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• W3122985666 abstract "We study theoretically resonant inelastic x-ray scattering (RIXS) at the Cu L3-edge in a typical parent compound of high-Tc cuprate superconductors La2CuO4 on the basis of a detailed electronic band structure. We construct a realistic and precise tight-binding model by employing the maximally-localized Wannier functions derived from a first-principles electronic structure calculation, and then take account of the Coulomb repulsion between d electrons at each Cu site. The antiferromagnetic ground state is described within the Hartree–Fock approximation, and take account of electron correlations in the intermediate states of RIXS within the random-phase approximation (RPA). Calculated RIXS spectra agree well with the experimentally observed features including low-energy magnon excitation, d–d excitations, and charge-transfer excitations, over a wide excitation-energy range. In particular, we stress the importance of photon polarization dependence: the intensity of magnon excitation and the spectral structure of d–d excitations depend significantly not only on the polarization direction of incident incoming photons but also that of outgoing photons. It is demonstrated that the single-magnon excitation intensity is maximized when the polarization directions of incoming and outgoing photons are perpendicular to each other." @default.
• W3122985666 created "2021-02-01" @default.
• W3122985666 creator A5047974429 @default.
• W3122985666 date "2015-09-15" @default.
• W3122985666 modified "2023-09-27" @default.
• W3122985666 title "Theoretical Study of <i>L</i>-Edge Resonant Inelastic X-ray Scattering in La₂CuO₄ on the Basis of Detailed Electronic Band Structure" @default.
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• W3122985666 doi "https://doi.org/10.7566/jpsj.84.094704" @default.
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