ترغب بنشر مسار تعليمي؟ اضغط هنا

Comparison of Resonant Inelastic X-Ray Scattering Spectra and Dielectric Loss Functions in Copper Oxides

576   0   0.0 ( 0 )
 نشر من قبل Young-June Kim
 تاريخ النشر 2008
  مجال البحث فيزياء
والبحث باللغة English




اسأل ChatGPT حول البحث

We report empirical comparisons of Cu K-edge indirect resonant inelastic x-ray scattering (RIXS) spectra, taken at the Brillouin zone center, with optical dielectric loss functions measured in a number of copper oxides. The RIXS data are obtained for Bi$_2$CuO$_4$, CuGeO$_3$, Sr$_2$Cu$_3$O$_4$Cl$_2$, La$_2$CuO$_4$, and Sr$_2$CuO$_2$Cl$_2$, and analyzed by considering both incident and scattered photon resonances. An incident-energy-independent response function is then extracted. The dielectric loss functions, measured with spectroscopic ellipsometry, agree well with this RIXS response, especially in Bi$_2$CuO$_4$ and CuGeO$_3$.



قيم البحث

اقرأ أيضاً

We demonstrate the utility of point group representation theory for symmetry analysis in resonant inelastic x-ray scattering. From its polarization-dependence, we show that a 5 eV inelastic feature in Sr2CuO2Cl2 has pure B1g symmetry and assign it to a transition in the cell-perturbation calculations of Simon, et. al. [Phys. Rev. B., 54, R3780 (1996)]. We discuss how Raman selection rules are broken at nonzero momentum transfer and how this can also act as a probe of wave function symmetry.
We analyze the resonant inelastic x-ray scattering (RIXS) spectra at the K edge of Mn in the antiferromagnetic insulating manganite LaMnO3. We make use of the Keldysh-type Green-function formalism, in which the RIXS intensity is described by a produc t of an incident-photon-dependent factor and a density-density correlation function in the 3d states. We calculate the former factor using the 4p density of states given by an ab initio band structure calculation and the latter using a multi-orbital tight-binding model. The ground state of the model Hamiltonian is evaluated within the Hartree-Fock approximation. Correlation effects are treated within the random phase approximation (RPA). We obtain the RIXS intensity in a wide range of energy-loss 2-15 eV. The spectral shape is strongly modified by the RPA correlation, showing good agreement with the experiments. The incident-photon-energy dependence also agrees well with the experiments. The present mechanism that the RIXS spectra arise from band-to-band transitions to screen the core-hole potential is quite different from the orbiton picture previously proposed, enabling a comprehensive understanding of the RIXS spectra.
The ladder compound Sr$_{14}$Cu$_{24}$O$_{41}$ is of interest both as a quasi-one-dimensional analog of the superconducting cuprates and as a superconductor in its own right when Sr is substituted by Ca. In order to model resonant inelastic x-ray sca ttering (RIXS) spectra for this compound, we investigate the simpler SrCu$_{2}$O$_{3}$ system in which the crystal structure contains very similar ladder planes. We approximate the LDA dispersion of SrCu$_{2}$O$_{3}$ by a Cu only two-band tight-binding model. Strong correlation effects are incorporated by assuming an anti-ferromagnetic ground state. The available angle-resolved photoemission (ARPES) and RIXS data on the ladder compound are found to be in reasonable accord with our theoretical predictions.
To fully capitalize on the potential and versatility of resonant inelastic x-ray scattering (RIXS), it is essential to develop the capability to interpret different RIXS contributions through calculations, including the dependence on momentum transfe r, from first-principles for correlated materials. Toward that objective, we present new methodology for calculating the full RIXS response of a correlated metal in an unbiased fashion. Through comparison of measurements and calculations that tune the incident photon energy over a wide portion of the Fe L$_3$ absorption resonance of the example material BaFe$_2$As$_2$, we show that the RIXS response in BaFe$_2$As$_2$ is dominated by the direct channel contribution, including the Raman-like response below threshold, which we explain as a consequence of the finite core-hole lifetime broadening. Calculations are initially performed within the first-principles Bethe-Salpeter framework, which we then significantly improve by convolution with an effective spectral function for the intermediate-state excitation. We construct this spectral function, also from first-principles, by employing the cumulant expansion of the Greens function and performing a real-time time dependent density functional theory calculation of the response of the electronic system to the perturbation of the intermediate-state excitation. Importantly, this allows us to evaluate the indirect RIXS response from first-principles, accounting for the full periodicity of the crystal structure and with dependence on the momentum transfer.
87 - A. Nocera , U. Kumar , N. Kaushal 2018
We present a method for computing resonant inelastic x-ray scattering (RIXS) spectra in one-dimensional systems using the density matrix renormalization group (DMRG) method. By using DMRG to address the problem, we shift the computational bottleneck from the memory requirements associated with exact diagonalization (ED) calculations to the computational time associated with the DMRG algorithm. This approach is then used to obtain RIXS spectra on cluster sizes well beyond state-of-the-art ED techniques. Using this new procedure, we compute the low-energy magnetic excitations observed in Cu $L$-edge RIXS for the challenging corner shared CuO$_4$ chains, both for large multi-orbital clusters and downfolded $t$-$J$ chains. We are able to directly compare results obtained from both models defined in clusters with identical momentum resolution. In the strong coupling limit, we find that the downfolded $t$-$J$ model captures the features of the magnetic excitations probed by RIXS after a uniform scaling of the spectra is taken into account.
التعليقات
جاري جلب التعليقات جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
mircosoft-partner

هل ترغب بارسال اشعارات عن اخر التحديثات في شمرا-اكاديميا