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H. Fehske

Publications and source records attributed to H. Fehske.

159 records · Page 9Linked to original sources
arXiv1997

On the self-trapping problem of electrons or excitons in one dimension

We present a detailed numerical study of the one-dimensional Holstein model with a view to understanding the self-trapping process of electrons or excitons in crystals with short-range particle-lattice interactions. Applying a very efficient variational Lanczos method, we are able to analyze the ground-state properties of the system in the weak-- and strong-coupling, adiabatic and non-adiabatic regimes on lattices large enough to eliminate finite-size effects. In particular, we obtain the complete phase diagram and comment on the existence of a critical length for self-trapping in spatially restricted one-dimensional systems. In order to characterize large and small polaron states we calculate self-consistently the lattice distortions and the particle-phonon correlation functions. In the strong-coupling case, two distinct types of small polaron states are shown to be possible according to the relative importance of static displacement field and dynamic polaron effects. Special emphasis is on the intermediate coupling regime, which we also study by means of direct diagonalization preserving the full dynamics and quantum nature of phonons. The crossover from large to small polarons shows up in a strong decrease of the kinetic energy accompanied by a substantial change in the optical absorption spectra. We show that our numerical results in all important limiting cases reveal an excellent agreement with both analytical perturbation theory predictions and very recent density matrix renormalization group data.

cond-mat.str-el↗
arXiv1997

Spectral properties of the 2D Holstein polaron

The two-dimensional Holstein model is studied by means of direct Lanczos diagonalization preserving the full dynamics and quantum nature of phonons. We present numerical exact results for the single-particle spectral function, the polaronic quasiparticle weight, and the optical conductivity. The polaron band dispersion is derived both from exact diagonalization of small lattices and analytic calculation of the polaron self-energy.

cond-mat↗
arXiv1997

Polaron band formation in the Holstein model

We present numerical exact results for the polaronic band structure of the Holstein molecular crystal model in one and two dimensions. The use of direct Lanczos diagonalization technique, preserving the full dynamics and quantum nature of phonons, allows us to analyze in detail the renormalization of both quasiparticle bandwidth and dispersion by the electron-phonon interaction. For the two-dimensional case some of our exact data are compared with the results obtained in the framework of a recently developed finite cluster strong-coupling perturbation theory.

cond-mat↗
arXiv1997

Effective one-band electron-phonon Hamiltonian for nickel perovskites

Inspired by recent experiments on the Sr-doped nickelates, $La_{2-x}Sr_xNiO_4$, we propose a minimal microscopic model capable to describe the variety of the observed quasi-static charge/lattice modulations and the resulting magnetic and electronic-transport anomalies. Analyzing the motion of low-spin (s=1/2) holes in a high-spin (S=1) background as well as their their coupling to the in-plane oxygen phonon modes, we construct a sort of generalized Holstein t-J Hamiltonian for the $NiO_2$ planes, which contains besides the rather complex ``composite-hole'' hopping part non-local spin-spin and hole-phonon interaction terms.

cond-mat↗
arXiv1996

On the stability of polaronic superlattices in strongly coupled electron-phonon systems

We investigate the interplay of electron-phonon (EP) coupling and strong electronic correlations in the frame of the two-dimensional (2D) Holstein t-J model (HtJM), focusing on polaronic ordering phenomena for the quarter-filled band case. The use of direct Lanczos diagonalization on finite lattices allows us to include the effects of quantum phonon fluctuations in the calculation of spin/charge structure factors and hole-phonon correlation functions. In the adiabatic strong coupling regime we found evidence for ``self-localization'' of polaronic carriers in a $(π,π)$ charge-modulated structure, a type of superlattice solidification reminiscent of those observed in the nickel perovskites $La_{2-x}Sr_{x}NiO_{4+y}$.

cond-mat.str-el↗
arXiv1996

Spectral properties of the 2D Holstein t-J model

Employing the Lanczos algorithm in combination with a kernel polynomial moment expansion (KPM) and the maximum entropy method (MEM), we show a way of calculating charge and spin excitations in the Holstein t-J model, including the full quantum nature of phonons. To analyze polaron band formation we evaluate the hole spectral function for a wide range of electron-phonon coupling strengths. For the first time, we present results for the optical conductivity of the 2D Holstein t-J model.

cond-mat.str-el↗
arXiv1996

Magnetic properties of the 2D t-t'-Hubbard model

The two-dimensional (2D) t-t'-Hubbard model is studied within the slave-boson (SB) theory. At half-filling, a paramagnetic to antiferromagnetic phase transition of first order at a finite critical interaction strength U_c(t'/t) is found. The dependences on U/t and t'/t of the sublattice magnetization and of the local magnetic moment are calculated. Our results reasonably agree with recent (Projector) Quantum Monte Carlo data. The SB ground-state phase diagram reveals a t'-induced electron-hole asymmetry, and, depending on the ratio t'/t, the antiferromagnetic or ferromagnetic phases are stable down to U=0 at a critical hole doping.

cond-mat↗
arXiv1996

Polaronic effects in strongly coupled electron-phonon systems: Exact diagonalization results for the 2D Holstein t-J model

Ground-state and dynamical properties of the 2D Holstein t-J model are examined by means of direct Lanczos diagonalization, using a truncation method of the phononic Hilbert space. The single-hole spectral function shows the formation of a narrow hole-polaron band as the electron-phonon coupling increases, where the polaronic band collapse is favoured by strong Coulomb correlations. In the two-hole sector, the hole-hole correlations unambiguously indicate the existence of inter-site bipolaronic states. At quarter-filling, a polaronic superlattice is formed in the adiabatic strong-coupling regime.

