5 research outputs found
Quantum point contact on graphite surface
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 paper we
first investigate these features which emerge from the strongly directional
bonding and electronic structure of graphite, and provide a theoretical
understanding for the electronic conduction through quantum point contacts. Our
study involves the molecular-dynamics simulations to reveal the variation of
interlayer distances and atomic structure at the proximity of the contact that
evolves by the tip pressing toward the surface. The effects of the elastic
deformation on the electronic structure, state density at the Fermi level, and
crystal potential are analyzed by performing self-consistent-field
pseudopotential calculations within the local-density approximation. It is
found that the metallicity of graphite increases under the uniaxial compressive
strain perpendicular to the basal plane. The quantum point contact is modeled
by a constriction with a realistic potential. The conductance is calculated by
representing the current transporting states in Laue representation, and the
variation of conductance with the evolution of contact is explained by taking
the characteristic features of graphite into account. It is shown that the
sequential puncturing of the layers characterizes the conductance.Comment: LaTeX, 11 pages, 9 figures (included), to be published in Phys. Rev.
B, tentatively scheduled for 15 September 1998 (Volume 58, Number 12