Electronic structure induced reconstruction and magnetic ordering at the LaAlO3∣_3|SrTiO3_3 interface

Using local density approximation (LDA) calculations we predict GdFeO$_3$-like rotation of TiO$_6$ octahedra at the $n$-type interface between LaAlO$_3$ and SrTiO$_3$. The narrowing of the Ti $d$ bandwidth which results means that for very modest values of $U$, LDA$+U$ calculations predict charge and spin ordering at the interface. Recent experimental evidence for magnetic interface ordering may be understood in terms of the close proximity of an antiferromagnetic insulating ground state to a ferromagnetic metallic excited state

Spin-injection through an Fe/InAs Interface

The spin-dependence of the interface resistance between ferromagnetic Fe and InAs is calculated from first-principles for specular and disordered (001) interfaces. Because of the symmetry mismatch in the minority-spin channel, the specular interface acts as an efficient spin filter with a transmitted current polarisation between 98 an 89%. The resistance of a specular interface in the diffusive regime is comparable to the resistance of a few microns of bulk InAs. Symmetry-breaking arising from interface disorder reduces the spin asymmetry substantially and we conclude that efficient spin injection from Fe into InAs can only be realized using high quality epitaxial interfaces.Comment: 4 pages, 4 figure

Induced superfluidity of imbalanced Fermi gases near unitarity

The induced intraspecies interactions among the majority species, mediated by the minority species, is computed for a population-imbalanced two-component Fermi gas. Although the Feshbach-resonance mediated interspecies interaction is dominant for equal populations, leading to singlet s-wave pairing, we find that in the strongly imbalanced regime the induced intraspecies interaction leads to p-wave pairing and superfluidity of the majority species. Thus, we predict that the observed spin-polaron Fermi liquid state in this regime is unstable to p-wave superfluidity, in accordance with the results of Kohn and Luttinger, below a temperature that, near unitarity, we find to be within current experimental capabilities. Possible experimental signatures of the p-wave state using radio-frequency spectroscopy as well as density-density correlations after free expansion are presented.Comment: 15 pages, 13 figures, submitted to Phys. Rev.

Quenching of Spin Hall Effect in Ballistic nano-junctions

We show that a nanometric four-probe ballistic junction can be used to check the presence of a transverse spin Hall current in a system with a Spin Orbit coupling not of the Rashba type, but rather due to the in-plane electric field. Indeed, the spin Hall effect is due to the presence of an effective small transverse magnetic field corresponding to the Spin Orbit coupling generated by the confining potential. The strength of the field and the junction shape characterize the quenching Hall regime, usually studied by applying semi-classical approaches. We discuss how a quantum mechanical relativistic effect, such as the Spin Orbit one, can be observed in a low energy system and explained by using classical mechanics techniques.Comment: 5 pages, 4 figures, PACS: 72.25.-b, 72.20.My, 73.50.Jt, to appear in Phys. Rev.

Interface resistance of disordered magnetic multilayers

We study the effect of interface disorder on the spin-dependent interface resistances of Co/Cu, Fe/Cr and Au/Ag multilayers using a newly developed method for calculating transmission matrices from first-principles. The efficient implementation using tight-binding linear-muffin-tin orbitals allows us to model interface disorder using large lateral supercells whereby specular and diffuse scattering are treated on an equal footing. Without introducing any free parameters, quantitative agreement with experiment is obtained. We predict that disorder {\it reduces} the majority-spin interface resistance of Fe/Cr(100) multilayers by a factor 3.Comment: 5 pages, 2 figures, submitted to PR

Tubulin bond energies and microtubule biomechanics determined from nanoindentation in silico

Microtubules, the primary components of the chromosome segregation machinery, are stabilized by longitudinal and lateral non-covalent bonds between the tubulin subunits. However, the thermodynamics of these bonds and the microtubule physico-chemical properties are poorly understood. Here, we explore the biomechanics of microtubule polymers using multiscale computational modeling and nanoindentations in silico of a contiguous microtubule fragment. A close match between the simulated and experimental force-deformation spectra enabled us to correlate the microtubule biomechanics with dynamic structural transitions at the nanoscale. Our mechanical testing revealed that the compressed MT behaves as a system of rigid elements interconnected through a network of lateral and longitudinal elastic bonds. The initial regime of continuous elastic deformation of the microtubule is followed by the transition regime, during which the microtubule lattice undergoes discrete structural changes, which include first the reversible dissociation of lateral bonds followed by irreversible dissociation of the longitudinal bonds. We have determined the free energies of dissociation of the lateral (6.9+/-0.4 kcal/mol) and longitudinal (14.9+/-1.5 kcal/mol) tubulin-tubulin bonds. These values in conjunction with the large flexural rigidity of tubulin protofilaments obtained (18,000-26,000 pN*nm^2), support the idea that the disassembling microtubule is capable of generating a large mechanical force to move chromosomes during cell division. Our computational modeling offers a comprehensive quantitative platform to link molecular tubulin characteristics with the physiological behavior of microtubules. The developed in silico nanoindentation method provides a powerful tool for the exploration of biomechanical properties of other cytoskeletal and multiprotein assemblie

Wide energy-window view on the density of states and hole mobility of poly(p-phenylene vinylene)

Using an electrochemically gated transistor, we achieved controlled and reversible doping of poly(p-phenylene vinylene) in a large concentration range. Our data open a wide energy-window view on the density of states (DOS) and show, for the first time, that the core of the DOS function is Gaussian, while the low-energy tail has a more complex structure. The hole mobility increases by more than four orders of magnitude when the electrochemical potential is scanned through the DOS.Comment: 4 pages, 4 figure

Spin Hall Effect and Spin Orbit coupling in Ballistic Nanojunctions

We propose a new scheme of spin filtering based on nanometric crossjunctions in the presence of Spin Orbit interaction, employing ballistic nanojunctions patterned in a two-dimensional electron gas. We demonstrate that the flow of a longitudinal unpolarized current through a ballistic X junction patterned in a two-dimensional electron gas with Spin Orbit coupling (SOC) induces a spin accumulation which has opposite signs for the two lateral probes. This spin accumulation, corresponding to a transverse pure spin current flowing in the junction, is the main observable signature of the spin Hall effect in such nanostructures. We benchmark the effects of two different kinds of Spin Orbit interactions. The first one ($\alpha$-SOC) is due to the interface electric field that confines electrons to a two-dimensional layer, whereas the second one ($\beta$-SOC) corresponds to the interaction generated by a lateral confining potential.Comment: 6 pages, 3 figure

A unified first-principles study of Gilbert damping, spin-flip diffusion and resistivity in transition metal alloys

Using a formulation of first-principles scattering theory that includes disorder and spin-orbit coupling on an equal footing, we calculate the resistivity $\rho$, spin flip diffusion length $l_{sf}$ and the Gilbert damping parameter $\alpha$ for Ni$_{1-x}$Fe$_x$ substitutional alloys as a function of $x$. For the technologically important Ni$_{80}$Fe$_{20}$ alloy, permalloy, we calculate values of $\rho = 3.5 \pm 0.15$ $\mu$Ohm-cm, $l_{sf}=5.5 \pm 0.3$ nm, and $\alpha= 0.0046 \pm 0.0001$ compared to experimental low-temperature values in the range $4.2-4.8$ $\mu$Ohm-cm for $\rho$, $5.0-6.0$ nm for $l_{sf}$, and $0.004-0.013$ for $\alpha$ indicating that the theoretical formalism captures the most important contributions to these parameters.Comment: Published in Physical Review Letter