Ballistic Spin Injection from Fe into ZnSe and GaAs with a (001), (111), and (110) orientation

We present first-principles calculations of ballistic spin injection in Fe/GaAs and Fe/ZnSe junctions with orientation (001), (111), and (110). We find that the symmetry mismatch of the Fe minority-spin states with the semiconductor conduction states can lead to extremely high spin polarization of the current through the (001) interface for hot and thermal injection processes. Such a symmetry mismatch does not exist for the (111) and (110) interfaces, where smaller spin injection efficiencies are found. The presence of interface states is found to lower the current spin polarization, both with and without a Schottky barrier. Finally, a higher bias can also affect the spin injection efficiency.Comment: 12 pages, 18 figure

Introduction to half-metallic Heusler alloys: Electronic Structure and Magnetic Properties

Intermetallic Heusler alloys are amongst the most attractive half-metallic systems due to the high Curie temperatures and the structural similarity to the binary semiconductors. In this review we present an overview of the basic electronic and magnetic properties of both Heusler families: the so-called half-Heusler alloys like NiMnSb and the the full-Heusler alloys like Co$_2$MnGe. \textit{Ab-initio} results suggest that both the electronic and magnetic properties in these compounds are intrinsically related to the appearance of the minority-spin gap. The total spin magnetic moment $M_t$ scales linearly with the number of the valence electrons $Z_t$, such that $M_t=Z_t-24$ for the full-Heusler and $M_t=Z_t-18$ for the half-Heusler alloys, thus opening the way to engineer new half-metallic alloys with the desired magnetic properties.Comment: 28 pages, submitted for a special issue of 'Journal of Physics D: Applied Physics' on Heusler alloy

The effect of the spin-orbit interaction on the band gap of half-metals

The spin-orbit interaction can cause a nonvanishing density of states (DOS) within the minority-spin band gap of half-metals around the Fermi level. We examine the magnitude of the effect in Heusler alloys, zinc-blende half metals and diluted magnetic semiconductors, using first-principles calculations. We find that the ratio of spin-down to spin-up DOS at the Fermi level can range from below 1% (e.g. 0.5% for NiMnSb) over several percents (4.2% for (Ga,Mn)As) to 13% for MnBi.Comment: 5 pages, 3 figure

Korringa-Kohn-Rostoker Green-function formalism for ballistic transport

We develop a method for the calculation of ballistic transport from first principles. The multiple scattering screened Korringa-Kohn-Rostoker (KKR) method is combined with a Green-function formulation of the Landauer approach for the ballistic transport. We obtain an efficient O(N) algorithm for the calculation of ballistic conductance through a scattering region connected to semi-infinite crystalline leads. In particular we generalize the results of Baranger and Stone in the case of Bloch wave boundary conditions and, we discuss relevant properties of the S matrix. We consider the implications on the application of the formalism in conjunction with a cellular multiple scattering description of the electronic structure; and demonstrate the convergence properties concerning the angular momentum expansions

Importance of complex band structure and resonant states for tunneling

The paper aims at understanding the tunneling process in epitaxial magnetic tunnel junctions. Firstly, we stress the importance of the complex band structure of the insulator for the tunneling of the metal electrons. For large insulator thicknesses the tunneling current is carried by very few states, i.e., those states in the gap of the semiconductor having the smallest imaginary component of the k-vector. In the case of GaAs, ZnSe and MgO these are Delta(1)-states at the Gamma-point. Secondly, we discuss the role of resonant interface states for tunneling. Based on simple model calculations and ab initio results we demonstrate that for symmetrical barriers the minority conductance can be dominated in an intermediate thickness range by few 'hot spots' in the surface Brillouin zone, arising from resonant interface states. In these hot spots full transmission can still be obtained, when all other states are already strongly attenuated, so that the usual exponential decay can be considerably delayed. (C) 2002 Elsevier Science B.V. All rights reserved

Importance of complex band structure and resonant states for tunneling

The paper aims at understanding the tunneling process in epitaxial magnetic tunnel junctions. Firstly, we stress the importance of the complex band structure of the insulator for the tunneling of the metal electrons. For large insulator thicknesses the tunneling current is carried by very few states, i.e., those states in the gap of the semiconductor having the smallest imaginary component of the k-vector. In the case of GaAs, ZnSe and MgO these are Delta(1)-states at the Gamma-point. Secondly, we discuss the role of resonant interface states for tunneling. Based on simple model calculations and ab initio results we demonstrate that for symmetrical barriers the minority conductance can be dominated in an intermediate thickness range by few 'hot spots' in the surface Brillouin zone, arising from resonant interface states. In these hot spots full transmission can still be obtained, when all other states are already strongly attenuated, so that the usual exponential decay can be considerably delayed. (C) 2002 Elsevier Science B.V. All rights reserved