Theory of the Eigler-swith

We suggest a simple model to describe the reversible field-induced transfer of a single Xe-atom in a scanning tunneling microscope, --- the Eigler-switch. The inelasticly tunneling electrons give rise to fluctuating forces on and damping of the Xe-atom resulting in an effective current dependent temperature. The rate of transfer is controlled by the well-known Arrhenius law with this effective temperature. The directionality of atom transfer is discussed, and the importance of use of non-equlibrium-formalism for the electronic environment is emphasized. The theory constitutes a formal derivation and generalization of the so-called Desorption Induced by Multiple Electron Transitions (DIMET) point of view.Comment: 13 pages (including 2 figures in separate LaTeX-files with ps-\specials), REVTEX 3.

Excitations in antiferromagnetic cores of superconducting vortices

We study excitations of the predicted antiferromagnetically ordered vortex cores in the superconducting phase of the newly proposed SO(5) model of strongly correlated electrons. Using experimental data from the literature we show that the susceptibilities in the spin sector and the charge sector are nearly equal, and likewise for the stiffnesses. In the case of strict equality SO(5) symmetry is possible, and we find that if present the vortices give rise to an enhanced neutron scattering cross section near the so called pi resonance at 41 meV. In the case of broken SO(5) symmetry two effects are predicted. Bound excitations can exist in the vortex cores with ``high'' excitation energies slightly below 41 meV, and the massless Goldstone modes corresponding to the antiferromagnetic ordering of the core can acquire a mass and show up as core excitation with ``low'' excitation energies around 2 meV.Comment: 9 pages, RevTeX, including 3 postscript figures, submitted to Phys. Rev. B, July 10, 199

Strong polarization-induced reduction of addition energies in single-molecule nanojunctions

We address polarization-induced renormalization of molecular levels in solid-state based single-molecule transistors and focus on an organic conjugate molecule where a surprisingly large reduction of the addition energy has been observed. We have developed a scheme that combines a self-consistent solution of a quantum chemical calculation with a realistic description of the screening environment. Our results indeed show a large reduction, and we explain this to be a consequence of both (a) a reduction of the electrostatic molecular charging energy and (b) polarization induced level shifts of the HOMO and LUMO levels. Finally, we calculate the charge stability diagram and explain at a qualitative level general features observed experimentally.Comment: 9 pages, 5 figure

The magnetic neutron scattering resonance of high-T_c superconductors in external magnetic fields: an SO(5) study

The magnetic resonance at 41 meV observed in neutron scattering studies of Y Ba_2 Cu_3 O_7 holds a key position in the understanding of high-T_c superconductivity. Within the SO(5) model for superconductivity and antiferromagnetism, we have calculated the effect of an applied magnetic field on the neutron scattering cross-section of the magnetic resonance. In the presence of vortices, the neutron scattering cross-section shows clear signatures of not only the fluctuations in the superconducting order parameter \psi, but also the modulation of the phase of \psi due to vortices. In reciprocal space we find that i) the scattering amplitude is zero at (pi/a,pi/a), ii) the resonance peak is split into a ring with radius pi/d centered at (pi/a,pi/a), d being the vortex lattice constant, and consequently, iii) the splitting pi/d scales with the magnetic field as sqrt{B}.Comment: 4 pages including 3 eps-figures - minor changes and one reference added. Accepted for publication in Phys. Rev.

Three-Body and One-Body Channels of the Auger Core-Valence-Valence decay: Simplified Approach

We propose a computationally simple model of Auger and APECS line shapes from open-band solids. Part of the intensity comes from the decay of unscreened core-holes and is obtained by the two-body Green's function $G^{(2)}_{\omega}$, as in the case of filled bands. The rest of the intensity arises from screened core-holes and is derived using a variational description of the relaxed ground state; this involves the two-holes-one-electron propagator $G_{\omega}$, which also contains one-hole contributions. For many transition metals, the two-hole Green's function $G^{(2)}_{\omega}$ can be well described by the Ladder Approximation, but the three-body Green's function poses serious further problems. To calculate $G_{\omega}$, treating electrons and holes on equal footing, we propose a practical approach to sum the series to all orders. We achieve that by formally rewriting the problem in terms of a fictitious three-body interaction. Our method grants non-negative densities of states, explains the apparent negative-U behavior of the spectra of early transition metals and interpolates well between weak and strong coupling, as we demonstrate by test model calculations.Comment: AMS-LaTeX file, 23 pages, 8 eps and 3 ps figures embedded in the text with epsfig.sty and float.sty, submitted to Phys. Rev.

