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arXiv:cond-mat/0503292 · Physical Review B

Effect of adiabatic phonons on striped and homogeneous ground states

Yucel Yildirim, Adriana Moreo

Published Oct 20, 2005• 3 citations
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Abstract

The effects of adiabatic phonons on a spin-fermion model for high ${T}_{c}$ cuprates are studied using numerical simulations. In the absence of electron-phonon interactions (EPI), stripes in the ground state are observed [C. Buhler, S. Yunoki, and A. Moreo, Phys. Rev. Lett. 84, 2690 (2000); Phys. Rev. B. 62, R3620 (2000)] for certain dopings while homogeneous states are stabilized in other regions of parameter space. Different modes of adiabatic phonons are added to the Hamiltonian: breathing, shear, and half-breathing modes. Diagonal and off-diagonal electron-phonon couplings are considered. It is observed that strong diagonal EPI generate stripes in previously homogeneous states, while in striped ground states an increase in the diagonal couplings tends to stabilize the stripes, inducing a gap in the density of states (DOS) and rendering the ground state insulating. The off-diagonal terms, on the other hand, destabilize the stripes creating inhomogeneous ground states with a pseudogap at the chemical potential in the DOS. The breathing mode stabilizes static diagonal stripes; while the half-breathing (shear) modes stabilize dynamical (localized) vertical and horizontal stripes. The EPI induces decoherence of the quasiparticle peaks in the spectral functions.

