Numerical study of quantum percolation
We study the density of states and the optical conductivity of the classical double-exchange model on a site percolated cluster.
cond-mat↗
arXiv subjects
H. Fehske
Publications and source records attributed to H. Fehske.
Magnetic order in the quasi-two-dimensional easy-plane XXZ model
A Green's-function theory of antiferromagnetic short-range and long-range order (LRO) in the $S=1/2$ quasi-two-dimensional easy-plane XXZ model is presented. As the main new result, {\it two} phase transitions due to the combined influence of spatial and spin anisotropy are found, where below the higher and lower Néel temperature there occurs LRO in the transverse and in both the transverse and longitudinal spin correlators, respectively. Comparing the theory with neutron-scattering data for the correlation length of $\rm La_2CuO_4$, a very good agreement in the whole temperature dependence is obtained. Moreover, for $\rm La_2CuO_4$, $\rm Sr_2CuO_2Cl_2$, and $\rm Ca_{0.85}Sr_{0.15}CuO_2$ the second phase with longitudinal LRO is predicted to appear far below room temperature.
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Considerations on the quantum double-exchange Hamiltonian
Schwinger bosons allow for an advantageous representation of quantum double-exchange. We review this subject, comment on previous results, and address the transition to the semiclassical limit. We derive an effective fermionic Hamiltonian for the spin-dependent hopping of holes interacting with a background of local spins, which is used in a related publication within a two-phase description of colossal magnetoresistant manganites.
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Competition of Zener and polaron phases in doped CMR manganites
Inspired by the strong experimental evidence for the coexistence of localized and itinerant charge carriers close to the metal-insulator transition in the ferromagnetic phase of colossal magnetoresistive manganese perovskites, for a theoretical description of the CMR transition we propose a two-phase scenario with percolative characteristics between equal-density polaron and Zener band-electron states. We find that the subtle balance between these two states with distinctly different electronic properties can be readily influenced by varying physical parameters, producing various ``colossal'' effects, such as the large magnetization and conductivity changes in the vicinity of the transition temperature.
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Spin correlation functions and susceptibilities in the easy-plane XXZ chain
We present a Green's-function theory of magnetic short-range order in the $S=1/2$ easy-plane XXZ chain based on the projection method for the dynamic spin susceptibility and a decoupling of three-spin operator products introducing vertex parameters. The longitudinal and transverse static susceptibilities and two-point correlation functions of arbitrary range are calculated self-consistently for all wavenumbers, temperatures, and anisotropy parameters $ -1\leq Δ\leq 1$. In the easy-plane ferromagnetic region $(Δ< 0)$, the longitudinal correlators of spins at distance $n$ change sign at a finite temperature $T_0(n,Δ)$, in reasonable agreement with recent data obtained by finite-chain diagonalizations. The temperature dependence of the uniform static susceptibilities exhibits a maximum which is explained as an effect of magnetic short-range order which decreases with increasing temperature.
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Quantum to classical crossover in the 2D easy-plane XXZ model
Ground-state and thermodynamical properties of the spin-1/2 two-dimensional easy-plane XXZ model are investigated by both a Green's-function approach and by Lanczos diagonalizations on lattices with up to 36 sites. We calculate the spatial and temperature dependences of various spin correlation functions, as well as the wave-vector dependence of the spin susceptibility for all anisotropy parameters $Δ$. In the easy--plane ferromagnetic region $(-1< Δ< 0)$, the longitudinal correlators of spins at distance $r$ change sign at a finite temperature $T_0(Δ, {\bf r})$. This transition, observed in the 2D case for the first time, can be interpreted as a quantum to classical crossover.
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Optimized phonon approach for the diagonalization of electron-phonon problems
We propose a new optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems combining density-matrix and Lanczos algorithms. We demonstrate the reliablity of this approach by calculating the phase diagram for bi-polaron formation in the one-dimensional Holstein-Hubbard model, and the Luttinger parameters for the metallic phase of the half-filled one-dimensional Holstein model of spinless fermions.
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Lattice polaron formation: Effects of non-screened electron-phonon interaction
We explore the quasiparticle properties of lattice polarons on the basis of a quite general electron-phonon Hamiltonian with a long-range displacement-type of interaction. To treat the dynamical quantum phonons without significant loss of accuracy we adapt an exact Lanczos diagonalization method and compute various static and dynamical quantities, such as the electron-lattice correlation function, the polaron band dispersion, the effective polaron mass, the kinetic energy, the single-particle spectral function, and the optical conductivity, on finite one-dimensional lattices for a wide range of model parameters. We compare the results with those obtained for the standard Holstein model with short-range electron-phonon interaction only.
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Spin correlation functions and Néel order in the 2D Heisenberg model: Effects of spatial anisotropy
The ground-state properties of the square-lattice spin-1/2 Heisenberg antiferromagnet with spatially anisotropic couplings are investigated by Green's-function projection approaches. The staggered magnetization and the two-spin correlators are calculated; the competition between magnetic long- and short-range order is discussed in comparison with experiments on $\rm Sr_2[Ca_2]CuO_3$.
