Two-magnon excitations in resonant inelastic x-ray scattering studied by spin-density-wave formalism

We study two-magnon excitations in resonant inelastic x-ray scattering (RIXS) at the transition-metal $K$-edge. Instead of working with effective Heisenberg spin models, we work with a Hubbard-type model ($d$-$p$ model) for a typical insulating cuprate La$_2$CuO$_4$. For the antiferromagnetic ground state within the spin-density-wave (SDW) mean-field formalism, we calculate the dynamical correlation function within the random-phase approximation (RPA), and then obtain two-magnon excitation spectra by calculating the convolution of it. Coupling between the $K$-shell hole and the magnons in the intermediate state is calculated by means of diagrammatic perturbation expansion in the Coulomb interaction. Calculated momentum dependence of RIXS spectra agrees well with that of experiments. A notable difference from previous calculations based on the Heisenberg spin models is that RIXS spectra have a large two-magnon weight near the zone center, which may be confirmed by further careful high-resolution experiments.Comment: 16 pages, 7 figures. Accepted to Phys. Rev.

Analysis of resonant inelastic x-ray scattering in La2CuO4

We provide a semiquantitative explanation of a recent experiment on the resonant inelastic x-ray scattering (RIXS) in insulating cuprate La2CuO4 (Y.J. Kim et al., Phys. Rev. Lett. 89, 177003 (2002).). We show theoretically that there are three characteristic peaks in RIXS spectra, two of which are attributed to the charge transfer excitation and are reasonably assigned to those observed experimentally. The lowest energy peak has a relatively large dispersion ($\sim 0.8$ eV) and is suppressed near the zone corner (\pi, \pi), in agreement with the experiment. We stress that electron correlation is an essential factor for explaining the overall energy-momentum dependence of the RIXS spectra consistently.Comment: 5 pages, 5 figures, to be published in Phys. Rev.

Theory of resonant inelastic x-ray scattering at the K edge in La2_2CuO4_4 - Multiple scattering effects -

We develop a theory of resonant inelastic x-ray scattering (RIXS) at the $K$ edge in La$_2$CuO$_4$ on the basis of the Keldysh Green's function formalism. In our previous analysis (Phys. Rev. B 71, 035110 (2005)), the scattering by the core-hole potential was treated within the Born approximation, and a crude-model density of states was used for the $4p$ band. We improve the analysis by taking account of the multiple scattering in Cu3d-O$2p$ bands and by using a realistic $4p$ DOS obtained from a band calculation. The multiple scattering effect is evaluated with the use of the time representation developed by Nozi\`eres and De Dominicis. It is found that the multiple scattering effect makes the $K$-edge peak in the absorption coefficient shift to the lower energy region as a function of photon energy, that is, the photon energy required to excite the $1s$ electron to the $K$-edge peak reduces. It is also found that the multiple-scattering effect does not change the two-peak structure in the RIXS spectra but modifies slightly the shape as a function of energy loss. These findings suggests that the multiple scattering effect could mainly be included into a renormalization of the core-level energy and partly justify the Born approximation, leading to a future application to the RIXS in three-dimensional systems.Comment: revised version with extended discussion, 24 pages, 12 figures, accepted for PR

Analysis of resonant inelastic x-ray scattering at the KK edge in NiO

We analyze the resonant inelastic x-ray scattering (RIXS) spectra at the Ni $K$ edge in an antiferromagnetic insulator NiO by applying the theory developed by the present authors. It is based on the Keldysh Green's function formalism, and treats the core-hole potential in the intermediate state within the Born approximation. We calculate the single-particle energy bands within the Hartree-Fock approximation on the basis of the multi-orbital tight-binding model. Using these energy bands together with the $4p$ density of states from an ab initio band structure calculation, we calculate the RIXS intensities as a function of energy loss. By taking account of electron correlation within the random phase approximation (RPA), we obtain quantitative agreement with the experimental RIXS spectra, which consist of prominent two peaks around 5 eV and 8 eV, and the former shows considerable dispersion while the latter shows no dispersion. We interpret the peaks as a result of a band-to-band transition augmented by the RPA correlation.Comment: 11 pages, 10 figures, submitted to PR

Sr2RuO4 ニ オケル スピン サンジュウコウ チョウデンドウ ノ リロン

京都大学0048新制・課程博士博士(理学)甲第9920号理博第2581号新制||理||1321(附属図書館)UT51-2003-H341京都大学大学院理学研究科物理学・宇宙物理学専攻(主査)教授 山田 耕作, 教授 大見 哲巨, 教授 藪崎 努学位規則第4条第1項該当Doctor of ScienceKyoto UniversityDA