Single-hole dispersion relation for the real Cu<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">O</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>plane

Abstract

Dispersion relation for the Cu${\mathrm{O}}_{2}$ hole is calculated based on the generalized $t\ensuremath{-}{t}^{\ensuremath{'}}\ensuremath{-}J$ model, recently derived from the three-band one. Numerical ranges for all model parameters, $\frac{t}{J}=2.4\ensuremath{-}2.7$, $\frac{{t}^{\ensuremath{'}}}{t}=0.0 \mathrm{to} \ensuremath{-}0.25$, $\frac{{t}^{\ensuremath{'}\ensuremath{'}}}{t}=0.1\ensuremath{-}0.15$, and three-site terms $2{t}_{N}\ensuremath{\sim}{t}_{S}\ensuremath{\sim}\frac{J}{4}$ have been strongly justified previously. Physical reasons for their values are also discussed. A self-consistent Born approximation is used for the calculation of the hole dispersion. Good agreement between calculated ${E}_{\mathrm{k}}$ and one obtained from the angle-resolved photoemission experiments is found. A possible explanation of the broad peaks in the experimental energy distribution curves at the top of the hole band is presented.