cond-mat↗
arXiv1996

Theory of magnetic short-range order for itinerant electron systems

On the basis of the one--band t-t'-Hubbard model a self-consistent renormalization theory of magnetic short--range order (SRO) in the paramagnetic phase is presented combining the four-field slave-boson functional-integral scheme with the cluster variational method. Contrary to previous SRO approaches the SRO is incorporated at the saddle-point and pair-approximation levels. A detailed numerical evaluation of the theory is performed at zero temperature, where both the hole- and electron-doped cases as well as band-structure effects are studied. The ground--state phase diagram shows the suppression of magnetic long-range order in favour of a paramagnetic phase with antiferromagnetic SRO in a wide doping region. In this phase the uniform static spin susceptibility increases upon doping up to the transition to the Pauli paraphase. Comparing the theory with experiments on high--T_c cuprates a good agreement is found.

cond-mat↗
arXiv1996

Interplay of charge and spin correlations in nickel perovskites

Analyzing the motion of low--spin $(s=1/2)$ holes in a high--spin $(S=1)$ background, we derive a sort of generalized t--J Hamiltonian for the $\rm NiO_2$ planes of Sr--doped nickelates. In addition to the rather complex carrier--spin and spin--spin couplings we take into account the coupling of the doped holes to in--plane oxygen breathing modes by a Holstein--type interaction term. Because of strong magnetic confinement effects the holes are nearly entirely prelocalized and the electron--phonon coupling becomes much more effective in forming polarons than in the isostructural cuprates. In the light of recent experiments on $\rm La_{2-x}Sr_xNiO_4$ we discuss how the variety of the observed transport and charge/spin--ordering phenomena can be qualitatively understood in terms of our model Hamiltonian.

cond-mat↗
arXiv1996

Theory of short-range magnetic order for the t-J model

We present a self-consistent theory of magnetic short-range order based on a spin-rotation-invariant slave-boson representation of the 2D t-J model. In the functional-integral scheme, at the nearest-neighbour pair-approximation level, the bosonized t-J Lagrangian is transformed to a classical Heisenberg model with an effective (doping-dependent) exchange interaction which takes into account the interrelation of ``itinerant'' and ``localized'' magnetic behaviour. Evaluating the theory in the saddle-point approximation, we find a suppression of antiferromagnetic and incommensurate spiral long-range-ordered phases in the favour of a paramagnetic phase with pronounced antiferromagnetic short-range correlations.

cond-mat↗
arXiv1996

Theory of Magnetic Short--Range Order for High-T_c Superconductors

A theory of magnetic short--range order for high--$T_c$ cuprates is presented on the basis of the one--band $t$--$t^{\prime}$--Hubbard model combining the four--field slave--boson functional integral technique with the Bethe cluster method. The ground--state phase diagram evaluated self--consistently at the saddle--point and pair--approximation levels shows the experimentally observed suppression of magnetic long--range order in the favour of a paraphase with antiferromagnetic short--range order. In this phase the uniform static spin susceptibility consists of interrelated itinerant and local parts and increases upon doping up to the transition to the Pauli paraphase. Using realistic values of the Hubbard interaction we obtain the cusp position and the doping dependence of the zero--temperature susceptibility in reasonable agreement with experiments on $\rm La_{2-δ}Sr_δCuO_4$.

cond-mat↗
arXiv1996

Spin susceptibility and magnetic short-range order in the Hubbard model

The uniform static spin susceptibility in the paraphase of the one-band Hubbard model is calculated within a theory of magnetic short--range order (SRO) which extends the four-field slave-boson functional-integral approach by the trans- formation to an effective Ising model and the self-consistent incorporation of SRO at the saddle point. This theory describes a transition from the paraphase without SRO for hole dopings $δ> δ_{c_2}$ to a paraphase with anti- ferromagnetic SRO for $δ_{c_1} < δ< δ_{c_2}$. In this region the susceptibility consists of interrelated `itinerant' and `local' parts and increases upon doping. The zero--temperature susceptibility exhibits a cusp at $δ_{c_2}$ and reduces to the usual slave-boson result for larger dopings. Using the realistic value of the on--site Coulomb repulsion $U=8t$ for LSCO, the peak position ($δ_{c_2} = 0.26$) as well as the doping dependence reasonably agree with low--temperature susceptibility experiments showing a maximum at a hole doping of about 25\%.

cond-mat↗
arXiv1995

Polarons and bipolarons in strongly interacting electron-phonon systems

The Holstein Hubbard and Holstein t--J models are studied for a wide range of phonon frequencies, electron--electron and electron--phonon interaction strengths on finite lattices with up to ten sites by means of direct Lanczos diagonalization. Previously the necessary truncation of the phononic Hilbert space caused serious limitations to either very small systems (four or even two sites) or to weak electron--phonon coupling, in particular in the adiabatic regime. Using parallel computers we were able to investigate the transition from `large' to `small' polarons in detail. By resolving the low--lying eigenstates of the Hamiltonian and by calculating the spectral function we can identify a polaron band in the strong--coupling case, whose dispersion deviates from the free--particle dispersion at low and intermediate phonon frequencies. For two electrons (holes) we establish the existence of bipolaronic states and discuss the formation of a bipolaron band. For the 2D Holstein t--J model we demonstrate that the formation of hole--polarons is favoured by strong Coulomb correlations. Analyzing the hole--hole correlation functions we find that hole binding is enhanced as a dynamical effect of the electron--phonon interaction.

cond-mat↗