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The electronic and magnetic properties of Fe/GaAs(001) magnetic junctions areinvestigated using first-principles density-functional calculations. Abrupt andintermixed interfaces are considered, and the dependence of charge transfer,magnetization profiles, Schottky barrier heights, and spin polarization ofdensities of states on interface structure is studied. With As-termination, anabrupt interface with Fe is favored, while Ga-terminated GaAs favors theformation of an intermixed layer with Fe. The Schottky barrier heights areparticularly sensitive to the abruptness of the interface. A significantdensity of states in the semiconducting gap arises from metal interface states.These spin-dependent interface states lead to a significant minority spinpolarization of the density of states at the Fermi level that persists wellinto the semiconductor, providing a channel for the tunneling of minority spinsthrough the Schottky barrier. These interface-induced gap states and theirdependence on atomic structure at the interface are discussed in connectionwith potential spin-injection applications.Comment: 9 pages, 9 figures, to appear in PR

physical review. b, condensed matter and materials physics

Influence of interface structure on electronic properties and Schottky barriers in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>Fe</mml:mi><mml:mo>∕</mml:mo><mml:mi>GaAs</mml:mi></mml:mrow></mml:math>magnetic junctions

Influence of interface structure on electronic properties and Schottky barriers inFe∕GaAsmagnetic junctions