Analytical approaches for the electronic structure of C60

We use the recursion and path-integral methods to analytically study the electronic properties of a neutral C60 molecule. We obtain closed-form analytic expressions of the eigenvalues and eigenfunctions for both [pi] and [sigma] states as well as the Green functions and the local densities of states, which can be probed experimentally, around any site and around several ring clusters.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/30394/1/0000013.pd

Strongly Localized Electrons in a Magnetic Field: Exact Results on Quantum Interference and Magnetoconductance

We study quantum interference effects on the transition strength for strongly localized electrons hopping on 2D square and 3D cubic lattices in a magnetic field B. In 2D, we obtain closed-form expressions for the tunneling probability between two arbitrary sites by exactly summing the corresponding phase factors of all directed paths connecting them. An analytic expression for the magnetoconductance, as an explicit function of the magnetic flux, is derived. In the experimentally important 3D case, we show how the interference patterns and the small-B behavior of the magnetoconductance vary according to the orientation of B.Comment: 4 pages, RevTe

Quantum interference from sums over closed paths for electrons on a three-dimensional lattice in a magnetic field: total energy, magnetic moment, and orbital susceptibility

We study quantum interference effects due to electron motion on a three-dimensional cubic lattice in a continuously-tunable magnetic field of arbitrary orientation and magnitude. These effects arise from the interference between magnetic phase factors associated with different electron closed paths. The sums of these phase factors, called lattice path-integrals, are ``many-loop" generalizations of the standard ``one-loop" Aharonov-Bohm-type argument. Our lattice path integral calculation enables us to obtain various important physical quantities through several different methods. The spirit of our approach follows Feynman's programme: to derive physical quantities in terms of ``sums over paths". From these lattice path-integrals we compute analytically, for several lengths of the electron path, the half-filled Fermi-sea ground-state energy of noninteracting spinless electrons in a cubic lattice. Our results are valid for any strength of the applied magnetic field in any direction. We also study in detail two experimentally important quantities: the magnetic moment and orbital susceptibility at half-filling, as well as the zero-field susceptibility as a function of the Fermi energy.Comment: 14 pages, RevTe

Recursion and Path-Integral Approaches to the Analytic Study of the Electronic Properties of C60C_{60}

The recursion and path-integral methods are applied to analytically study the electronic structure of a neutral $C_{60}$ molecule. We employ a tight-binding Hamiltonian which considers both the $s$ and $p$ valence electrons of carbon. From the recursion method, we obtain closed-form {\it analytic} expressions for the $\pi$ and $\sigma$ eigenvalues and eigenfunctions, including the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) states, and the Green's functions. We also present the local densities of states around several ring clusters, which can be probed experimentally by using, for instance, a scanning tunneling microscope. {}From a path-integral method, identical results for the energy spectrum are also derived. In addition, the local density of states on one carbon atom is obtained; from this we can derive the degree of degeneracy of the energy levels.Comment: 19 pages, RevTex, 6 figures upon reques

Quantum Interference on the Kagom\'e Lattice

We study quantum interference effects due to electron motion on the Kagom\'e lattice in a perpendicular magnetic field. These effects arise from the interference between phase factors associated with different electron closed-paths. From these we compute, analytically and numerically, the superconducting-normal phase boundary for Kagom\'e superconducting wire networks and Josephson junction arrays. We use an analytical approach to analyze the relationship between the interference and the complex structure present in the phase boundary, including the origin of the overall and fine structure. Our results are obtained by exactly summing over one thousand billion billions ($\sim 10^{21}$) closed paths, each one weighted by its corresponding phase factor representing the net flux enclosed by each path. We expect our computed mean-field phase diagrams to compare well with several proposed experiments.Comment: 9 pages, Revtex, 3 figures upon reques

Analytical solution for the Fermi-sea energy of two-dimensional electrons in a magnetic field: lattice path-integral approach and quantum interference

We derive an exact solution for the total kinetic energy of noninteracting spinless electrons at half-filling in two-dimensional bipartite lattices. We employ a conceptually novel approach that maps this problem exactly into a Feynman-Vdovichenko lattice walker. The problem is then reduced to the analytic study of the sum of magnetic phase factors on closed paths. We compare our results with the ones obtained through numerical calculations.Comment: 5 pages, RevTe

Analytical results on quantum interference and magnetoconductance for strongly localized electrons in a magnetic field: Exact summation of forward-scattering paths

