arXiv subjects

T. M. Rice

Publications and source records attributed to T. M. Rice.

At least 55 records · Page 3Linked to original sources

arXiv2004

Optical Conductivity of Ortho-II YBa$_2$Cu$_3$O$_6.5$

The Ortho-II phase of YBa$_2$Cu$_3$O$_6.5$ is characterized by a periodic alternation of empty Cu and filled Cu-O b-axis doubling the unit cell in the a direction. The extra oxygen in the full chains gives rise to an attractive potential for the holes in the planes. The planar bands split in two with a gap opening at the new Brillouin zone boundary $k_x=\pm pi/2$, which we estimate from LDA calculations. Using a planar model which treats the d-wave superconductivity in a mean field approximation, we show that interband transitions produce a strongly anisotropic feature in the optical conductivity controlled by a region in k-space close to ($π/2,π/2$). The edge position of this feature gives information on the temperature dependence of quasiparticle spectrum in this region. Bilayer splitting would show up as a double edge shape.

cond-mat.supr-con↗

arXiv2004

Theory of the different photoemission spectra of metallic and insulating C60 compounds

Metallic K3C60 shows pronounced structure and a sharp Fermi edge in integrated photoemission spectra (PES) while the insulating K4C60 and K6C60 phases display only a broad structureless peak. We find that both types of spectra can be explained by the coupling to the optic vibrations of the K+/C60n- ionic lattice. This is suppressed in K3C60 due to metallic screening but is strong in the insulating phases. We use the non-crossing approximation to calculate the density of states (DOS) of electrons in K3C60 coupled to the intramolecular Hg modes in good agreement with the experiment. For K4C60 and K6C60 strong coupling to the low energy optic K+/C60n- modes controls the DOS and yields broad peaks in the PES. A moment expansion is used to calculate the position and width of these peaks which agree well with the experiment.

cond-mat.str-el↗

arXiv2004

d-Mott phases in one and two dimensions

We use exact diagonalization to determine the spectrum of reduced Hamiltonians based on renormalization group flows to strong coupling. For the half-filled two-leg Hubbard ladder we reproduce the known insulating d-Mott groundstate with spin and charge gaps. For the saddle point regions of the two-dimensional Hubbard model near half-filling we find a crossover to a similar strong coupling state, which truncates the Fermi surface near the saddle points. At lower scales d-wave superconductivity appears on the remaining Fermi surface.

cond-mat.str-el↗

arXiv2004

Orbital-selective Mott transitions in the degenerate Hubbard model

We investigate the Mott transitions in two-band Hubbard models with different bandwidths. Applying dynamical mean field theory, we discuss the stability of itinerant quasi-particle states in each band. We demonstrate that separate Mott transitions occur at different Coulomb interaction strengths in general, which merge to a single transition only under special conditions. This kind of behavior may be relevant for the physics of the single-layer ruthenates, Ca$_{2-x}$Sr$_x$RuO$_4$.

cond-mat.str-el↗

arXiv2003

A renormalised hamiltonian approach for a resonant valence bond wavefunction

The effective Hamiltonian of strongly correlated electrons on a square lattice is replaced by a renormalised Hamiltonian and the factors that renormalise the kinetic energy of holes and the Heisenberg spin-spin coupling are calculated using a Gutzwiller approximation scheme. The accuracy of this renormalisation procedure is tested numerically and found to be qualitatively excellent. Within the scheme a resonant valence bond (RVB) wavefunction is found at half-filling to be lower in energy than the antiferromagnetic state. If the wavefunction is expressed in fermion operators, local SU(2) and U(l) invariance leads to a redundancy in the representation. The introduction of holes removes these local invariances and we find that a d-wave RVB state is lowest in energy. This state has a superconducting order parameter whose amplitude is linear in the density of holes.

