Development of a microelectronic module Final report

Feasibility of operating gallium arsenide devices in high temperature microelectronic circuit

Ferromagnetism in Correlated Electron Systems: Generalization of Nagaoka's Theorem

Nagaoka's theorem on ferromagnetism in the Hubbard model with one electron less than half filling is generalized to the case where all possible nearest-neighbor Coulomb interactions (the density-density interaction $V$, bond-charge interaction $X$, exchange interaction $F$, and hopping of double occupancies $F'$) are included. It is shown that for ferromagnetic exchange coupling ($F>0$) ground states with maximum spin are stable already at finite Hubbard interaction $U>U_c$. For non-bipartite lattices this requires a hopping amplitude $t\leq0$. For vanishing $F$ one obtains $U_c\to\infty$ as in Nagaoka's theorem. This shows that the exchange interaction $F$ is important for stabilizing ferromagnetism at finite $U$. Only in the special case $X=t$ the ferromagnetic state is stable even for $F=0$, provided the lattice allows the hole to move around loops.Comment: 13 pages, uuencoded postscript, includes 1 table and 2 figure

Determining ethylene group disorder levels in κ\kappa-(BEDT-TTF)2_2Cu[N(CN)2_2]Br

We present a detailed structural investigation of the organic superconductor $\kappa$-(BEDT-TTF)$_2$Cu[N(CN)$_2$]Br at temperatures $T$ from 9 to 300 K. Anomalies in the $T$ dependence of the lattice parameters are associated with a glass-like transition previously reported at $T_g$ = 77 K. From structure refinements at 9, 100 and 300 K, the orthorhombic crystalline symmetry, space group {\it Pnma}, is established at all temperatures. Further, we extract the $T$ dependence of the occupation factor of the eclipsed conformation of the terminal ethylene groups of the BEDT-TTF molecule. At 300 K, we find 67(2) %, with an increase to 97(3) % at 9 K. We conclude that the glass-like transition is not primarily caused by configurational freezing-out of the ethylene groups

Off-diagonal Interactions, Hund's Rules and Pair-binding in Hubbard Molecules

We have studied the effect of including nearest-neighbor, electron-electron interactions, in particular the off-diagonal (non density-density) terms, on the spectra of truncated tetrahedral and icosahedral ``Hubbard molecules,'' focusing on the relevance of these systems to the physics of doped C$_{60}$. Our perturbation theoretic and exact diagonalization results agree with previous work in that the density-density term suppresses pair-binding. However, we find that for the parameter values of interest for $C_{60}$ the off-diagonal terms {\em enhance} pair-binding, though not enough to offset the suppression due to the density-density term. We also find that the critical interaction strengths for the Hund's rules violating level crossings in C$_{60}^{-2}$, C$_{60}^{-3}$ and C$_{60}^{-4}$ are quite insensitive to the inclusion of these additional interactions.Comment: 20p + 5figs, Revtex 3.0, UIUC preprint P-94-10-08

Effects of Next-Nearest-Neighbor Hopping on the Hole Motion in an Antiferromagnetic Background

In this paper we study the effect of next-nearest-neighbor hopping on the dynamics of a single hole in an antiferromagnetic (N\'{e}el) background. In the framework of large dimensions the Green function of a hole can be obtained exactly. The exact density of states of a hole is thus calculated in large dimensions and on a Bethe lattice with large coordination number. We suggest a physically motivated generalization to finite dimensions (e.g., 2 and 3). In $d=2$ we present also the momentum dependent spectral function. With varying degree, depending on the underlying lattice involved, the discrete spectrum for holes is replaced by a continuum background and a few resonances at the low energy end. The latter are the remanents of the bound states of the $t-J$ model. Their behavior is still largely governed by the parameters $t$ and $J$. The continuum excitations are more sensitive to the energy scales $t$ and $t_1$.Comment: To appear in Phys. Rev. B, Revtex, 23 pages, 10 figures available on request from [email protected]

