Now showing items 1-4 of 4

    • Formation and functionalization of boron phosphide monolayers 

      Hallıoğlu, Lütfiye (Bilkent University, 2015-09)
      Since the synthesis of graphene with its unique properties has increased the focus on novel two dimensional (2D) materials, successively new 2D materials from either layered or non-layered materials have been synthesized ...
    • Gate induced monolayer behavior in twisted bilayer black phosphorus 

      Sevik, C.; Wallbank, J. R.; Gülseren, O.; Peeters, F. M.; Çakir, D. (IOP Publishing, 2017)
      Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the ...
    • Oscillatory exchange coupling in magnetic molecules 

      Sevincli, H.; Senger, R. T.; Durgun, E.; Çıracı, Salim (IOP Publishing, 2007)
      Recently, first-principles calculations based on the spin-dependent density functional theory (DFT) have revealed that the magnetic ground state of a finite linear carbon chain capped by two transition metal (TM) atoms ...
    • A theoretical study on silicon and III-V compound nanotubes 

      Durgun, E.; Çiraci, S. (2005)
      In this paper we present a theoretical study on single-wall silicon and III-V compound nanotubes. First principles plane wave calculations within density functional theory are used to predict energetics and electronic ...