cond-mat.str-el↗

arXiv2003

Field- and pressure-induced magnetic quantum phase transitions in TlCuCl_3

Thallium copper chloride is a quantum spin liquid of S = 1/2 Cu^2+ dimers. Interdimer superexchange interactions give a three-dimensional magnon dispersion and a spin gap significantly smaller than the dimer coupling. This gap is closed by an applied hydrostatic pressure of approximately 2kbar or by a magnetic field of 5.6T, offering a unique opportunity to explore the both types of quantum phase transition and their associated critical phenomena. We use a bond-operator formulation to obtain a continuous description of all disordered and ordered phases, and thus of the transitions separating these. Both pressure- and field-induced transitions may be considered as the Bose-Einstein condensation of triplet magnon excitations, and the respective phases of staggered magnetic order as linear combinations of dimer singlet and triplet modes. We focus on the evolution with applied pressure and field of the magnetic excitations in each phase, and in particular on the gapless (Goldstone) modes in the ordered regimes which correspond to phase fluctuations of the ordered moment. The bond-operator description yields a good account of the magnetization curves and of magnon dispersion relations observed by inelastic neutron scattering under applied fields, and a variety of experimental predictions for pressure-dependent measurements.

cond-mat.str-el↗

arXiv2003

Single-Particle Spectrum in the Electron-Doped Cuprates

We study the evolution of the single-particle spectrum with electron doping in a scheme which adds multiple exchange of transverse spin excitations to the mean-field antiferromagnetic insulator. Away from half-filling small Fermi surface pockets appear first around the X-points, and simultaneously new spectral weight grows in the insulating gap. With further doping the in-gap states develop the character of a renormalized quasiparticle band near the chemical potential. The essential features in momentum-energy space agree well with recent studies using angle-resolved photoemission spectroscopy on electron-doped cuprates. We interpret the origins and the nature of the in-gap states using a simple variational wavefunction.

cond-mat.str-el↗

arXiv2002

Electronic Thermal Conductivity of Multi-Gap Superconductors with Application to MgB_2

The remarkable field dependence of the electronic thermal conductivity observed in MgB_2 can be explained as a consequence of multi-gap superconductivity. A key point is that for moderately clean samples, the mean free path becomes comparable to coherence length of the smaller gap over its entire Fermi surface. In this case, quasiparticle excitations bound in vortex cores can easily be delocalized causing a rapid rise in the thermal conductivity at low magnetic fields. This feature is in marked contrast to that for anisotropic or nodal gaps, where delocalization occurs only on part of the Fermi surface.

cond-mat.supr-con↗

arXiv2002

Magnon Dispersion in the Field-Induced Magnetically Ordered Phase of TlCuCl3

The magnetic properties of the interacting dimer system TlCuCl3 are investigated within a bond-operator formulation. The observed field-induced staggered magnetic order perpendicular to the field is described as a Bose condensation of magnons which are linear combinations of dimer singlet and triplet modes. This technique accounts for the magnetization curve and for the field dependence of the magnon dispersion curves observed by high-field neutron scattering measurements.

cond-mat.str-el↗

arXiv2002

Landau-Fermi liquid analysis of the 2D t-t' Hubbard model

We calculate the Landau interaction function f(k,k') for the two-dimensional t-t' Hubbard model on the square lattice using second and higher order perturbation theory. Within the Landau-Fermi liquid framework we discuss the behavior of spin and charge susceptibilities as function of the onsite interaction and band filling. In particular we analyze the role of elastic umklapp processes as driving force for the anisotropic reduction of the compressibility on parts of the Fermi surface.

cond-mat.str-el↗

arXiv2002

Flow to strong coupling in the two-dimensional Hubbard model

We extend the analysis of the renormalization group flow in the two-dimensional Hubbard model close to half-filling using the recently developed temperature flow formalism. We investigate the interplay of d-density wave and Fermi surface deformation tendencies with those towards d-wave pairing and antiferromagnetism. For a ratio of next nearest to nearest neighbor hoppings, t'/t=-0.25, and band fillings where the Fermi surface is inside the Umklapp surface, only the d-pairing susceptibility diverges at low temperatures. When the Fermi surface intersects the Umklapp surface close to the saddle points, d-wave pairing, d-density wave, antiferromagnetic and, to a weaker extent, d-wave Fermi surface deformation susceptibilities grow together when the interactions flow to strong coupling. We interpret these findings as indications for a non-trivial strongly coupled phase with short-ranged superconducting and antiferromagnetic correlations, in close analogy with the spin liquid ground state in the well-understood two-leg Hubbard ladder.

