arXiv subjects

S. C. Erwin

Publications and source records attributed to S. C. Erwin.

25 records · Page 2Linked to original sources

arXiv1994

Commensurate and modulated magnetic phases in orthorhombic A1C60

Competing magnetically ordered structures in polymerized orthorhombic A1C60 are studied. A mean-field theory for the equilibrium phases is developed using an Ising model and a classical Heisenberg model to describe the competition between inter- and intra-chain magnetic order in the solid. In the Ising model, the limiting commensurate one-dimensional and three-dimensional phases are separated by a commensurate three-sublattice state and by two sectors containing higher-order commensurate phases. For the Heisenberg model the quasi-1D phase is never the equilibrium state; instead the 3D commensurate phases exhibits a transition to a continuum of coplanar spiral magnetic phases.

mtrl-th↗

arXiv1994

Three-dimensional electronic instabilities in polymerized solid A1C60

The low-temperature structure of A1C60 (A=K, Rb) is an ordered array of polymerized C60 chains, with magnetic properties that suggest a non-metallic ground state. We study the paramagnetic state of this phase using first-principles electronic-structure methods, and examine the magnetic fluctuations around this state using a model Hamiltonian. The electronic and magnetic properties of even this polymerized phase remain strongly three dimensional, and the magnetic fluctuations favor an unusual three-dimensional antiferromagnetically ordered structure with a semi-metallic electronic spectrum.

mtrl-th↗

arXiv1994

Three-dimensional electronic instabilities in polymerized solid A1C60

cond-mat↗

arXiv1994

Electron Propagation in Orientationally Disordered Fullerides

We study the electronic spectrum for doped electronic states in the orientationally disordered M3C60 fullerides. Momentum-resolved Green's functions are calculated within a cluster-Bethe-lattice model, and compared with results from calculations on periodically repeated supercells containing quenched orientational disorder. Despite the relatively strong scattering from orientational fluctuations, the electronic states near the Fermi energy are well described by propagating states characterized by an effective Bloch wave vector, and a mean free path of approximately 20 Angstroms. The effective Fermi surface is calculated in this model. This differs from that previously calculated for the orientationally ordered crystal, but is relatively well described within a disorder-averaged virtual-crystal Hamiltonian, which we derive.

cond-mat↗

arXiv1994

Tight-Binding Parametrization of First-Principles Electronic Dispersion in Orientationally Disordered A3c60

We derive numerical tight-binding hopping parameters to describe conduction-band dispersion in arbitrary orientational phases of $A_3$C$_{60}$. The parameters are obtained by direct Fourier inversion of the spectra from self-consistent electronic-structure calculations for K$_3$C$_{60}$ using the local-density approximation, including the effects of orientational dependence. Using the new parameters, we revisit several earlier investigations of the orientational ordering in $A_3$C$_{60}$; some of the earlier results are substantiated, while others are slightly modified.

cond-mat↗

arXiv1993

Effective-Medium Theory for the Normal State in Orientationally Disordered Fullerides

An effective-medium theory for studying the electronic structure of the orientationally disordered A3C60 fullerides is developed and applied to study various normal-state properties. The theory is based on a cluster-Bethe-lattice method in which the disordered medium is modelled by a three-band Bethe lattice, into which we embed a molecular cluster whose scattering properties are treated exactly. Various single-particle properties and the frequency-dependent conductivity are calculated in this model, and comparison is made with numerical calculations for disordered lattices, and with experiment.

cond-mat↗

arXiv1992

Anisotropic Pairing on a Three-Band Fermi Surface for $A_3{\rm C}_{60}$

We study a model for anisotropic singlet pairing in $A_3{\rm C}_{60}$, using a realistic model for the Fermi surface in a hypothesized orientationally-ordered doped crystal. Anisotropic solutions are studied by combining numerical solutions to the gap equation in the low-temperature phase with a Landau expansion near the mean field critical temperature. We focus on a class of three-dimensional nodeless $d$-wave solutions to the model, which exhibit a fully developed gap everywhere on the Fermi surface, but non-BCS temperature dependence of the order parameter in the condensed state, a relatively large value of the low-temperature gap, $2Δ/kT_{\rm c}$ , and non-BCS structure in the quasiparticle spectrum near the gap.

cond-mat↗