Magnetic Phase Control in Monolayer Films by Substrate Tuning

We propose to tailor exchange interactions in magnetic monolayer films by tuning the adjacent non-magnetic substrate. As an example, we demonstrate a ferromagnetic-antiferromagnetic phase transition for one monolayer Fe on a Ta(x)W(1-x)(001) surface as a function of the Ta concentration. At the critical Ta concentration, the nearest-neighbor exchange interaction is small and the magnetic phase space is dramatically broadened. Complex magnetic order such as spin-spirals, multiple-Q, or even disordered local moment states can occur, offering the possibility to store information in terms of ferromagnetic dots in an otherwise zero-magnetization state matrix.Comment: after minor changes, 5 pages, 5 figures, revtex

Efficient, sparse representation of manifold distance matrices for classical scaling

Geodesic distance matrices can reveal shape properties that are largely invariant to non-rigid deformations, and thus are often used to analyze and represent 3-D shapes. However, these matrices grow quadratically with the number of points. Thus for large point sets it is common to use a low-rank approximation to the distance matrix, which fits in memory and can be efficiently analyzed using methods such as multidimensional scaling (MDS). In this paper we present a novel sparse method for efficiently representing geodesic distance matrices using biharmonic interpolation. This method exploits knowledge of the data manifold to learn a sparse interpolation operator that approximates distances using a subset of points. We show that our method is 2x faster and uses 20x less memory than current leading methods for solving MDS on large point sets, with similar quality. This enables analyses of large point sets that were previously infeasible.Comment: Conference CVPR 201

Magnetism of mixed quaternary Heusler alloys: (Ni,T)2_{2}MnSn (T=Cu,Pd) as a case study

The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio} calculations over the entire range of dopant concentrations. While the magnetic moments are only weakly dependent on the alloy composition, the Curie temperatures exhibit strongly non-linear behavior with respect to Cu-doping in contrast with an almost linear concentration dependence in the case of Pd-doping. The present parameter-free theory agrees qualitatively and also reasonably well quantitatively with the available experimental results. An analysis of exchange interactions is provided for a deeper understanding of the problem. The dopant atoms perturb electronic structure close to the Fermi energy only weakly and the residual resistivity thus obeys a simple Nordheim rule. The dominating contribution to the temperature-dependent resistivity is due to thermodynamical fluctuations originating from the spin-disorder, which, according to our calculations, can be described successfully via the disordered local moments model. Results based on this model agree fairly well with the measured values of spin-disorder induced resistivity.Comment: 13 pages, 13 figure

Magnetism of 3d transition metal atoms on W(001): submonolayer films

We have investigated random submonolayer films of 3d transition metals on W(001). The tight-binding linear muffin-tin orbital method combined with the coherent potential approximation was employed to calculate the electronic structure of the films. We have estimated local magnetic moments and the stability of different magnetic structures, namely the ferromagnetic order, the disordered local moments and the non-magnetic state, by comparing the total energies of the corresponding systems. It has been found that the magnetic moments of V and Cr decrease and eventually disappear with decreasing coverage. On the other hand, Fe retains approximately the same magnetic moment throughout the whole concentration range from a single impurity to the monolayer coverage. Mn is an intermediate case between Cr and Fe since it is non-magnetic at very low coverages and ferromagnetic otherwise.Comment: 5 pages, 3 figures in 6 files; presented at ICN&T 2006, Basel, Switzerlan

Approximations of singular vertex couplings in quantum graphs

We discuss approximations of the vertex coupling on a star-shaped quantum graph of $n$ edges in the singular case when the wave functions are not continuous at the vertex and no edge-permutation symmetry is present. It is shown that the Cheon-Shigehara technique using $\delta$ interactions with nonlinearly scaled couplings yields a $2n$-parameter family of boundary conditions in the sense of norm resolvent topology. Moreover, using graphs with additional edges one can approximate the ${n+1\choose 2}$-parameter family of all time-reversal invariant couplings.Comment: LaTeX source file, 33 pages, with 3 eps figure

Conductance calculations for quantum wires and interfaces: mode matching and Green functions

Landauer's formula relates the conductance of a quantum wire or interface to transmission probabilities. Total transmission probabilities are frequently calculated using Green function techniques and an expression first derived by Caroli. Alternatively, partial transmission probabilities can be calculated from the scattering wave functions that are obtained by matching the wave functions in the scattering region to the Bloch modes of ideal bulk leads. An elegant technique for doing this, formulated originally by Ando, is here generalized to any Hamiltonian that can be represented in tight-binding form. A more compact expression for the transmission matrix elements is derived and it is shown how all the Green function results can be derived from the mode matching technique. We illustrate this for a simple model which can be studied analytically, and for an Fe|vacuum|Fe tunnel junction which we study using first-principles calculations.Comment: 14 pages, 5 figure

Spin-transfer torques in anti-ferromagnetic metals from first principles

In spite of the absence of a macroscopic magnetic moment, an anti-ferromagnet is spin-polarized on an atomic scale. The electric current passing through a conducting anti-ferromagnet is polarized as well, leading to spin-transfer torques when the order parameter is textured, such as in anti-ferromagnetic non-collinear spin valves and domain walls. We report a first principles study on the electronic transport properties of anti-ferromagnetic systems. The current-induced spin torques acting on the magnetic moments are comparable with those in conventional ferromagnetic materials, leading to measurable angular resistances and current-induced magnetization dynamics. In contrast to ferromagnets, spin torques in anti-ferromagnets are very nonlocal. The torques acting far away from the center of an anti-ferromagnetic domain wall should facilitate current-induced domain wall motion.Comment: The paper has substantially been rewritten, 4 pages, 5 figure

Transport properties of single atoms

We present a systematic study of the ballistic electron conductance through sp and 3d transition metal atoms attached to copper and palladium crystalline electrodes. We employ the 'ab initio' screened Korringa-Kohn-Rostoker Green's function method to calculate the electronic structure of nanocontacts while the ballistic transmission and conductance eigenchannels were obtained by means of the Kubo approach as formulated by Baranger and Stone. We demonstrate that the conductance of the systems is mainly determined by the electronic properties of the atom bridging the macroscopic leads. We classify the conducting eigenchannels according to the atomic orbitals of the contact atom and the irreducible representations of the symmetry point group of the system that leads to the microscopic understanding of the conductance. We show that if impurity resonances in the density of states of the contact atom appear at the Fermi energy, additional channels of appropriate symmetry could open. On the other hand the transmission of the existing channels could be blocked by impurity scattering.Comment: RevTEX4, 9 pages, 9 figure