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Nanostructures

Nanosctructures are object of great interest in the last few years, for their peculiar electronic, optical and transport properties, that can be exploited for many applications: sensors, photovoltaics, devices, optics and so on. Nevertheless many aspects of low-dimensional physics are far to be understood and many interesting question are open to theoretical investigation. By means of ab-initio methods (in the framework of Density Functional Theory and Many Body Perturbation Theory) we study the structural, electronic, optical and transport properties of technological-appealing nanostructures in order to predicit and engineer materials with the desired properties.

  • Si, Ge and Si-Ge Nanowires
  • Si Nanocrystals
  • PbSe and PbS Nanocrystals
  • TiO2 Nanocrystals

Researchers:

Coordinator Prof. Stefano Ossicini

Elena Degoli
Ivan Marri
Roberto Guerra
Michele Amato
Nicola Spallanzani
Marco Govoni


Collaborations:

  • Dr. Maurizia Palummo, Dipartimento di Fisica, Universitą di Roma "Tor Vergata"  Roma (Italy)
  • Prof. C. Bulutay, Department of Physics, Bilkent University, Ankara, Turkey
  • Dr. Riccardo Rurali, Institut de Cičncia de Materiales de Barcelona (CSIC), Campus de Bellaterra, Bellaterra, Barcelona (Spain)
  • Group of Prof. Angel Rubio, Nano Bio Spectroscopy Group, Dpt. Fķsica de Materiales, Facultad de Quķmicas and Centro Fķsica de Materiales CSIC-UPV/EHU, Donostia-San Sebastian (Spain)
  • Dr. Letizia Chiodo, CNR-NNL, Lecce (Italy)
  • Prof. Olivia Pulci, Dipartimento di Fisica, Universitą di Roma "Tor Vergata"  Roma (Italy)
  • Dr. Margherita Marsili, Dipartimento di Fisica, Universitą di Roma "Tor Vergata"  Roma (Italy)
  • Dr. Mariella Ippolito, CASPUR (Inter-University Consortium for the Application of SuperComputing for Universities and Research) , Roma (Italy)
  • Dr. Stefan Janz, Fraunhofer-Institut für Solare Energiesysteme ISE, München (Germany)
  • Dr. Blas Garrido Fernandez, Department of Electronics, University of Barcelona, Barcelona (Spain)
  • Dr. Salvatore Lombardo, STMicroelectronics, Catania (Italy)
  • Dr. Jan Valenta, Charles, Department of Chemical Physics and Optics, University in Prague, Prague (Czech Republic)
  • Prof. Margit Zacharias, IMTEK, University of Freiburg, Freiburg (Germany)
  • AZUR SPACE Solar Power GmbH, Heilbronn (Germany)
  • Dr. Caterina Summonte, CNR-IMM, Bologna (Italy)

Scientific Highlights:
  • Band-offset driven efficiency of the doping of SiGe core-shell nanowires
    M. Amato, S. Ossicini, R. Rurali, NANO LETTERS 2011, 11 Pages: 594 - 598
  • Size, oxidation, and strain in small Si/SiO2 nanocrystals
    R. Guerra, E. Degoli, S. Ossicini PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. 2009 , 80 Pages: 1553
  • Structural, Electronic and Surface Properties of Anatase TiO2 Nanocrystals from First Principles
    A. Iacomino, G. Cantele, D. Ninno, I. Marri, S. Ossicini PHYSICAL REVIEW. B, CONDENSED MATTER AND MATERIALS PHYSICS. 2008 , 78 Pages: 0754

Computational Packages:

Quantum Espresso
Siesta, TranSiesta
Yambo