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Local mode behaviour in quasi-1D CDW systems
We analyze numerically the ground-state and spectral properties of the three-quarter filled Peierls-Hubbard Hamiltonian. Various charge- and spin-ordered states are identified. In the strong-coupling regime, we find clear signatures of local lattice distortions accompanied by intrinsic multi-phonon localization. The results are discussed in relation to recent experiments on MX chain [-PtCl-] complexes. In particular we are able to reproduce the observed red shift of the overtone resonance Raman spectrum.
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Magnetic Order-Disorder Transition in the Two-Dimensional Spatially Anisotropic Heisenberg Model at Zero Temperature
The ground-state properties of the spin-1/2 antiferromagnetic Heisenberg model with spatially anisotropic couplings on a square lattice are investigated by a spin-rotation-invariant Green's-function approach and by Lanczos diagonalizations on lattices up to 36 sites supplemented by finite-size scaling. We focus on the anisotropy-driven transition from the Néel state to a paramagnetic state with antiferromagnetic short-range order and on the spatial dependence of spin correlation functions. Our principal result is that a rather sharp crossover in the magnetic behavior occurs at the coupling ratio $R_0\simeq 0.2$ ($R=J_y/J_x$).
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Quantum lattice fluctuations in a frustrated Heisenberg spin-Peierls chain
As a simple model for spin-Peierls systems we study a frustrated Heisenberg chain coupled to optical phonons. In view of the anorganic spin-Peierls compound CuGeO3 we consider two different mechanisms of spin-phonon coupling. Combining variational concepts in the adiabatic regime and perturbation theory in the anti-adiabatic regime we derive effective spin Hamiltonians which cover the dynamical effect of phonons in an approximate way. Ground-state phase diagrams of these models are determined, and the effect of frustration is discussed. Comparing the properties of the ground state and of low-lying excitations with exact diagonalization data for the full quantum spin phonon models, good agreement is found especially in the anti-adiabatic regime.
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Peierls instability and optical response in the one--dimensional half--filled Holstein model of spinless fermions
The effects of quantum lattice fluctuations on the Peierls transition are studied within the one--dimensional Holstein molecular crystal model by means of exact diagonalization methods. Applying a very efficient variational Lanczos technique, the ground--state phase diagram is obtained in excellent agreement with predictions of recent density matrix renormalization group calculations. The transition to the charge--density--wave regime is signaled by a strong increase in the charge structure factor. In the metallic regime, the non--universal Luttinger liquid parameters (charge velocity and coupling constant) are deduced from a finite--size scaling analysis. The variational results are supported by a complete numerical solution of the quantum phonon Holstein model on small clusters, which is based on a well--controlled phonon Hilbert space truncation procedure. The metallic and charge--density--wave phases are characterized by significant differences in the calculated optical absorption spectra.
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Spin excitations in ferromagnetic manganites
An effective one-band Hamiltonian for colossal-magnetoresistance (CMR) manganites is constructed and the spin excitations are determined. Fitting the experimental data by the derived spin-wave dispersion gives an e_g -electron hopping amplitude of about 0.2 eV in agreement with LDA band calculations.
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Lattice Dimerization in the Spin-Peierls Compound CuGeO$_3$
The uniaxial pressure dependences of the exchange coupling and the structural distortion in the dimerized phase of CuGeO$_3$ are analyzed. A minimum magnetic dimerization of 3 % is obtained, incompatible with an adiabatic approach to the spin-Peierls transition. Exploring the properties of an Heisenberg spin chain with dynamical spin-phonon coupling, the dimerization dependence of the spin excitation gap is found to be in qualitative agreement with experiment.
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A new model to describe the physics of VOPO
In the past different models for the magnetic salt vanadyl pyrophosphate (VOPO) were discussed. Neither a spin ladder nor an alternating chain are capable to describe recently measured magnetic excitations. In this paper we propose a 2D model that fits better to experimental observations.
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Optical absorption and single-particle excitations in the 2D Holstein t-J model
To discuss the interplay of electronic and lattice degrees of freedom in systems with strong Coulomb correlations we have performed an extensive numerical study of the two-dimensional Holstein t-J model. The model describes the interaction of holes, doped in a quantum antiferromagnet, with a dispersionsless optical phonon mode. We apply finite-lattice Lanczos diagonalization, combined with a well-controlled phonon Hilbert space truncation, to the Hamiltonian. The focus is on the dynamical properties. In particular we have evaluated the single-particle spectral function and the optical conductivity for characteristic hole-phonon couplings, spin exchange interactions and phonon frequencies. The results are used to analyze the formation of hole polarons in great detail. Links with experiments on layered perovskites are made. Supplementary we compare the Chebyshev recursion and maximum entropy algorithms, used for calculating spectral functions, with standard Lanczos methods.
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Peierls Dimerization with Non-Adiabatic Spin-Phonon Coupling
We study the magnetic properties of a frustrated Heisenberg spin chain with a dynamic spin-phonon interaction. By Lanczos diagonalization, preserving the full lattice dynamics, we explore the non-adiabatic regime with phonon frequencies comparable to the exchange coupling energy which is e.g. the relevant limit for the spin-Peierls compound $CuGeO_3$. When compared to the static limit of an alternating spin chain the magnetic properties are strongly renormalized due to the coupled dynamics of spin and lattice degrees of freedom. The magnitude of the spin triplet excitation gap changes from a strong to a weak dimerization dependence with increasing phonon frequencies implying the necessity to include dynamic effects in an attempt for a quantitative description of the spin-Peierls state.
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