Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Theoretical investigation of spin-filtering in CrAs / GaAs
  heterostructures   The electronic structure of bulk fcc GaAs, fcc and tetragonal CrAs, and
CrAs/GaAs supercells, computed within LMTO local spin-density functional
theory, is used to extract the band alignment (band offset) for the [1,0,0]
GaAs/CrAs interface in dependence of the spin orientation. With the lateral
lattice constant fixed to the experimental bulk GaAs value, a local energy
minimum is found for a tetragonal CrAs unit cell with a slightly ($\approx$ 2%)
reduced longitudinal ([1,0,0]) lattice constant. Due to the identified
spin-dependent band alignment, half-metallicity of CrAs no longer is a key
requirement for spin-filtering. Encouraged by these findings, we study the
spin-dependent tunneling current in [1,0,0] GaAs/CrAs/GaAs heterostructures
within the non-equilibrium Green's function approach for an effective
tight-binding Hamiltonian derived from the LMTO electronic structure. Results
indicate that these heterostructures are probable candidates for efficient
room-temperature all-semiconductor spin-filtering devices.

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The categories of this paper are: physics
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The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
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The categories of this paper are: q-alg
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The categories of this paper are: hep-lat
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The categories of this paper are: alg-geom
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The categories of this paper are: q-fin
36
The categories of this paper are: cmp-lg
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The categories of this paper are: solv-int
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The categories of this paper are: hep-ph
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The categories of this paper are: econ
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The categories of this paper are: hep-th
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The categories of this paper are: quant-ph
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The categories of this paper are: math
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The categories of this paper are: cs
32
The categories of this paper are: atom-ph