We study quantum interference effects on the transition strength for strongly localized electrons hopping on 2D square and 3D cubic lattices in the presence of a magnetic field B. These effects arise from the interference between phase factors associated with different electron paths connecting two distinct sites. For electrons confined on a square lattice, with and without disorder, we obtain closed-form expressions for the tunneling probability, which determines the conductivity, between two arbitrary sites by exactly summing the corresponding phase factors of all forward-scattering paths connecting them. An analytic field-dependent expression, valid in any dimension, for the magnetoconductance (MC) is derived. A positive MC is clearly observed when turning on the magnetic field. In 2D, when the strength of B reaches a certain value, which is inversely proportional to twice the hopping length, the MC is increased by a factor of two compared to that at zero field. We also investigate transport on the much less-studied and experimentally important 3D cubic lattice case, where it is shown how the interference patterns and the small-field behavior of the MC vary according to the orientation of B. The effect on the low-flux MC due to the randomness of the angles between the hopping direction and the orientation of B is also examined analytically.Comment: 24 pages, RevTeX, 8 figures include

Quantum Interference in Superconducting Wire Networks and Josephson Junction Arrays: Analytical Approach based on Multiple-Loop Aharonov-Bohm Feynman Path-Integrals

We investigate analytically and numerically the mean-field superconducting-normal phase boundaries of two-dimensional superconducting wire networks and Josephson junction arrays immersed in a transverse magnetic field. The geometries we consider include square, honeycomb, triangular, and kagome' lattices. Our approach is based on an analytical study of multiple-loop Aharonov-Bohm effects: the quantum interference between different electron closed paths where each one of them encloses a net magnetic flux. Specifically, we compute exactly the sums of magnetic phase factors, i.e., the lattice path integrals, on all closed lattice paths of different lengths. A very large number, e.g., up to $10^{81}$ for the square lattice, exact lattice path integrals are obtained. Analytic results of these lattice path integrals then enable us to obtain the resistive transition temperature as a continuous function of the field. In particular, we can analyze measurable effects on the superconducting transition temperature, $T_c(B)$, as a function of the magnetic filed $B$, originating from electron trajectories over loops of various lengths. In addition to systematically deriving previously observed features, and understanding the physical origin of the dips in $T_c(B)$ as a result of multiple-loop quantum interference effects, we also find novel results. In particular, we explicitly derive the self-similarity in the phase diagram of square networks. Our approach allows us to analyze the complex structure present in the phase boundaries from the viewpoint of quantum interference effects due to the electron motion on the underlying lattices.Comment: 18 PRB-type pages, plus 8 large figure

Quantum interference effects in condensed matter systems: Multi-loop Aharonov-Bohm Feynman lattice path-integral analytical approach.

We investigate quantum interference effects--due to electron motion on lattices immersed in a magnetic field--in a variety of condensed matter systems. These effects arise from the interference between magnetic phase factors associated with different electron paths. The spirit of our approach follows Feynman's programme: to derive physical quantities in terms of "sums over paths". First, using sums-over-paths on the lattice, we derive the exact solution of the half-filled Fermi-sea ground-state energy of tight-binding spinless electrons in two-dimensional (2D) bipartite lattices. Second, we study quantum interference effects produced by tight-binding electrons on a 3D cubic lattice in a continuously-tunable magnetic field with arbitrary orientation. For this system, we obtain exact expressions for the total kinetic energy, magnetic moment, and orbital susceptibility. Third, from the sums of magnetic phase factors on closed paths, we compute--analytically and numerically--the superconducting-normal phase boundary for a variety of superconducting wire networks and Josephson junction arrays. Fourth, we study quantum interference effects for strongly localized electrons by exactly summing all forward-scattering paths between any initial and final sites. Closed-form results for the tunneling probability, with and without disorder, are obtained in 2D. An analytic expression for the magnetoconductance, valid for any dimension, is derived. The behavior of the magnetoconductance in the low flux regime--the range explored in most experiments--are examined in detail. Fifth, we study the electronic structure of single- and multiple-shell carbon fullerenes. The exact solution for $\pi$ and $\sigma$ states of a neutral C\sb{60} molecule are derived through the analytical application of both the recursion and moments methods. Finally, we study the electronic states of giant single-shell and nested multi-shell carbon fullerenes.Ph.D.PhysicsUniversity of Michigan, Horace H. Rackham School of Graduate Studieshttp://deepblue.lib.umich.edu/bitstream/2027.42/104654/1/9542894.pdfDescription of 9542894.pdf : Restricted to UM users only