Theory of ferromagnetism in planar heterostructures of (Mn,III)-V semiconductors

A density-functional theory of ferromagnetism in heterostructures of compound semiconductors doped with magnetic impurities is presented. The variable functions in the density-functional theory are the charge and spin densities of the itinerant carriers and the charge and localized spins of the impurities. The theory is applied to study the Curie temperature of planar heterostructures of III-V semiconductors doped with manganese atoms. The mean-field, virtual-crystal and effective-mass approximations are adopted to calculate the electronic structure, including the spin-orbit interaction, and the magnetic susceptibilities, leading to the Curie temperature. By means of these results, we attempt to understand the observed dependence of the Curie temperature of planar δ-doped ferromagnetic structures on variation of their properties. We predict a large increase of the Curie temperature by additional confinement of the holes in a δ-doped layer of Mn by a quantum well.

Spin separation in digital ferromagnetic heterostructures

In a study of the ferromagnetic phase of a multilayer digital ferromagnetic semiconductor in the mean-field and effective-mass approximations, we find the exchange interaction to have the dominant energy scale of the problem, effectively controlling the spatial distribution of the carrier spins in the digital ferromagnetic heterostructures. In the ferromagnetic phase, the majority-spin and minority-spin carriers tend to be in different regions of the space (spin separation). Hence, the charge distribution of carriers also changes noticeably from the ferromagnetic to the paramagnetic phase. An example of a design to exploit these phenomena is given here.

Cotunneling theory of atomic spin inelastic electron tunneling spectroscopy

We propose cotunneling as the microscopic mechanism that makes possible inelastic electron tunneling spectroscopy of magnetic atoms in surfaces for a wide range of systems, including single magnetic adatoms, molecules, and molecular stacks. We describe electronic transport between the scanning tip and the conducting surface through the magnetic system (MS) with a generalized Anderson model, without making use of effective spin models. Transport and spin dynamics are described with an effective cotunneling Hamiltonian in which the correlations in the magnetic system are calculated exactly and the coupling to the electrodes is included up to second order in the tip MS and MS substrate. In the adequate limit our approach is equivalent to the phenomenological Kondo exchange model that successfully describes the experiments. We apply our method to study in detail inelastic transport in two systems, stacks of cobalt phthalocyanines and a single Mn atom on Cu2N. Our method accounts for both the large contribution of the inelastic spin exchange events to the conductance and the observed conductance asymmetry.

Shaking-table tests of flat-bottom circular silos containing grain-like material

According to Eurocode 8, the seismic design of flat-bottom circular silos containing grain-like material is based on a rough estimate of the inertial force imposed on the structure by the ensiled content during an earthquake: 80% of the mass of the content multiplied by the peak ground acceleration. A recent analytical consideration of the horizontal shear force mobilised within the ensiled material during an earthquake proposed by some of the authors has resulted in a radically reduced estimate of this load suggesting that, in practice, the effective mass of the content is significantly less than that specified. This paper describes a series of laboratory tests that featured shaking table and a silo model, which were conducted in order to obtain some experimental data to verify the proposed theoretical formulations and to compare with the established code provisions. Several tests have been performed with different heights of ensiled material – about 0.5 mm diameter Ballotini glass – and different magnitudes of grain–wall friction. The results indicate that in all cases, the effective mass is indeed lower than the Eurocode specification, suggesting that the specification is overly conservative, and that the wall–grain friction coefficient strongly affects the overturning moment at the silo base. At peak ground accelerations up to around 0.35 g, the proposed analytical formulation provides an improved estimate of the inertial force imposed on such structures by their contents.

Derivation of the spin Hamiltonians for Fe in MgO

A method to calculate the effective spin Hamiltonian for a transition metal impurity in a non-magnetic insulating host is presented and applied to the paradigmatic case of Fe in MgO. In the first step we calculate the electronic structure employing standard density functional theory (DFT), based on generalized gradient approximation (GGA), using plane waves as a basis set. The corresponding basis of atomic-like maximally localized Wannier functions is derived and used to represent the DFT Hamiltonian, resulting in a tight-binding model for the atomic orbitals of the magnetic impurity. The third step is to solve, by exact numerical diagonalization, the N electron problem in the open shell of the magnetic atom, including both effects of spin–orbit and Coulomb repulsion. Finally, the low energy sector of this multi-electron Hamiltonian is mapped into effective spin models that, in addition to the spin matrices S, can also include the orbital angular momentum L when appropriate. We successfully apply the method to Fe in MgO, considering both the undistorted and Jahn–Teller (JT) distorted cases. Implications for the influence of Fe impurities on the performance of magnetic tunnel junctions based on MgO are discussed.