Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: First-principles investigation of spin polarized conductance in atomic
  carbon wire   We analyze spin-dependent energetics and conductance for one dimensional (1D)
atomic carbon wires consisting of terminal magnetic (Co) and interior
nonmagnetic (C) atoms sandwiched between gold electrodes, obtained employing
first-principles gradient corrected density functional theory and Landauer's
formalism for conductance. Wires containing an even number of interior carbon
atoms are found to be acetylenic with sigma-pi bonding patterns, while cumulene
structures are seen in wires containing odd number of interior carbon atoms, as
a result of strong pi-conjugation. Ground states of carbon wires containing up
to 13 C atoms are found to have anti-parallel spin configurations of the two
terminal Co atoms, while the 14 C wire has a parallel Co spin configuration in
the ground state. The stability of the anti-ferromagnetic state in the wires is
ascribed to a super-exchange effect. For the cumulenic wires this effect is
constant for all wire lengths. For the acetylenic wires, the super-exchange
effect diminishes as the wire length increases, going to zero for the atomic
wire containing 14 carbon atoms. Conductance calculations at the zero bias
limit show spin-valve behavior, with the parallel Co spin configuration state
giving higher conductance than the corresponding anti-parallel state, and a
non-monotonic variation of conductance with the length of the wires for both
spin configurations.

14
The categories of this paper are: math-ph
35
The categories of this paper are: mtrl-th
32
The categories of this paper are: atom-ph
13
The categories of this paper are: quant-ph
1
The categories of this paper are: cs
20
The categories of this paper are: acc-phys
17
The categories of this paper are: q-fin
10
The categories of this paper are: q-bio
29
The categories of this paper are: funct-an
37
The categories of this paper are: supr-con
30
The categories of this paper are: q-alg
3
The categories of this paper are: physics
27
The categories of this paper are: comp-gas
9
The categories of this paper are: nlin
12
The categories of this paper are: nucl-th
23
The categories of this paper are: solv-int