Now showing items 1-11 of 11

    • An atomistic study on the stretching of nanowires 

      Mehrez, H.; Çıracı, Salim; Fong, C. Y.; Erkoç, Ş. (1997)
      In this work we present an atomic-scale investigation of elastic and plastic deformation, and force variations in metal nanowires that are pulled from their ends. The atomic simulations are performed by using a molecular ...
    • Conductance in nanowires 

      Mehrez, H.; Çıracı, Salim (Kluwer Academic Publishers, 1997)
      This paper presents a detailed analysis of conductance and atomic structure in metal nanowires under tensile stress. We calculate the variation of conductance with the crossection of the constriction between two reservoirs, ...
    • Conductance of ferromagnetic nanowires 

      Mehrez, H.; Çıracı, Salim (American Physical Society, 1998)
      The conductance distribution obtained from an ensemble of stretching ferromagnetic nanowires or point contacts do not exhibit peaks near the integer multiples of 2e2/h. This observation has been interpreted as the absence ...
    • Conductance through a single atom 

      Mehrez, H.; Çıracı, Salim; Buldum, A.; Batra, I. P. (American Physical Society, 1997)
      In this paper we present an analysis of conduction through a single atom between two metal electrodes. Based on ab initio total-energy and electronic-structure calculations, and molecular-dynamics simulations using the ...
    • Conductance through atomic contacts created by scanning tunneling microscopy 

      Kiliç, Ç.; Mehrez, H.; Çıracı, Salim; Batra, I. P. (Elsevier, 1999)
      We investigate conductance through contacts created by pressing a hard tip, as used in scanning tunneling microscopy, against substrates. Two different substrates are considered, one a normal metal (Cu) and another a ...
    • A First-principles Study of the Structure and Dynamics of C8H8, Si8H8, and Ge8H8 Molecules 

      Kiliç, Ç.; Yildirim, T.; Mehrez, H.; Çıracı, Salim (American Chemical Society, 2000)
      We present a first-principles study to elucidate the nature of the bonding, stability, energetics, and dynamics of individual X8H8 molecules (X = C, Si, Ge). The results obtained from both "local basis" and "pseudopotential" ...
    • Nanospintronic properties of carbon-cobalt atomic chains 

      Durgun, Engin; Senger, R. T.; Mehrez, H.; Dag, S.; Çıracı, Salim (EDP Sciences, 2006)
      Periodic atom chains of carbon-cobalt compounds, (CnCo) ∞, comprise both conducting and insulating electronic properties simultaneously depending on the spin type of electrons, and hence are half-metals. Their band gap and ...
    • Quantum point contact on graphite surface 

      Kiliç, Ç.; Mehrez, H.; Çıracı, Salim (American Physical Society, 1998)
      The conductance through a quantum point contact created by a sharp and hard metal tip on the graphite surface has features which to our knowledge have not been encountered so far in metal contacts or in nanowires. In this ...
    • Size-dependent alternation of magnetoresistive properties in atomic chains 

      Durgun, Engin; Senger, R. T.; Mehrez, H.; Sevinçli, H.; Çıracı, Salim (American Institute of Physics, 2006)
      Spin-polarized electronic and transport properties of carbon atomic chains are investigated when they are capped with magnetic transition-metal (TM) atoms like Cr or Co. The magnetic ground state of the TM-C n-TM chains ...
    • Spintronic properties of carbon-based one-dimensional molecular structures 

      Durgun, Engin; Senger, R. T.; Sevinçli, H.; Mehrez, H.; Çıracı, Salim (American Physical Society, 2006)
      In this paper we present an extensive study of the electronic, magnetic, and transport properties of finite and infinite periodic atomic chains composed of carbon atoms and 3d transition metal (TM) atoms using first-principles ...
    • Yielding and fracture mechanisms of nanowires 

      Mehrez, H.; Çıracı, Salim (American Physical Society, 1997)
      This paper presents a detailed analysis of atomic structure and force variations in metal nanowires under tensile strain. Our work is based on state of the art molecular dynamics simulations and ab initio self-consistent ...