Bulletin of the American Physical Society
APS March Meeting 2011
Volume 56, Number 1
Monday–Friday, March 21–25, 2011; Dallas, Texas
Abstract: C1.00108 : Transport Characteristics of Amorphous Borocarbides: A Variable Range Hopping Treatment
Author:
We calculate the temperature dependent conductivity of
amorphous borocarbide materials within a variable range hopping
framework. We study the impact of disorder on borocarbide
transport characteristics by beginning with a regular
rombahedral lattice of periodically placed icosahedral
arrangements of boron and carbon atomic species. A self
consistent numerical procedure is used to calculate the charge
occupancy factors. Three dimensional lattices containing
several hundred icosahedral clusters are considered; disorder
is introduced in the form of random translational displacements
of the icosahedral cages. In addition, we use stochastic
rotations about three independent randomly selected axes to
implement orientational disorder for each of the icosahedral
clusters. We find the sensitivity to random lateral
displacements of the boron-carbon icosahedra to be on the order
of 5\%, whereas the effects of even appreciable orientational
disorder appears to be negligible within the assumptions of our
model. In sum, we find temperature and the density of
icosahedral clusters to have the strongest effect on the
conductivity, while the transport characteristics are largely
robust with respect to the introduction of disorder.
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2011.MAR.C1.108
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