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Oxygen on-site Coulomb energy in Pr_(1.3-x)La_(0.7)Ce_xCuO₄ and Bi₂Sr₂CaCu₂O_(8+δ) and its relation with Heisenberg exchange

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arxiv 2303.05716 v1 pith:CEERXC3W submitted 2023-03-10 cond-mat.str-el cond-mat.supr-con

Oxygen on-site Coulomb energy in Pr_(1.3-x)La_(0.7)Ce_xCuO₄ and Bi₂Sr₂CaCu₂O_(8+δ) and its relation with Heisenberg exchange

classification cond-mat.str-el cond-mat.supr-con
keywords energybi2212coulombon-sitetildeanalysiscorrelationdelta
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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We study the electronic structure of electron-doped Pr$_{1.3-x}$La$_{0.7}$Ce$_{x}$CuO$_{4}$ (PLCCO ; $T_{c}$ = 27 K, x = 0.1) and hole-doped Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ (Bi2212 ; $T_{c}$ = 90 K) cuprate superconductors using x-ray absorption spectroscopy (XAS) and resonant photoemission spectroscopy (Res-PES). From Res-PES across the O K-edge and Cu L-edge, we identify the O 2p and Cu 3d partial density of states (PDOS) and their correlation satellites which originate in two-hole Auger final states. Using the Cini-Sawatzky method, analysis of the experimental O 2p PDOS shows an oxygen on-site Coulomb energy for PLCCO to be $U_{p}$ = 3.3$\pm$0.5 eV and for Bi2212, $U_{p}$ = 5.6$\pm$0.5 eV, while the copper on-site Coulomb correlation energy, $U_{d}$ = 6.5$\pm$0.5 eV for Bi2212. The expression for the Heisenberg exchange interaction $J$ in terms of the electronic parameters $U_{d}$, $U_{p}$, charge-transfer energy $\Delta$ and Cu-O hopping $t_{pd}$ obtained from a simple Cu$_2$O cluster model is used to carry out an optimization analysis consistent with $J$ known from scattering experiments. The analysis also provides the effective one band on-site Coulomb correlation energy $\tilde{U}$ and the effective hopping $\tilde{t}$. PLCCO and Bi2212 are shown to exhibit very similar values of $\tilde{U}$/$\tilde{t}$ $\sim$9-10, confirming the strongly correlated nature of the singlet ground state in the effective one-band model for both the materials.

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