Matteo Calandra

Latest results (since Jan. 2017)

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)
Magnetic Band Gap Opening in Long Sequences of Rhombohedral-stacked Multilayer Graphene
H. Henck et al., arXiv:1708.03220
The Raman fingerprint of Rhombohedral graphite
A. Torche, F. Mauri, J.C. Charlier and M. Calandra To appear on Phys. Rev. Materials,arXiv:1706:02773
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. arXiv:1704.05669, to appear on Phys. Rev. Lett.
Anharmonicity and the isotope effect in superconducting lithium at high pressures: a first-principles approach
M. Borinaga al. arXiv:1703.05657
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

Admin. duties

Conseil National des Universités

2008-2011 section 28

External member of the commission des specialistes Paris 11

2007-2008 section 28

Member of 13 thesis discussions in three different countries,

as President (4), Referee (2), Opponent(1)

Member of several AERES evaluation panels.

PhD/Postdoc direction (Past and Present)


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