Now showing items 1-2 of 2

    • Ab initio study of hydrogenic effective mass impurities in Si nanowires 

      Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D. I.; Ghosez, P.; Van De Walle C. G.; Peeters, F. M. (Institute of Physics Publishing, 2017-01)
      The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly ...
    • Structural and electronic properties of carbon-based materials 

      Kılıç, Çetin (Bilkent University, 2000)
      In this thesis, some carbon-based materials in nano scale have been investigated by using first-principles methods as well as transferable tight-binding and empirical potential models. The focus of interest has been in ...