Research in CENT Group

CENT (Computational & Experimental NanoTechnology) Group led by Dr. Hasan Sahin conducts theoretical and experimental research to identify and understand the fundamental physical mechanisms underlying the surface, interface and transport behavior of crystals and molecular materials. For theoretical investigation of Electronic, Magnetic, Optical, Vibrational and Quantum Transport properties of structures we use state-of-the-art DFT approaches. Team members has a solid expertise on the softwares based on Density Functional Theory. For deeper understanding of experimental results obtained by our collaborators and for experimental realization of our theoretical predictions we also perform collaborative studies with experimentalists.

Theoretical Methods

  • Raman and IR Spectrum
    We perform phonon calculations for determination of characterstic Raman and IR spectrum
  • Electronic Properties
    Band Dispersion, HOMO-LUMO levels, Fermi Energy, Workfunction, Charge Transfer
  • Magnetism
    Determination of magnetic ordering by computational tools. Magnetic Anisotropy and Spintronics.
  • Mechanical Properties
    Computing Bulk Modulus, Youngs Modulus, Stiffness, Fracturation, Yield Strain and Strain-dependent Properties

Experimental Techniques

  • Raman Spectrometer
    Determination of phononic characteristics and thickness dependent vibrational properties of nanoscale materials
  • Atomic Force Microscope
    Synthesis of 2D Crystals by Mechanical Exfoliation, Sonication and Growth Techniques
  • Photoluminescence
    Measuring the PL and absorption spectrum

Materials of Interest

  • Graphene
    Nanoribbons, Dots, Heterostructures
  • Perovskites
    CsPbBr3, CH3NH3PbI3, BaTiO3
  • Transition Metal Chalcogenides
    MoS2, WS2, ReS2,
  • Metal Hydroxides
    Mg(OH)2, Ca(OH)2
  • Bulk and Polymers
    ZnO, P3HT
  • Heterostructures
    vand der Waals Bilayers and encapsulated Perovskites