Commissariat à l’Energie Atomique



Name E-mail Address Phone Number
Alessandro Cresti
Damien Caliste
François Triozon +33 (0)4 38 78 18 48
Mair Chshiev
Pascal Pochet
Philippe Blaise
Sylvai Latil
Xavier Waintal
Yann-Michel Niquet


Laboratory Contact Details


Key Member: Mairbek Chshiev

Phone Number:

Address: 38054 Grenoble Cedex



Three research laboratories of CEA are involved in the project: DSM/INAC/SPINTEC, DSM/INAC/SP2M/L_sim and DRT/LETI/D2NT/LSCE.

INAC/SPINTEC activities comprise a significant part in theory and numerical modelling. In particular, Spintec theory group employs a wide range of analytical and simulation tools including free-electron, diffusive, tight-binding and ab-initio methods to address electronic structure properties and spin-dependent transport phenomena in magnetic nanostructures including those based on graphene.

The simulation group L_sim from INAC/SP2M is focused on the development of advanced computational tools to simulate material properties at the nanoscale (including structure, electronic, optical and transport properties). Expertise of L_sim ranges from ab initio developments in state-of-the-art codes such as AB-INIT, and extension of basis sets through the use of wavelets, to simulation of magnetism from the nanoscale to macroscopic limit, or to the study of electronic and transport properties of semiconducting nanowires, quantum dots, carbon nanotubes and graphene-based materials.

The Laboratory has recently started to develop a tight-binding code (named TB_sim)  versatile enough to deal with quantum transport properties of any nanostructures of interest, and that is fully operational on parallel machines as available on large scale computing facilities (such as CCRT/CEA).  Several tens of Physical Review Letters and Nano Letters papers have been published in the last 5 years, based on TB_sim. Validation of its predictability efficiciency has been achieved by comparing simulated data with experiments on carbon nanotubes and semiconducting nanowires. At the international level, only a few other groups (at MIT/USA, DTU Nanotech/Denmark or Univ. of Sao Paulo/Brazil) have shown similar computational capability for studying transport properties in very complex materials, using ab initio calculations as input parameters.

This code also benefit from interaction with nearby colleagues working at CEA/LETI/D2NT/LSCE as well as Neél Institute, both being partners of NANOSIM_GRAPHENE. The use of ab initio Hamiltonians as input parameters has been initiated very recently, and will be fully established during the course of NANOSIM_GRAPHENE. Indeed, the extension of TB_sim to complex chemically modified forms of graphene based materials and devices remain to be developed at a methodological level, including more systematic coupling between ab initio calculations and tight-binding models, and implementing the necessary device environnement features (such as contact, metallic gates, interaction with dielectric, ..). The interaction with NANOSIM_GRAPHENE partners expert in ab initio calculations such as Néel Institute, IMN Nantes, and Ecole Polytechnique de Montréal will be a unique opportunity to bring TB_sim to a high degree of technical maturity, allowing for realistic studies of transport features in chemically disordered graphene-based materials and devices.

LETI is the Laboratory of Electronics and Information Technology of CEA. Its mission is to develop innovative solutions which lead to industrial transfers or start-up creation and, meanwhile to explore prospective fields in collaboration with academia. LETI’s activities cover Silicon technology, microsystem technology, optical components, multimedia, transmission and telecommunication systems, design, and micro technologies for health and biology. The driving programs of LETI are linked with MINATEC and with Nanotec300 - the 300mm infrastructure to take up the challenge of micro- and nano- electronics. LSCE (Laboratoire Simulation et Caractérisation Electrique) belongs to LETI’s NANOTEC Department. It develops expertises in multiphysics simulation and electrical characterization for nanoelectronics, and interacts with the different technological teams at LETI. The simulation expertise includes process simulation, materials simulation and electronic transport, electromagnetism, mechanics, thermics, fluidics. The electrical characterization expertise includes physical modelling, low current measurements, statistical and functional tests, and characterization facilities for other teams at LETI. Since 4 years, an atomistic simulation expertise is developed: it focuses on materials ab initio simulation and on quantum transport in post-CMOS electronics. The team is involved in the development of the code TB_Sim, in collaboration with the L_Sim team. It is also in strong interaction with the experimentalists of LETI, who are involved in graphene elaboration and characterization, within some of the projects listed below.

  • CEA/LETI and INAC are already collaborating in at least four projects related to the fabrication and experimental characterization of graphene-based devices:
  • XP-GRAPHENE: 3 years ANR (National Research Agency) project, involving IEMN, I. NEEL, CEA/LETI, Georgia Tech
  • GRAND: 3 years 7th PCRD ICT project, involving AMO, U. Cambridge, Tyndall, CEA/LETI, STMicro, IU.NET
  • CARNOT-GRAPHENE: internal project at CEA/LETI
  • NanoDeCa: chaire d’excellence, 3 years, funding by the RTRA, involving CEA/LETI, CEA/INAC, I. NEEL and the Werner von Braun research centre in Brazil.

This strong activity of CEA/LETI in developing new graphene-based technologies is clearly an added value to the NANOSIM_GRAPHENE project, since all these projects concentrate their efforts on fundamental aspects of graphene and/or fabrication of fully functional devices. Also, the time frames of these projects and of the present proposal correlate well.

Group Publications