Using Fe/GaAs Schottky tunnel barriers as electrical spin detectors, we show that the magnitude and sign of their spin-detection sensitivities can be widely tuned with the voltage bias applied across the Fe/GaAs interface. Experiments and theory esta
blish that this tunability derives not just simply from the bias dependence of the tunneling conductances $G_{uparrow,downarrow}$ (a property of the interface), but also from the bias dependence of electric fields in the semiconductor which can dramatically enhance or suppress spin-detection sensitivities. Electrons in GaAs with fixed polarization can therefore be made to induce either positive or negative voltage changes at spin detectors, and some detector sensitivities can be enhanced over ten-fold compared to the usual case of zero-bias spin detection.
We present results for the electronic structure of plutonium by using a recently developed quasiparticle self-consistent $GW$ method (qsgw). We consider a paramagnetic solution without spin-orbit interaction as a function of volume for the face-cente
red cubic (fcc) unit cell. We span unit-cell volumes ranging from 10% greater than the equilibrium volume of the $delta$ phase to 90 % of the equivalent for the $alpha$ phase of Pu. The self-consistent $GW$ quasiparticle energies are compared to those obtained within the Local Density Approximation (LDA). The goal of the calculations is to understand systematic trends in the effects of electronic correlations on the quasiparticle energy bands of Pu as a function of the localization of the $f$ orbitals. We show that correlation effects narrow the $f$ bands in two significantly different ways. Besides the expected narrowing of individual $f$ bands (flatter dispersion), we find that an even more significant effect on the $f$ bands is a decrease in the crystal-field splitting of the different bands.
We consider the magnetic structure on the Fe(001) surface and theoretically study the scanning tunneling spectroscopy using a spin-polarized tip (SP-STM). We show that minority-spin surface states induce a strong bias dependence of the tunneling diff
erential conductance which largely depends on the orientation of the magnetization in the SP-STM tip relative to the easy magnetization axis in the Fe(001) surface. We propose to use this effect in order to determine the spin character of the Fe(001) surface states. This technique can be applied also to other magnetic surfaces in which surface states are observed.
We present a theoretical model that describes electrical spin-detection at a ferromagnet/semiconductor interface. We show that the sensitivity of the spin detector has strong bias dependence which, in the general case, is dramatically different from
that of the tunneling current spin polarization. We show that this bias dependence originates from two distinct physical mechanisms: 1) the bias dependence of tunneling current spin polarization, which is of microscopic origin and depends on the specific properties of the interface, and 2) the macroscopic electron spin transport properties in the semiconductor. Numerical results show that the magnitude of the voltage signal can be tuned over a wide range from the second effect which suggests a universal method for enhancing electrical spin-detection sensitivity in ferromagnet/semiconductor tunnel contacts. Using first-principles calculations we examine the particular case of a Fe/GaAs Schottky tunnel barrier and find very good agreement with experiment. We also predict the bias dependence of the voltage signal for a Fe/MgO/GaAs tunnel structure spin detector.
We use a recently developed self-consistent GW approximation to present first principles calculations of the conduction band spin splitting in GaAs under [110] strain. The spin orbit interaction is taken into account as a perturbation to the scalar r
elativistic hamiltonian. These are the first calculations of conduction band spin splitting under deformation based on a quasiparticle approach; and because the self-consistent GW scheme accurately reproduces the relevant band parameters, it is expected to be a reliable predictor of spin splittings. We also discuss the spin relaxation time under [110] strain and show that it exhibits an in-plane anisotropy, which can be exploited to obtain the magnitude and sign of the conduction band spin splitting experimentally.
We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbital electron-electron interactions in an actinide has been treated by a
first-principles method beyond the level of the generalized gradient approximation (GGA) to the local density approximation (LDA). We show that the QSGW approximation predicts an f-level shift upwards of about 0.5 eV with respect to the other metallic s-d states and that there is a significant f-band narrowing when compared to LDA band-structure results. Nonetheless, because of the overall low f-electron occupation number in uranium, ground-state properties and the occupied band structure around the Fermi energy is not significantly affected. The correlations predominate in the unoccupied part of the f states. This provides the first formal justification for the success of LDA and GGA calculations in describing the ground-state properties of this material.
A minority-spin resonant state at the Fe/GaAs(001) interface is predicted to reverse the spin polarization with voltage bias of electrons transmitted across this interface. Using a Greens function approach within the local spin density approximation
we calculate spin-dependent current in a Fe/GaAs/Cu tunnel junction as a function of applied bias voltage. We find a change in sign of the spin polarization of tunneling electrons with bias voltage due to the interface minority-spin resonance. This result explains recent experimental data on spin injection in Fe/GaAs contacts and on tunneling magnetoresistance in Fe/GaAs/Fe magnetic tunnel junctions.
