Rev. Materials 1, 041001(R) (2017)
High Tc superconductivity in weakly electron-doped HfNCl
B. Pamuk, F. Mauri, and M. Calandra Phys. Rev. B 96, 024518(2017)
X-ray Magnetic and Natural Circular Dichroism from first principles: Calculation of K- and L1-edge spectra
N. Bouldi et al. Phys. Rev. B 96, 085123 (2017)
Electronic structure and charge density wave instability in TiSe2: the effect of non-local exchange
M. Hellgren al. Phys. Rev. Lett. 119, 176401 (2017)
Second order structural phase transitions, free energy curvature, and temperature dependent anharmonic phonons in the self-consistent harmonic approximation: theory and stochastic implementation
R. Bianco et al. Phys. Rev. B 96, 014111 (2017)
Effect of doping on lattice instabilities of single-layer 1H-TaS2
Oliver R. Albertini, Amy Y. Liu, Matteo Calandra Phys. Rev. B 95, 235121 (2017)
Breakdown of optical phonons splitting in two-dimensional materials
Th. Sohier et al. Nano Lett., 3758, 17 (2017)
Magnetic gap opening in rhombohedral-stacked multilayer graphene from first principles
Pamuk B, Baima J, F. Mauri, M. Calandra Phys. Rev. B 95, 075422 (2017)

Key words

  • 2D materials
  • Graphene
  • Charge density waves
  • Superconductivity
  • Electron-phonon
  • Transport
  • Anharmonicity
  • DFT and multiscale modeling

Micro CV

Current group


J. Sky Zhou, C. Tresca, M. Campetella

PhD Students

O. Bistoni , D. Romanin (Politecnico di Torino)

Master/L3 Students

D. Amblard, Z. Huffschmidt, N. M. Nguyen



P. Gava, Th. Brumme, R. Bianco, I. Errea, B. Pamuk., X. Zubizarreta, J. Baima

PhD Students

M. d'Avezac, Ch. Gougoussis, M. Antal, P. Zoccante, Th. Sohier, A. Torche, G. Ribeiro


N. Dupuis, X. Caillet, R. G. Jha, Th. Sohier, M. d'Avezac, J. Harold, M. Augustin, D. Romanin

Admin. duties

Member of the scientific advisory committee of the PsiK foundation

Conseil National des Universités

2008-2011 section 28

External member of the commission des specialistes Paris 11

2007-2008 section 28

Member of 1 HdR, 14 thesis discussions

as President (4), Referee (4), Opponent(1)

Member of several AERES evaluation panels.