Dynamical mean-field study of the Mott transition in thin films

The correlation-driven transition from a paramagnetic metal to a paramagnetic Mott-Hubbard insulator is studied within the half-filled Hubbard model for a thin-film geometry. We consider simple-cubic films with different low-index surfaces and film thickness d ranging from d=1 (two-dimensional) up to d=8. Using the dynamical mean-field theory, the lattice (film) problem is self-consistently mapped onto a set of d single-impurity Anderson models which are indirectly coupled via the respective baths of conduction electrons. The impurity models are solved at zero temperature using the exact-diagonalization algorithm. We investigate the layer and thickness dependence of the electronic structure in the low-energy regime. Effects due to the finite film thickness are found to be the more pronounced the lower is the film-surface coordination number. For the comparatively open sc(111) geometry we find a strong layer dependence of the quasi-particle weight while it is much less pronounced for the sc(110) and the sc(100) film geometries. For a given geometry and thickness d there is a unique critical interaction strength U _c2 (d) at which all effective masses diverge and there is a unique strength U _c1 (d) where the insulating solution disappears. U _c2 (d) and U _c1 (d) gradually increase with increasing thickness eventually approaching their bulk values. A simple analytical argument explains the complete geometry and thickness dependence of U_c2. U_c1 is found to scale linearly with U_c2. Received 19 August 1998     

Cobalt antidot arrays on membranes: Fabrication and investigation with transmission X-ray microscopy

We have developed a method to fabricate ferromagnetic antidot arrays on silicon nitride membrane substrates for electron or soft X-ray microscopy with antidot periods ranging from 2 μm down to 200 nm. Observations of cobalt antidot arrays with magnetic soft X-ray microscopy show that for large periods, flux closure states occur between the antidots in the as-grown state and on application of a magnetic field, domain chains are created which show a spin configuration at the chain ends comprising four 90° walls. Pinning of the domain chain ends plays an important role in the magnetization reversal, determining the length of the chains and resulting in preservation of the domain chain configuration on reducing of the applied magnetic field to zero.     

Quantitative analysis of magnetic excitations in Landau flux-closure structures using synchrotron-radiation microscopy

We have measured the excitation spectrum of six micron magnetic squares using x-ray magnetic circular dichroism. We observe all three excitations expected in a Landau flux-closure pattern. High temporal and spatial resolution allows quantitative analysis of the excitations. A short magnetic in plane pulse excites the magnetic element and we observe precessional motion of the magnetization within the domains as well as a domain wall mode and vortex motion. The vortex moves perpendicular to the excitation field and relaxes without showing a circulating orbit.     

Theory of the electrical resistivity of an antiferromagnetic alloy as a function of stoichiometry

Vacancies in antiferromagnetic metals must be interpreted as magnetic defects which lead to a characteristic magnetic contribution to the electrical resistivity. This contribution is calculated using a simple alloy analogy and the coherent potential approximation. It is shown that the temperature dependence is mainly determined by a spin-spin correlation function. The theory can explain the resistivity measurements for off-stoichiometric GdSe compounds [1].     

Spin reorientation at the antiferromagnetic NiO(001) surface in response to an adjacent ferromagnet

Polarization dependent x-ray photoemission electron microscopy was used to investigate the spin structure near the surface of an antiferromagnetic NiO(001) single crystal in response to the deposition of a thin ferromagnetic Co film. For the cleaved NiO surface we observe only a subset of bulklike antiferromagnetic domains which is attributed to minimization of dipolar energies. Upon Co deposition a spin reorientation near the NiO interface occurs, with the antiferromagnetic spins rotating in plane, parallel to the spins of the Co layer. Our results demonstrate that the spin configuration in an antiferromagnet near its interface with a ferromagnet may significantly deviate from that in the bulk antiferromagnet.     

pH-induced protonation of lysine in aqueous solution causes chemical shifts in X-ray photoelectron spectroscopy

We demonstrate the applicability of X-ray photoelectron spectroscopy to obtain charge- and site-specific electronic structural information of biomolecules in aqueous solution. Changing the pH of an aqueous solution of lysine from basic to acidic results in nitrogen 1s and carbon 1s chemical shifts to higher binding energies. These shifts are associated with the sequential protonation of the two amino groups, which affects both charge state and hydrogen bonding to the surrounding water molecules. The N1s chemical shift is 2.2 eV, and for carbon atoms directly neighboring a nitrogen the shift for C1s is approximately 0.4 eV. The experimental binding energies agree reasonably with our calculated energies of lysine(aq) for different pH values.     

An endohedral single-molecule magnet with long relaxation times: DySc2N@C80

The magnetism of DySc(2)N@C(80) endofullerene was studied with X-ray magnetic circular dichroism (XMCD) and a magnetometer with a superconducting quantum interference device (SQUID) down to temperatures of 2 K and in fields up to 7 T. XMCD shows hysteresis of the 4f spin and orbital moment in Dy(III) ions. SQUID magnetometry indicates hysteresis below 6 K, while thermal and nonthermal relaxation is observed. Dilution of DySc(2)N@C(80) samples with C(60) increases the zero-field 4f electron relaxation time at 2 K to several hours.