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arXiv:0709.3870 · Physical Review Letters

Two-Mode Variational Monte Carlo Study of Quasiparticle Excitations in Cuprate Superconductors

Fei Tan, Qiang-Hua Wang

Published Mar 21, 2008• 25 citations
arXivHTMLPDF

Abstract

Recent measurements of quasiparticles in hole-doped cuprates revealed highly unusual features: (i) the doping-independent Fermi velocity, (ii) two energy scales in the quasiparticle spectral function, and (iii) a suppression of the low-energy spectral weight near the zone center. We explain these important facts by a novel two-mode variational Monte Carlo (VMC) study of the t-J model, which resolves a long-standing issue of the sum rule for quasiparticle spectral weights in VMC studies. The electron-doped case is also discussed.

DOI
10.1103/physrevlett.100.117004

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Recent measurements of quasiparticles in hole-doped cuprates revealed highly unusual features: (i) the doping-independent Fermi velocity, (ii) two energy scales in the quasiparticle spectral function, and (iii) a suppression of the low-energy spectral weight near the zone center. We explain these important facts by a novel two-mode variational Monte Carlo (VMC) study of the t-J model, which resolves a long-standing issue of the sum rule for quasiparticle spectral weights in VMC studies. The electron-doped case is also discussed.
We present variational Monte Carlo (VMC) results for the Gutzwiller-projected coexisting state including both antiferromagnetic (AFM) order and superconducting (SC) order in the two-dimensional t-t'-t"-J model. By further considering off-site spin correlation between electrons, in contrast to earlier VMC results [Phys. Rev. Lett. 102, 027002 (2009)], we find the apparent competition between AFM order and SC order near the underdoped regime instead of coexistence. The local ferromagnetic correlation introduced by spin-spin Jastrow correlators seem to be responsible for the disappearance of the coexisting state. We also demonstrate that the quasiparticle spectral weight from upper (lower) AFM band are strongly diminished (enhanced) by the spin-spin correlation. This result obviously leads to the loss of antinodal electron pockets and the appearance of nodal hole pockets as passing from the AFM phase to the SC phase in hole-doped cuprates, which is in consistent with the observation by angle-resolved photoemission spectroscopy.
With the use of Gutzwiller-projected variational states, we study the renormalization of the current carried by the quasiparticles in high-temperature superconductors and of the quasiparticle spectral weight. The renormalization coefficients are computed by the variational Monte Carlo technique, under the assumption that quasiparticle excitations may be described by Gutzwiller-projected BCS quasiparticles. We find that the current renormalization coefficient decreases with decreasing doping and tends to zero at zero doping. The quasiparticle spectral weight Z+{Z}_{+}Z+​ for adding an electron shows an interesting structure in k\mathbf{k}k space, which corresponds to a depression of the occupation number nk{n}_{\mathbf{k}}nk​ just outside the Fermi surface. The perturbative corrections to those quantities in the Hubbard model are also discussed.
The momentum dispersion of the peak structure of the single-particle spectral weight A(p,\ensuremath{\omega}) of the two-dimensional Hubbard model is discussed. Using results obtained from Monte Carlo simulations on lattices up to 12\ifmmode\times\else\texttimes\fi{}12 in size, we determine the low-lying quasiparticle dispersion relation. This dispersion relation is anomalously flat near the (\ensuremath{\pi},0) and (0,\ensuremath{\pi}) points of the Brillouin zone, similar to the results of recent angular resolved photoemission measurements of the hole-doped cuprates. We argue that the generic nature of the quasiparticle dispersion relation observed in these materials arises from the strong Coulomb interaction and reflects the hole-spin correlations rather than the one-electron interactions which customarily determine the band structure.
t−Jt-Jt−J model one-electron renormalizations: high energy features in photoemission experiments of high-TcT_cTc​ cuprates
Recent angle-resolved photoemission experiments in hole doped cuprates reported new and interesting high energy features which may be useful for understanding the electronic properties of these materials. Using a perturbative approach, which allows the calculation of dynamical properties in the t−Jt-Jt−J model, one-electron spectral properties were calculated. A strongly renormalized quasiparticle band near the Fermi surface and incoherent spectra at high energy were obtained. Among different current experimental interpretations, the obtained results are closer to the interpretation given by Pan {\it et al.}\cite{pan}. The self-energy shows large high energy contributions which are responsible for the incoherent structures showed by the spectral functions and the reduction of the quasiparticle weight and bandwidth. According to the calculation, collective charge fluctuations are the main source for the self-energy renormalizations. For testing if the obtained self-energy is compatible with transport measurement the resistivity versus temperature was estimated.
Quantum Monte Carlo (QMC) and maximum-entropy techniques are used to study the spectral function $A(\mathbf{p},\ensuremath{\omega})$ of the one-band Hubbard model with strong coupling including a next-nearest-neighbor electronic hopping with amplitude ${t}^{\ensuremath{'}}/t=\ensuremath{-}0.35$. These values of parameters are chosen to improve the comparison of the Hubbard model with angle-resolved photoemission (ARPES) data for Sr2CuO2Cl2{\mathrm{Sr}}_{2}{\mathrm{CuO}}_{2}{\mathrm{Cl}}_{2}Sr2​CuO2​Cl2​. A narrow quasiparticle (qp) band is observed in the QMC analysis at the temperature of the simulation T=t/3T=t/3T=t/3, both at and away from half-filling. Such a narrow band produces a large accumulation of weight in the density of states at the top of the valence band. As the electronic density 〈n〉〈n〉〈n〉 decreases further away from half-filling, the chemical potential travels through this energy window with a large number of states, and by $〈n〉\ensuremath{\sim}0.70$ it has crossed it entirely. The region near momentum $(0,\ensuremath{\pi})$ and $(\ensuremath{\pi},0)$ in the spectral function is more sensitive to doping than momenta along the diagonal from (0,0)(0,0)(0,0) to $(\ensuremath{\pi},\ensuremath{\pi})$. The evolution with hole density of the quasiparticle dispersion contains some of the features observed in recent ARPES data in the underdoped regime. For sufficiently large hole densities the ``flat'' bands at $(\ensuremath{\pi},0)$ cross the Fermi energy, a prediction that could be tested with ARPES techniques applied to overdoped cuprates. The population of the qp band introduces a hidden density in the system which produces interesting consequences when the quasiparticles are assumed to interact through antiferromagnetic fluctuations and studied with the BCS gap-equation formalism. In particular, a region of extended sss-wave character is found to compete with the ddd wave in the overdoped regime, i.e., when the chemical potential has almost entirely crossed the qp band as 〈n〉〈n〉〈n〉 is reduced. The present study also shows that previous ``real-space'' pairing theories for the cuprates, such as the antiferromagnetic Van Hove scenario, originally constructed based on information gathered at half-filling, do not change their predictions if hole dispersions resembling noninteracting electrons with renormalized parameters are used.