Hole Doping Evolution of the Quasiparticle Band in Models of Strongly Correlated Electrons for the High-T_c Cuprates

Abstract

Quantum Monte Carlo (QMC) and Maximum Entropy (ME) techniques are used to study the spectral function $A({\bf p},ω)$ of the one band Hubbard model in strong coupling including a next-nearest-neighbor electronic hopping with amplitude $t'/t= -0.35$. These values of parameters are chosen to improve the comparison of the Hubbard model with angle-resolved photoemission (ARPES) data for $Sr_2 Cu O_2 Cl_2$. A narrow quasiparticle (q.p.) band is observed in the QMC analysis at the temperature of the simulation $T=t/3$, 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 $< n >$ decreases further away from half-filling, the chemical potential travels through this energy window with a large number of states, and by $< n > \sim 0.70$ it has crossed it entirely. The region near momentum $(0,π)$ and $(π,0)$ in the spectral function is more sensitive to doping than momenta along the diagonal from $(0,0)$ to $(π,π)$. 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 $(π,0)$ cross the Fermi energy, a prediction that could be tested with ARPES techniques applied to overdoped cuprates. The population of the q.p. band introduces a {\it 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 s-wave is found to compete with d-wave in the overdoped regime, i.e. when the chemical potential has almost entirely crossed the q.p.