Impurity and boundary effects in one and two-dimensional inhomogeneous Heisenberg antiferromagnets

We calculate the ground-state energy of one and two-dimensional spatially inhomogeneous antiferromagnetic Heisenberg models for spins 1/2, 1, 3/2 and 2. Our calculations become possible as a consequence of the recent formulation of density-functional theory for Heisenberg models. The method is similar to spin-density-functional theory, but employs a local-density-type approximation designed specifically for the Heisenberg model, allowing us to explore parameter regimes that are hard to access by traditional methods, and to consider complications that are important specifically for nanomagnetic devices, such as the effects of impurities, finite-size, and boundary geometry, in chains, ladders, and higher-dimensional systems.Comment: 4 pages, 4 figures, accepted by Phys. Rev.

Current-induced magnetization dynamics in disordered itinerant ferromagnets

Current-driven magnetization dynamics in ferromagnetic metals are studied in a self-consistent adiabatic local-density approximation in the presence of spin-conserving and spin-dephasing impurity scattering. Based on a quantum kinetic equation, we derive Gilbert damping and spin-transfer torques entering the Landau-Lifshitz equation to linear order in frequency and wave vector. Gilbert damping and a current-driven dissipative torque scale identically and compete, with the result that a steady current-driven domain-wall motion is insensitive to spin dephasing in the limit of weak ferromagnetism. A uniform magnetization is found to be much more stable against spin torques in the itinerant than in the \textit{s}-\textit{d} model for ferromagnetism. A dynamic spin-transfer torque reminiscent of the spin pumping in multilayers is identified and shown to govern the current-induced domain-wall distortion

Self-stresses and Crack Formation by Particle Swelling in Cohesive Granular Media

We present a molecular dynamics study of force patterns, tensile strength and crack formation in a cohesive granular model where the particles are subjected to swelling or shrinkage gradients. Non-uniform particle size change generates self-equilibrated forces that lead to crack initiation as soon as strongest tensile contacts begin to fail. We find that the coarse-grained stresses are correctly predicted by an elastic model that incorporates particle size change as metric evolution. The tensile strength is found to be well below the theoretical strength as a result of inhomogeneous force transmission in granular media. The cracks propagate either inward from the edge upon shrinkage and outward from the center upon swelling

Magnetization damping in a local-density approximation

The linear response of itinerant transition metal ferromagnets to transverse magnetic fields is studied in a self-consistent adiabatic local-density approximation. The susceptibility is calculated from a microscopic Hamiltonian, including spin-conserving impurities, impurity induced spin-orbit interaction and magnetic impurities using the Keldysh formalism. The Gilbert damping constant in the Landau-Lifshitz-Gilbert equation is identified, parametrized by an effective transverse spin dephasing rate, and is found to be inversely proportional to the exchange splitting. Our result justify the phenomenological treatment of transverse spin dephasing in the study of current-induced magnetization dynamics in weak, itinerant ferromagnets by Tserkovnyak \textit{et al.}. We show that neglect of gradient corrections in the quasiclassical transport equations leads to incorrect results when the exchange potential becomes of the order of the Fermi energy.Comment: 11 pages, 41 references, no figure

Finite-temperature magnetism of Fex_xPd1−x_{1-x} and Cox_xPt1−x_{1-x} alloys

The finite-temperature magnetic properties of Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys have been investigated. It is shown that the temperature-dependent magnetic behaviour of alloys, composed of originally magnetic and non-magnetic elements, cannot be described properly unless the coupling between magnetic moments at magnetic atoms (Fe,Co) mediated through the interactions with induced magnetic moments of non-magnetic atoms (Pd,Pt) is included. A scheme for the calculation of the Curie temperature ($T_C$) for this type of systems is presented which is based on the extended Heisenberg Hamiltonian with the appropriate exchange parameters $J_{ij}$ obtained from {\em ab-initio} electronic structure calculations. Within the present study the KKR Green's function method has been used to calculate the $J_{ij}$ parameters. A comparison of the obtained Curie temperatures for Fe$_x$Pd$_{1-x}$ and Co$_x$Pt$_{1-x}$ alloys with experimental data shows rather good agreement.Comment: 10 pages, 12 figure