DOI
10.1103/physrevb.72.134516

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The effects of adiabatic phonons on a spin-fermion model for high Tc{T}_{c}Tc​ cuprates are studied using numerical simulations. In the absence of electron-phonon interactions (EPI), stripes in the ground state are observed [C. Buhler, S. Yunoki, and A. Moreo, Phys. Rev. Lett. 84, 2690 (2000); Phys. Rev. B. 62, R3620 (2000)] for certain dopings while homogeneous states are stabilized in other regions of parameter space. Different modes of adiabatic phonons are added to the Hamiltonian: breathing, shear, and half-breathing modes. Diagonal and off-diagonal electron-phonon couplings are considered. It is observed that strong diagonal EPI generate stripes in previously homogeneous states, while in striped ground states an increase in the diagonal couplings tends to stabilize the stripes, inducing a gap in the density of states (DOS) and rendering the ground state insulating. The off-diagonal terms, on the other hand, destabilize the stripes creating inhomogeneous ground states with a pseudogap at the chemical potential in the DOS. The breathing mode stabilizes static diagonal stripes; while the half-breathing (shear) modes stabilize dynamical (localized) vertical and horizontal stripes. The EPI induces decoherence of the quasiparticle peaks in the spectral functions.
We study the effect of diagonal and off-diagonal electron-phonon coupling in the ground state properties of the $t\text{\ensuremath{-}}J$ model. Adiabatic and quantum phonons are considered using Lanczos techniques. Charge tiles and stripe phases with mobile holes (localized holes) are observed at intermediate (large) values of the diagonal electron-phonon coupling. The stripes are stabilized by half-breathing modes, while the tiles arise due to the development of extended breathing modes. Off-diagonal terms destabilize the charge inhomogeneous structures with mobile holes by renormalizing the diagonal coupling but do not produce new phases. Buckling modes are also studied and they seem to induce a gradual phase separation between hole rich and hole poor regions. The pairing correlations are strongly suppressed when the holes are localized. However, in charge inhomogeneous states with mobile holes no dramatic changes, compared with the uniform state, are observed in the pairing correlations indicating that D-wave pairing and moderate electron-phonon interactions can coexist.
Using a variational Monte Carlo approach with a recently proposed stripe wave function, we showed that the strong correlation included in a $t\text{\ensuremath{-}}J$-type model has essentially all the necessary ingredients to form these stripes with modulations of charge density, spin magnetization, and pair field. If a perturbative effect of electron-phonon coupling to renormalize the effective mass or the hopping rate of holes is considered with the model, we find the half-doped stripes, which has on the average one half of a hole in one period of charge modulation, to be most stable energetic wise in the underdoped region, $1/12\ensuremath{\le}\ensuremath{\delta}\ensuremath{\le}1/8$. This is in good agreement with the observation in the neutron-scattering experiments. We also find long-range Coulomb interaction to be less effective in the formation of half-doped stripes.
The effective two-band $t\ensuremath{-}J$ Hamiltonian for holes in Cu-O planes of cuprates is obtained from the three-band Hubbard Hamiltonian. In this model a doped oxygen hole together with two neighboring copper holes is treated as a composite spin-12\frac{1}{2}21​ three-sites particle. The model is studied by exact diagonalization in a Cu16O32{\mathrm{Cu}}_{16}{\mathrm{O}}_{32}Cu16​O32​ square cluster. Both binding energy and hole-hole correlation function indicate that two holes bind together for J/t>0.11J/t>0.11J/t>0.11 and are predominantly located on the next-nearest oxygen sites in the same Cu-O chain. Electron-phonon interaction is studied in the adiabatic phonons approximation. Copper (\ensuremath{\pi},0) ``half-breathing'' mode is shown to couple strongly to doped holes and increase the hole-hole correlation as well as the binding energy. These results are compared with experimental data.
Abstract Several state-of-the-art numerical methods have observed static or fluctuating spin and charge stripes in doped two-dimensional Hubbard models, suggesting that these orders play a significant role in shaping the cuprate phase diagram. Many experiments, however, also indicate that the cuprates have strong electron-phonon (e-ph) coupling, and it is unclear how this interaction influences stripe correlations. We study static and fluctuating stripe orders in the doped single-band Hubbard-Holstein model using zero temperature variational Monte Carlo and finite temperature determinant quantum Monte Carlo. We find that the lattice couples more strongly with the charge component of the stripes, leading to an enhancement or suppression of stripe correlations, depending on model parameters like the next-nearest-neighbor hopping t′{t}^{{\prime} }t′ t′ or phonon energy Ω. Our results help elucidate how thee-ph interaction can tip the delicate balance between stripe and superconducting correlations in the Hubbard-Holstein model with implications for our understanding of the high-Tccuprates.
We carry out the variational Monte Carlo calculation to examine spatially inhomogeneous states in hole- and electron-doped cuprates. By using Gutzwiller approximation, we consider the excitations, arising from charge density, spin density and pair field, of the mean-field ground state of the t-J model. It leads to the stripe patterns we have found numerically in a generalized t-J-type model including mass renormalization from the electron-phonon coupling. In the hole-doped side, a robust d-wave superconducting order results in the formation of the half-doped antiferromagnetic resonating-valence-bond (AF-RVB) stripes shown by the well-known Yamada plot. On the other hand, due to a long-range AF order in electron-doped materials, a stripe structure with the "in-phase" magnetic domain (IPMD) is obtained in the underdoped regime instead of the AF-RVB stripe. The IPMD stripe with the largest period permitted by lattice size is stabilized near the underdoped region and it excludes the Yamada plot from electron-doped cases. Based on finite lattice size to which we can reach, the existence of IPMD stripes may imply an electronic phase separation into an electron-rich and an insulating half-filled AF long-range ordered domains in electron-doped compounds.
We carry out the variational Monte Carlo calculation to examine spatially inhomogeneous states in hole- and electron-doped cuprates. By using Gutzwiller approximation, we consider the excitations, arising from charge density, spin density, and pair field, of the mean-field ground state of the ttt-JJJ model. It leads to the stripe patterns we have found numerically in a generalized ttt-JJJ-type model including mass renormalization from the electron-phonon coupling. In the hole-doped side, a robust ddd-wave superconducting order results in the formation of the half-doped antiferromagnetic resonating-valence-bond (AF-RVB) stripes shown by the well-known Yamada plot. On the other hand, due to a long-range AF order in electron-doped materials, a stripe structure with the ``in-phase'' magnetic domain (IPMD) is obtained in the underdoped regime instead of the AF-RVB stripe. The IPMD stripe with the largest period permitted by lattice size is stabilized near the underdoped region and it excludes the Yamada plot from electron-doped cases. Based on finite lattice size to which we can reach, the existence of IPMD stripes may imply an electronic phase separation into an electron-rich and an insulating half-filled AF long-range ordered domains in electron-doped compounds.