Comparison of Variational Approaches for the Exactly Solvable 1/r-Hubbard Chain

We study Hartree-Fock, Gutzwiller, Baeriswyl, and combined Gutzwiller-Baeriswyl wave functions for the exactly solvable one-dimensional $1/r$-Hubbard model. We find that none of these variational wave functions is able to correctly reproduce the physics of the metal-to-insulator transition which occurs in the model for half-filled bands when the interaction strength equals the bandwidth. The many-particle problem to calculate the variational ground state energy for the Baeriswyl and combined Gutzwiller-Baeriswyl wave function is exactly solved for the~$1/r$-Hubbard model. The latter wave function becomes exact both for small and large interaction strength, but it incorrectly predicts the metal-to-insulator transition to happen at infinitely strong interactions. We conclude that neither Hartree-Fock nor Jastrow-type wave functions yield reliable predictions on zero temperature phase transitions in low-dimensional, i.e., charge-spin separated systems.Comment: 23 pages + 3 figures available on request; LaTeX under REVTeX 3.

Hole motion in the Ising antiferromagnet: an application of the recursion method

We study hole motion in the Ising antiferromagnet using the recursion method. Using the retraceable path approximation we find the hole's Green's function as well as its wavefunction for arbitrary values of $t/J_z$. The effect of small transverse interaction also is taken into account. Our results provide some additional insight into the self-consistent Born approximation.Comment: 8 pages, RevTex, no figures. Accepted for publication in Phys.Rev.

Improved stability regions for ground states of the extended Hubbard model

The ground state phase diagram of the extended Hubbard model containing nearest and next-to-nearest neighbor interactions is investigated in the thermodynamic limit using an exact method. It is found that taking into account local correlations and adding next-to-nearest neighbor interactions both have significant effects on the position of the phase boundaries. Improved stability domains for the $\eta$-pairing state and for the fully saturated ferromagnetic state at half filling have been constructed. The results show that these states are the ground states for model Hamiltonians with realistic values of the interaction parameters.Comment: 21 pages (10 figures are included) Revtex, revised version. To be published in Phys. Rev. B. E-mail: [email protected]

Robustness of a local Fermi Liquid against Ferromagnetism and Phase Separation

We study the properties of Fermi Liquids with the microscopic constraint of a local self-energy. In this case the forward scattering sum-rule imposes strong limitations on the Fermi-Liquid parameters, which rule out any Pomeranchek instabilities. For both attractive and repulsive interactions, ferromagnetism and phase separation are suppressed. Superconductivity is possible in an s-wave channel only. We also study the approach to the metal-insulator transition, and find a Wilson ratio approaching 2. This ratio and other properties of Sr_{1-x}La_xTiO_3 are all consistent with the local Fermi Liquid scenario.Comment: 4 pages (twocolumn format), can compile with or without epsf.sty latex style file -- Postscript files: fig1.ps and fig2.p

Propagation of a hole on a Neel background

We analyze the motion of a single hole on a N\'eel background, neglecting spin fluctuations. Brinkman and Rice studied this problem on a cubic lattice, introducing the retraceable-path approximation for the hole Green's function, exact in a one-dimensional lattice. Metzner et al. showed that the approximationalso becomes exact in the infinite-dimensional limit. We introduce a new approach to this problem by resumming the Nagaoka expansion of the propagator in terms of non-retraceable skeleton-paths dressed by retraceable-path insertions. This resummation opens the way to an almost quantitative solution of the problemin all dimensions and, in particular sheds new light on the question of the position of the band-edges. We studied the motion of the hole on a double chain and a square lattice, for which deviations from the retraceable-path approximation are expected to be most pronounced. The density of states is mostly adequately accounted for by the retra\-ce\-able-path approximation. Our band-edge determination points towards an absence of band tails extending to the Nagaoka energy in the spectrums of the double chain and the square lattice. We also evaluated the spectral density and the self-energy, exhibiting k-dependence due to finite dimensionality. We find good agreement with recent numerical results obtained by Sorella et al. with the Lanczos spectra decoding method. The method we employ enables us to identify the hole paths which are responsible for the various features present in the density of states and the spectral density.Comment: 26 pages,Revte