cond-mat.str-el↗

arXiv2002

First-order transition between a small-gap semiconductor and a ferromagnetic metal in the isoelectronic alloys FeSi$_{1-x}$Ge$_x$

The contrasting groundstates of isoelectronic and isostructural FeSi and FeGe can be explained within an extended local density approximation scheme (LDA+U) by an appropriate choice of the onsite Coulomb repulsion, $U$ on the Fe-sites. A minimal two-band model with interband interactions allows us to obtain a phase diagram for the alloys FeSi$_{1-x}$Ge$_{x}$. Treating the model in a mean field approximation, gives a first order transition between a small-gap semiconductor and a ferromagnetic metal as a function of magnetic field, temperature, and concentration, $x$. Unusually the transition from metal to insulator is driven by broadening, not narrowing, the bands and it is the metallic state that shows magnetic order.

cond-mat↗

arXiv2002

The transition between hole-pairs and four-hole clusters in four-leg tJ ladders

Holes weakly doped into a four-leg \tj ladder bind in pairs. At dopings exceeding a critical doping of $δ_c\simeq {1/8}$ four hole clusters are observed to form in DMRG calculations. The symmetry of the ground state wavefunction does not change and we are able to reproduce this behavior qualitatively with an effective bosonic model in which the four-leg ladder is represented as two coupled two-leg ladders and hole-pairs are mapped on hard core bosons moving along and between these ladders. At lower dopings, $δ<δ_c$, a one dimensional bosonic representation for hole-pairs works and allows us to calculate accurately the Luttinger liquid parameter $\krho$, which takes the universal value $\krho=1$ as half-filling is approached.

cond-mat.str-el↗

arXiv2001

Charge profile of surface doped C60

We study the charge profile of a C60-FET (field effect transistor) as used in the experiments of Schoen, Kloc and Batlogg. Using a tight-binding model, we calculate the charge profile treating the Coulomb interaction in a mean-field approximation. The charge profile behaves similarly to the case of a continuous space-charge layer, in particular it is confined to a single interface layer for doping higher than ~0.3 electron (or hole) per C60 molecule. The morahedral disorder of the C60 molecules smoothens the structure in the density of states.

cond-mat.supr-con↗

arXiv2001

Li Induced Spin and Charge Excitations in a Spin Ladder

A lithium dopant in a cuprate spin ladder acts as a vacant (non-magnetic) site accompanied by an extra hole bound by a Coulomb potential. We find that, although the undoped ladder spin gap is not essentially altered by Li doping, a dopant-magnon bound state appears within the gap. Contrary to the case of Zn-doped ladders, we predict that, in the Li-doped ladder, the spin liquid character is very robust against antiferromagnetism. We also predict the spatial dependence of the density of states in the vicinity of the dopant which could be measured by local spectroscopic probes.

cond-mat.str-el↗

arXiv2001

Mott-insulator transition in Ca(2-x)Sr(x)RuO4: A study of the electronic and magnetic properties

The electronic structures of the metallic and insulating phases of the alloy series Ca(2-x)Sr(x)RuO4 (0 <= x <= 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x=0) and a good metal (x=2). For x>0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S=1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2<x<0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x=0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal.

cond-mat.str-el↗

arXiv2001

Acoustic Plasmons in MgB2

We present strong evidence for the existence of an acoustic plasmon mode, that is, a quadrupolar charge collective mode with linear dispersion, in MgB2. This mode may be responsible for the anomalously small value of the Coulomb pseudopotential required to explain the high superconducting transition temperature of 40K.

cond-mat.supr-con↗

arXiv2001

Interband proximity effect and nodes of superconducting gap in Sr2RuO4

The power-law temperature dependences of the specific heat, the nuclear relaxation rate, and the thermal conductivity suggest the presence of line nodes in the superconducting gap of Sr2RuO4. These recent experimental observations contradict the scenario of a nodeless (k_x+ik_y)-type superconducting order parameter. We propose that interaction of superconducting order parameters on different sheets of the Fermi surface is a key to understanding the above discrepancy. A full gap exists in the active band, which drives the superconducting instability, while line nodes develop in passive bands by interband proximity effect.

cond-mat.supr-con↗