Two-dimensional electron transport in the presence of magnetic flux vortices

We have considered the conductivity properties of a two dimensional electron gas (2DEG) in two different kinds of inhomogeneous magnetic fields, i.e. a disordered distribution of magnetic flux vortices, and a periodic array of magnetic flux vortices. The work falls in two parts. In the first part we show how the phase shifts for an electron scattering on an isolated vortex, can be calculated analytically, and related to the transport properties through a force balance equation. In the second part we present numerical results for the Hall conductivity of the 2DEG in a periodic array of flux vortices. We find characteristic peaks in the Hall conductance, when plotted against the filling fraction. It is argued that the peaks can be interpreted in terms of ``topological charge'' piling up across local and global gaps in the energy spectrum.Comment: 47 pages, Revtex 3.0, 18 postscript figures can be obtained from our WWW-server: http://roemer.fys.ku.dk/vortices.htm , or on request from the Authors. Note that this paper is a thoroughly revised version of cond-mat/940405

SO(5) theory of insulating vortex cores in high-TcT_c materials

We study the fermionic states of the antiferromagnetically ordered vortex cores predicted to exist in the superconducting phase of the newly proposed SO(5) model of strongly correlated electrons. Our model calculation gives a natural explanation of the recent STM measurements on BSCCO, which in surprising contrast to YBCO revealed completely insulating vortex cores.Comment: 4 pages, 1 figur

Effect of Finite Impurity Mass on the Anderson Orthogonality Catastrophe in One Dimension

A one-dimensional tight-binding Hamiltonian describes the evolution of a single impurity interacting locally with $N$ electrons. The impurity spectral function has a power-law singularity $A(\omega)\propto\mid\omega-\omega_0\mid^{-1+\beta}$ with the same exponent $\beta$ that characterizes the logarithmic decay of the quasiparticle weight $Z$ with the number of electrons $N$, $Z\propto N^{-\beta}$. The exponent $\beta$ is computed by (1) perturbation theory in the interaction strength and (2) numerical evaluations with exact results for small systems and variational results for larger systems. A nonanalytical behavior of $\beta$ is observed in the limit of infinite impurity mass. For large interaction strength, the exponent depends strongly on the mass of the impurity in contrast to the perturbative result.Comment: 26 pages, RevTeX, 7 figures included, to be published in Phys. Rev.

Quasiparticle structure and coherent propagation in the t−Jz−J⊥t-J_{z}-J_{\perp} model

Numerical studies, from variational calculation to exact diagonalization, all indicate that the quasiparticle generated by introducing one hole into a two-dimensional quantum antiferromagnet has the same nature as a string state in the $t-J_{z}$ model. Based on this observation, we attempt to visualize the quasiparticle formation and subsequent coherent propagation at low energy by studying the generalized $t-J_{z}-J_{\perp}$ model in which we first diagonalize the $t-J_{z}$ model and then perform a {\em degenerate} perturbation in $J_{\perp}$. We construct the quasiparticle state and derive an effective Hamiltonian describing the coherent propagation of the quasiparticle and its interaction with the spin wave excitations in the presence of the N\'{e}el order. We expect that qualitative properties of the quasiparticle remain intact when analytically continuing $J_{\perp}$ from the anisotropic $J_{\perp} < J_{z}$ to the isotropic $J_{\perp} = J_{z}$ limit, despite the fact that the spin wave excitations change from gapful to gapless. Extrapolating to $J_{\perp}=J_{z}$, our quasiparticle dispersion and spectral weight compare well with the exact numerical results for small clusters.Comment: Revised with minor changes and references updated. To appear in Phys. Rev. B., Jan. 1996. 10 pages, The complete PostScript file including figures can be obtained via ftp at ftp://serval.berkeley.edu/tjzjp.ps . It is also posted in the WEB site of Niels Bohr Institute at http://roemer.fys.ku.dk/recent.ht

Composite quasiparticle formation and the low-energy effective Hamiltonians of the one- and two-dimensional Hubbard Model

We investigate the effect of hole doping on the strong-coupling Hubbard model at half-filling in spatial dimensions $D\ge 1$. We start with an antiferromagnetic mean-field description of the insulating state, and show that doping creates solitons in the antiferromagnetic background. In one dimension, the soliton is topological, spinless, and decoupled from the background antiferromagnetic fluctuations at low energies. In two dimensions and above, the soliton is non-topological, has spin quantum number 1/2, and is strongly coupled to the antiferromagnetic fluctuations. We derive the effective action governing the quasiparticle motion, study the properties of a single carrier, and comment on a possible description at finite concentration.Comment: REVTEX 3.0, 22 pages with 14 figures in the PostScript format compressed using uufile. Submitted to Phys. Rev. B. The complete PostScript file including figures can be obtained via ftp at ftp://serval.berkeley.edu/hubbard.ps . It is also available via www at http://roemer.fys.ku.dk/recent.ht