Oxygen on-site Coulomb energy in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Pr</mml:mi><mml:mrow><mml:mn>1.3</mml:mn><mml:mo>−</mml:mo><mml:mi>x</mml:mi></mml:mrow></mml:msub><mml:msub><mml:mi>La</mml:mi><mml:mrow><mml:mn>0.7</mml:mn></mml:mrow></mml:msub><mml:msub><mml:mi>Ce</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:msub><mml:mi>CuO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:mrow></mml:math> and <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:msub><mml:mi>Bi</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>Sr</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi>CaCu</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant="normal">O</mml:mi><mml:mrow><mml:mn>8</mml:mn><mml:mo>+</mml:mo><mml:mi>δ</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math> and its relation with Heisenberg exchange - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Physical Review B Année : 2023

Oxygen on-site Coulomb energy in Pr1.3xLa0.7CexCuO4 and Bi2Sr2CaCu2O8+δ and its relation with Heisenberg exchange

Daniel Malterre
K Sheshadri
Takashi Mizokawa
Munetaka Taguchi
Tadashi Adachi
Kazuto Hirata
Maw-Kuen Wu

Résumé

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+δ (Bi2212; T c = 90 K) cuprate superconductors using x-ray absorption spectroscopy and resonant photoemission spectroscopy (Res-PES). From Res-PES across the O K-edge and Cu Ledge , 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 ± 0.5 eV, and for Bi2212, U p = 5.6 ± 0.5 eV, while the copper on-site Coulomb correlation energy is U d = 6.5 ± 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 , 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 Ũ and the effective hopping t. PLCCO and Bi2212 are shown to exhibit very similar values of Ũ /t ∼ 9-10, confirming the strongly correlated nature of the singlet ground state in the effective one-band model for both materials.
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hal-04141598 , version 1 (26-06-2023)

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Ashish Chainani, Masafumi Horio, Cheng-Maw Cheng, Daniel Malterre, K Sheshadri, et al.. Oxygen on-site Coulomb energy in Pr1.3xLa0.7CexCuO4 and Bi2Sr2CaCu2O8+δ and its relation with Heisenberg exchange. Physical Review B, 2023, 107 (9), pp.195152. ⟨10.1103/physrevb.107.195152⟩. ⟨hal-04141598⟩
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