Interstitial Mn in (Ga,Mn)As: Binding energy and exchange coupling

We present ab initio calculations of total energies of Mn atoms in various interstitial positions. The calculations are performed by the full-potential linearized plane-wave method. The minimum energy is found for tetrahedral T(As4) position, but the energy of the T(Ga4) site differs by only a few meV. The T(Ga4) position becomes preferable in the p-type materials. In samples with one substitutional and one interstitial Mn the Mn atoms tend to form close pair with antiparallel magnetic moments. We also use the spin-splitting of the valence band to estimate the exchange coupling Jpd for various positions of Mn. It is the same for the substitutional and T(As4) position and it is only slightly reduced for the T(Ga4) position. The hybridization of Mn d-states with six next-nearest neighbors of the interstitial Mn explains the insensitivity of Jpd to the position of Mn.Comment: 6 pages, 3 figures, 3 tables, submitted to the Physical Review

Microscopic analysis of the valence band and impurity band theories of (Ga,Mn)As

We analyze microscopically the valence and impurity band models of ferromagnetic (Ga,Mn)As. We find that the tight-binding Anderson approach with conventional parameterization and the full potential LDA+U calculations give a very similar picture of states near the Fermi energy which reside in an exchange-split sp-d hybridized valence band with dominant orbital character of the host semiconductor; this microscopic spectral character is consistent with the physical premise of the k.p kinetic-exchange model. On the other hand, the various models with a band structure comprising an impurity band detached from the valence band assume mutually incompatible microscopic spectral character. By adapting the tight-binding Anderson calculations individually to each of the impurity band pictures in the single Mn impurity limit and then by exploring the entire doping range we find that a detached impurity band does not persist in any of these models in ferromagnetic (Ga,Mn)As.Comment: 29 pages, 25 figure

Diffusion rates of Cu adatoms on Cu(111) in the presence of an adisland nucleated at FCC or HCP sites

The surface diffusion of Cu adatoms in the presence of an adisland at FCC or HCP sites on Cu(111) is studied using the EAM potential derived by Mishin {\it et al.} [Phys. Rev. B {\bf 63} 224106 (2001)]. The diffusion rates along straight (with close-packed edges) steps with (100) and (111)-type microfacets (resp. step A and step B) are first investigated using the transition state theory in the harmonic approximation. It is found that the classical limit beyond which the diffusion rates follow an Arrhenius law is reached above the Debye temperature. The Vineyard attempt frequencies and the (static) energy barriers are reported. Then a comparison is made with the results of more realistic classical molecular dynamic simulations which also exhibit an Arrhenius-like behavior. It is concluded that the corresponding energy barriers are completely consistent with the static ones within the statistical errors and that the diffusion barrier along step B is significantly larger than along step A. In contrast the prefactors are very different from the Vineyard frequencies. They increase with the static energy barrier in agreement with the Meyer-Neldel compensation rule and this increase is well approximated by the law proposed by Boisvert {\it et al.} [Phys. Rev. Lett. {\bf 75} 469 (1995)]. As a consequence, the remaining part of this work is devoted to the determination of static energy barriers for a large number of diffusion events that can occur in the presence of an adisland. In particular, it is found that the corner crossing diffusion process for triangular adislands is markedly different for the two types of borders (A or B). From this set of results the diffusion rates of the most important atomic displacements can be predicted and used as input in Kinetic Monte-Carlo simulations

Ab initio study of canted magnetism of finite atomic chains at surfaces

By using ab initio methods on different levels we study the magnetic ground state of (finite) atomic wires deposited on metallic surfaces. A phenomenological model based on symmetry arguments suggests that the magnetization of a ferromagnetic wire is aligned either normal to the wire and, generally, tilted with respect to the surface normal or parallel to the wire. From a first principles point of view, this simple model can be best related to the so--called magnetic force theorem calculations being often used to explore magnetic anisotropy energies of bulk and surface systems. The second theoretical approach we use to search for the canted magnetic ground state is first principles adiabatic spin dynamics extended to the case of fully relativistic electron scattering. First, for the case of two adjacent Fe atoms an a Cu(111) surface we demonstrate that the reduction of the surface symmetry can indeed lead to canted magnetism. The anisotropy constants and consequently the ground state magnetization direction are very sensitive to the position of the dimer with respect to the surface. We also performed calculations for a seven--atom Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned we obtain excellent agreement with experiment. Moreover, the magnetic ground state turns out to be slightly noncollinear.Comment: 8 pages, 5 figures; presented on the International Conference on Nanospintronics Design and Realizations, Kyoto, Japan, May 2004; to appear in J. Phys.: Cond. Matte

Dynamic Bridge Response for a Bridge-friendly Truck

A truck with controlled semi-active suspensions traversing a bridge is examined for benefits to the bridge structure. The original concept of a road-friendly truck was extended to a bridge-friendly vehicle, using the same optimization tools. A half-car model with two independently driven axles is coupled with simply supported bridges (beam, slab model) with the span range from 5 m to 50 m. Surface profile of the bridge deck is either stochastic or in the shape of a bump or a pot in the mid-span. Numerical integration in the MATLAB/SIMULINK environment solves coupled dynamic equations of motion with optimized truck suspensions. The rear axle generates the prevailing load and to a great extent determines the bridge response. A significant decrease in contact road-tire forces is observed and the mid-span bridge deflections are on average smaller, when compared to commercial passive suspensions.

Annealing-Dependent Magnetic Depth Profile in Ga[1-x]Mn[x]As

We have studied the depth-dependent magnetic and structural properties of as-grown and optimally annealed Ga[1-x]Mn[x]As films using polarized neutron reflectometry. In addition to increasing total magnetization, the annealing process was observed to produce a significantly more homogeneous distribution of the magnetization. This difference in the films is attributed to the redistribution of Mn at interstitial sites during the annealing process. Also, we have seen evidence of significant magnetization depletion at the surface of both as-grown and annealed films.Comment: 5 pages, 3 figure

Antiferromagnetic spintronics

Antiferromagnetic materials are magnetic inside, however, the direction of their ordered microscopic moments alternates between individual atomic sites. The resulting zero net magnetic moment makes magnetism in antiferromagnets invisible on the outside. It also implies that if information was stored in antiferromagnetic moments it would be insensitive to disturbing external magnetic fields, and the antiferromagnetic element would not affect magnetically its neighbors no matter how densely the elements were arranged in a device. The intrinsic high frequencies of antiferromagnetic dynamics represent another property that makes antiferromagnets distinct from ferromagnets. The outstanding question is how to efficiently manipulate and detect the magnetic state of an antiferromagnet. In this article we give an overview of recent works addressing this question. We also review studies looking at merits of antiferromagnetic spintronics from a more general perspective of spin-ransport, magnetization dynamics, and materials research, and give a brief outlook of future research and applications of antiferromagnetic spintronics.Comment: 13 pages, 7 figure