Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: One-dimensional ballistic transport with FLAPW Wannier functions   We present an implementation of the ballistic Landauer-B\"uttiker transport
scheme in one-dimensional systems based on density functional theory (DFT)
calculations within the full-potential linearized augmented plane-wave (FLAPW)
method. In order to calculate the conductance within the Green's function
method we map the electronic structure from the extended states of the FLAPW
calculation to Wannier functions which constitute a minimal localized basis
set. Our approach benefits from the high accuracy of the underlying FLAPW
calculations allowing us to address the complex interplay of structure,
magnetism, and spin-orbit coupling and is ideally suited to study
spin-dependent electronic transport in one-dimensional magnetic nanostructures.
To illustrate our approach we study ballistic electron transport in
non-magnetic Pt monowires with a single stretched bond including spin-orbit
coupling, and in ferromagnetic Co monowires with different collinear magnetic
alignment of the electrodes with the purpose of analysing the magnetoresistance
when going from tunneling to the contact regime. We further investigate
spin-orbit scattering due to an impurity atom. We consider two configurations:
a Co atom in a Pt monowire and vice versa. In both cases, the spin-orbit
induced band mixing leads to a change of the conductance upon switching the
magnetization direction from along the chain axis to perpendicular to it. The
main contribution stems from ballistic spin-scattering for the magnetic Co
impurity in the non-magnetic Pt monowire and for the Pt scatterer in the
magnetic Co monowire from the band formed from states with $d_{xy}$ and
$d_{x^2-y^2}$ orbital symmetry. We quantify this effect by calculating the
ballistic anisotropic magnetoresistance which displays values up to as much as
7% for ballistic spin-scattering and gigantic values of around 100% for the Pt
impurity in the Co wire.

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The categories of this paper are: dg-ga
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The categories of this paper are: physics
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The categories of this paper are: hep-ex
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The categories of this paper are: hep-lat
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The categories of this paper are: comp-gas
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The categories of this paper are: nucl-ex
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The categories of this paper are: quant-ph
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The categories of this paper are: q-alg
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The categories of this paper are: cmp-lg
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The categories of this paper are: hep-th
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The categories of this paper are: supr-con
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The categories of this paper are: q-fin
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The categories of this paper are: hep-ph
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The categories of this paper are: chao-dyn
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The categories of this paper are: solv-int
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The categories of this paper are: cs