Magnetic susceptibility, exchange interactions and spin-wave spectra in the local spin density approximation

Starting from exact expression for the dynamical spin susceptibility in the time-dependent density functional theory a controversial issue about exchange interaction parameters and spin-wave excitation spectra of itinerant electron ferromagnets is reconsidered. It is shown that the original expressions for exchange integrals based on the magnetic force theorem (J. Phys. F14 L125 (1984)) are optimal for the calculations of the magnon spectrum whereas static response function is better described by the ``renormalized'' magnetic force theorem by P. Bruno (Phys. Rev. Lett. 90, 087205 (2003)). This conclusion is confirmed by the {\it ab initio} calculations for Fe and Ni.Comment: 12 pages, 2 figures, submitted to JPC

Surface Properties of the Half- and Full-Heusler Alloys

Using a full-potential \textit{ab-initio} technique I study the electronic and magnetic properties of the (001) surfaces of the half-Heusler alloys, NiMnSb, CoMnSb and PtMnSb and of the full-Heusler alloys Co$_2$MnGe, Co$_2$MnSi and Co$_2$CrAl. The MnSb terminated surfaces of the half-Heusler compounds present properties similar to the bulk compounds and, although the half-metallicity is lost, an important spin-polarisation at the Fermi level. In contrast to this the Ni terminated surface shows an almost zero net spin-polarisation. While the bulk Co$_2$MnGe and Co$_2$MnSi are almost half-ferromagnetic, their surfaces lose the half-metallic character and the net spin-polarisation at the Fermi level is close to zero. Contrary to these compounds the CrAl terminated (001) surface of Co$_2$CrAl shows a spin polarisation of about 84%.Comment: 14 pages, 6 figure

Half-Metallic Ferrimagnetism in Mn_2VAl

We show that Mn_2VAl is a compound for which the generalized gradient approximation (GGA) to the exchange-correlation functional in density functional theory makes a qualitative change in predicted behavior compared to the usual local density approximation (LDA). Application of GGA leads to prediction of Mn_2VAl being a half-metallic ferrimagnet, with the minority channel being the conducting one. The electronic and magnetic structure is analyzed and contrasted with the isostructural enhanced semimetal Fe_2VAl.Comment: 5 pages, Latex, 6 postscript figures. Description and figures of the (minority) Fermi surfaces have been adde

Decoherence: Concepts and Examples

We give a pedagogical introduction to the process of decoherence - the irreversible emergence of classical properties through interaction with the environment. After discussing the general concepts, we present the following examples: Localisation of objects, quantum Zeno effect, classicality of fields and charges in QED, and decoherence in gravity theory. We finally emphasise the important interpretational features of decoherence.Comment: 24 pages, LATEX, 9 figures, needs macro lamuphys.sty, to appear in the Proceedings of the 10th Born Symposiu

Appearance of Half-Metallicity in the Quaternary Heusler Alloys

I report systematic first-principle calculations of the quaternary Heusler alloys like Co$_2$[Cr$_{1-x}$Mn$_x$]Al, Co$_2$Mn[Al$_{1-x}$Sn$_x$] and [Fe$_{1-x}$Co$_x$]$_2$MnAl. I show that when the two limiting cases (x=0 or 1) correspond to a half-metallic compound, so do the intermediate cases. Moreover the total spin moment $M_t$ in $\mu_B$ scales linearly with the total number of valence electrons $Z_t$ (and thus with the concentration $x$) following the relation $M_t=Z_t-24$, independently of the origin of the extra valence electrons, confirming the Slater-Pauling behavior of the normal Heusler alloys. Finally I discuss in all cases the trends in the atomic projected DOSs and in the atomic spin moments.Comment: 4 pages, 3 figures, 2 Table