Spin-polarized surface states close to adatoms on Cu(111)

We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each of the adatoms we found resonances in the s-like states to be attributed to a localization of the surface states in the presence of an impurity. We studied the change of the s-like densities of states in the vicinity of the surface state band-edge due to scattering effects mediated via the adatom's d-orbitals. The obtained results show that a magnetic impurity causes spin-polarization of the surface states. In particular, the long-range oscillations of the spin-polarized s-like density of states around an Fe adatom are demonstrated.Comment: 5 pages, 5 figures, submitted to PR

Magnetic properties of Quantum Corrals from first principles calculations

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin--polarized states. In order to classify the peaks in the calculated density of states with orbital quantum numbers we analyzed the problem in terms of a simple quantum mechanical circular well model. This model is also used to estimate the behaviour of the magnetization and energy with respect to the radius of the circular corral. The calculations are performed fully relativistically using the embedding technique within the Korringa-Kohn-Rostoker method.Comment: 14 pages, 9 figures, submitted to J. Phys. Cond. Matt. special issue on 'Theory and Simulation of Nanostructures

Dissipative dynamics of an extended magnetic nanostructure: Spin necklace in a metallic environment

We study theoretically the dynamics of an ``xxz'' spin necklace coupled to a conduction electron sea, a model system for a nanostructure in a dissipative environment. We extract the long-time behavior via a mapping to a multichannel Coulomb gas problem followed by a scaling analysis. The strong quantum fluctuations of the necklace cause a nontrivial dependence of couplings on system size which we extract via an analysis involving the ``boundary condition changing operator'', and confirm via a detailed numerical evaluation of one case.Comment: 4 pages, 4 figure

Direct comparison between potential landscape and local density of states in a disordered two-dimensional electron system

The local density of states (LDOS) of the adsorbate induced two-dimensional electron system (2DES) on n-InAs(110) is studied by low-temperature scanning tunneling spectroscopy. The LDOS exhibits irregular structures with fluctuation lengths decreasing with increasing energy. Fourier transformation reveals that the k-values of the unperturbed 2DES dominate the LDOS, but additional lower k-values contribute significantly. To clarify the origin of the additional k-space intensity, we measure the potential landscape of the same 2DES area with the help of the tip induced quantum dot. This allows to calculate the expected LDOS from the single particle Schroedinger equation and to directly compare it with the measured one. Reasonable correspondance between calculated and measured LDOS is found.Comment: 7 pages, 4 figures, submitted to PR

Multiply Folded Graphene

The folding of paper, hide, and woven fabric has been used for millennia to achieve enhanced articulation, curvature, and visual appeal for intrinsically flat, two-dimensional materials. For graphene, an ideal two-dimensional material, folding may transform it to complex shapes with new and distinct properties. Here, we present experimental results that folded structures in graphene, termed grafold, exist, and their formations can be controlled by introducing anisotropic surface curvature during graphene synthesis or transfer processes. Using pseudopotential-density functional theory calculations, we also show that double folding modifies the electronic band structure of graphene. Furthermore, we demonstrate the intercalation of C60 into the grafolds. Intercalation or functionalization of the chemically reactive folds further expands grafold's mechanical, chemical, optical, and electronic diversity.Comment: 29 pages, 10 figures (accepted in Phys. Rev. B

The Anderson prescription for surfaces and impurities

We test the Anderson prescription [1], a BCS formalism for describing superconductivity in inhomogeneous systems, and compare results with those obtained from the Bogoliubov-de Gennes formalism, using the attractive Hubbard model with surfaces and nonmagnetic impurities. The Anderson approach captures the essential features of the spatial variation of the gap parameter and electron density around a surface or an impurity over a wide range of parameters. It breaks down, however, in the strong-coupling regime for a weak impurity potential. [1] P. W. Anderson, J. Phys. Chem. Solids 11, 26 (1959).Comment: 4 pages, 4 figure

Detecting Electronic States at Stacking Faults in Magnetic Thin Films by Tunneling Spectroscopy

Co islands grown on Cu(111) with a stacking fault at the interface present a conductance in the empty electronic states larger than the Co islands that follow the stacking sequence of the Cu substrate. Electrons can be more easily injected into these faulted interfaces, providing a way to enhance transmission in future spintronic devices. The electronic states associated to the stacking fault are visualized by tunneling spectroscopy and its origin is identified by band structure calculations.Comment: 4 pages, 4 figures; to be published in Phys. Rev. Lett (2000