Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France

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Associate professor

E-mail : cyril.martins@irsamc.ups-tlse.fr

Address :
Laboratoire de Chimie et Physique Quantiques
Université Toulouse III - Paul Sabatier
118 route de Narbonne
31062 Toulouse Cedex 9, France

Office : Building 3R1b4 - office 204

Phone : +33 (0)5 61 55 60 45


  • Main topics :
    Solid state physics : bulk materials, surfaces and interfaces

  • Objectives :
    To determine the experimentally observed (structural, thermal, electric, magnetic, mechanical, optical and spectral) properties from realistic numerical simulations
    To construct models explaining these properties

  • Areas of expertise :
    Ab initio electronic structure calculations (calculation based on the microscopic description of the system without any adjustment parameters)
    Correlated materials (materials where the electronic Coulomb interaction play a significant role and can even drive the system insulating : the "famous" metal-Mott insulator transition)
    Spin-orbit coupling (a relativistic correction to the Schrödinger equation which may have tremendous effects on the physical properties in materials based on heavy atoms )

  • Methods used :
    Quantum chemistry methods (post-Hartree-Fock),
    Density functional theory (DFT)
    Many-body perturbation theory (Green’s function based methods, like GW approximation),
    Dynamical mean-field theory (DMFT) and its extensions.
  • Applications :
    Electronic structure of the transition metal and their oxides SrVO3, SrTIO3, TiPO4,...
    Spin-orbit driven metal-Mott insulator transition iridates (Sr2IrO4 and its doped versions), rhodium-based oxide, ...
    Magnetic properties in molecular complex single-molecule magnet, ...


  • Since Sept. 2014 : Assistant professor (Maître de Conférences)
    Laboratoire de Chimie et Physique Quantiques, Université Toulouse III - Paul Sabatier, Toulouse (France).

  • Jan. 2014 - Aug. 2014 : Postdoctoral fellow
    Laboratoire de Physique des Solides, Université Paris 11, Orsay (France).

  • 2012 - 2013 : Research engineer (postodoctoral fellow)
    CEA/DAM Ile de France, Bruyères-le-Châtel (France).

  • 2011 : Postdoctoral fellow
    National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan) and Chiba University, Chiba (Japan).


  • 2007 - 2010 : PhD in condensed matter physics « Docteur de l’Ecole Polytechnique  », Centre de Physique Théorique (CPHT), Ecole Polytechnique, Palaiseau (France).

  • 2004 - 2007 : Ecole Nationale Supérieure de l’Aéronautique et de l’Espace - SUPAERO (the French Engineering School of Aeronautics and Space), Toulouse (France).