d-d excitations in manganites probed by resonant inelastic x-ray scattering

We report a study of electronic excitations in manganites exhibiting a range of ground states, using resonant inelastic x-ray scattering (RIXS) at the Mn K edge. Excitations with temperature dependent changes correlated with the magnetism were observed as high as 10 eV. By calculating Wannier functions, and finite-q response functions, we associate this dependence with intersite d-d excitations. The calculated dynamical structure factor is found to be similar to the RIXS spectra.     

Single and double orbital excitations probed by resonant inelastic x-ray scattering

The dispersion of the elusive elementary excitations of orbital ordered systems, orbitons, has escaped detection so far. The recent advances in resonant inelastic x-ray scattering (RIXS) techniques have made it, in principle, a powerful new probe of orbiton dynamics. We compute the detailed traces that orbitons leave in RIXS for an e{g} orbital ordered system, using the ultrashort core-hole lifetime expansion for RIXS. We observe that both single- and double-orbiton excitations are allowed, where the former, at lower energy, have sharper features. The rich energy- and momentum-dependent intensity variations that we observe make clear that RIXS is an ideal method to identify and map out orbiton dispersions.     

Collapse of the magnetic gap of cuprate superconductors within a three-band model of resonant inelastic x-ray scattering

We present a three-band Hubbard Hamiltonian and the associated Cu Kappa-edge resonant inelastic x-ray scattering (RIXS) spectra for electron- and hole-doped cuprates over a wide range of energy and momentum transfers. By comparing computed spectra for the unfilled case with the corresponding results for 15% electron or hole doping at two different values of the effective Hubbard parameter , generic signatures of the collapse of the magnetic gap and the characteristic momentum dependencies and evolution of the spectra with doping are identified. Available RIXS data support the gap collapse scenario for electron-doped cuprates, but the situation in hole-doped systems is found to be less clear.     

Theory of resonant inelastic x-ray scattering by collective magnetic excitations

I present a tractable theory for the resonant inelastic x-ray scattering (RIXS) of magnons. The low-energy transition operator is written as a product of local spin operators and fundamental x-ray absorption spectral functions. This leads to simple selection rules. The scattering cross section linear (quadratic) in spin operators is proportional to the fundamental magnetic circular (linear) dichroic spectral function. RIXS is a novel tool to measure magnetic quasiparticles (magnons) and the incoherent spectral weight, as well as multiple magnons up to very high energy losses, in small samples, thin films, and multilayers, complementary to neutron scattering.     

Effects of pairing potential scattering on Fourier-transformed inelastic tunneling spectra of high-Tc cuprate superconductors with bosonic modes

Recent scanning tunneling microscopy (STM) experimentally observed strong gap inhomogeneity in Bi2Sr2CaCu2O(8+delta) (BSCCO). We argue that disorder in the pair potential underlies the gap inhomogeneity, and investigate its role in the Fourier-transformed inelastic tunneling spectra as revealed in the STM. We find that the random pair potential induces unique q-space patterns in the local density of states (LDOS) of a d-wave superconductor. We consider the effects of electron coupling to various bosonic modes and find the pattern of LDOS modulation due to coupling to the B(1g) phonon mode to be consistent with the one observed in the inelastic electron tunnneling STM experiment in BSCCO. These results suggest strong electron-lattice coupling as an essential part of the superconducting state in high-Tc materials.     

Persistence of covalent bonding in liquid silicon probed by inelastic x-ray scattering

Metallic liquid silicon at 1787 K is investigated using x-ray Compton scattering. An excellent agreement is found between the measurements and the corresponding Car-Parrinello molecular dynamics simulations. Our results show persistence of covalent bonding in liquid silicon and provide support for the occurrence of theoretically predicted liquid-liquid phase transition in supercooled liquid states. The population of covalent bond pairs in liquid silicon is estimated to be 17% via a maximally localized Wannier function analysis. Compton scattering is shown to be a sensitive probe of bonding effects in the liquid state.     

Angular dependence of resonant inelastic x-ray scattering: a spherical tensor expansion

A spherical tensor expansion is carried out to express the resonant inelastic scattering cross-section as a sum of products of fundamental spectra with tensors involving wavevectors and polarization vectors of incident and scattered photons. The expression presented in this paper differs from that of the influential article by Carra et al. (Phys. Rev. Lett. 74, 3700, 1995) because it does not omit interference terms between electric dipole and quadrupole contributions when coupling each photon to itself. Some specific cases of the spherical tensor expansion are discussed. For example the case of isotropic samples is considered and the cross-section is expressed as a combination of only three fundamental spectra for the situation where electric dipole or electric quadrupole transitions in the absorption process are followed by electric dipole transitions in the emission. This situation includes the case of untextured powder samples, which corresponds to the most frequent situation met experimentally. Finally, it is predicted that some circular dichroism may be observed on isotropic samples provided that the circular polarization of the scattered beam can be detected.     

Polarized resonant inelastic x-ray scattering as an ultrafine probe of excited States of La2CuO4

X-ray absorption is the standard method to probe the unoccupied density of states at a given edge. Here we show that polarized resonant inelastic x-ray scattering in La2CuO4 at the Cu L edge is extremely sensitive to the environment of the Cu atom and the fine structure in the Cu 4p density of states. Combined ab initio and many-body cluster calculations, used for the first time in such a context, show remarkable agreement with experiment. In particular, we identify a nonlocal effect, namely, a transition to off-site Cu 3d states.     

Low energy electronic spectroscopy of an infinite-layer cuprate: A resonant inelastic X-ray scattering study of CaCuO2

We report the results of Oxygen K-edge soft X-ray absorption and emission spectroscopy that was performed on an infinite-layer insulating cuprate thin film CaCuO₂. Experimentally obtained spectra are consistent with local density approximation calculations. X-ray absorption spectra show a close resemblance to spectra obtained from homologous single crystal cuprates. In addition to d–d excitations, X-ray emission spectra reveal the presence of Zhang-Rice singlet states in the infinite-layer CuO₂ planes. The question of whether the Zhang-Rice singlet features are masked by the O 2p main-band is addressed: it is possible to quantify the position of the Zhang-Rice singlet using emission intensity profiles. X-ray emission is demonstrated as a tool for understanding CuO₂ planar electronic correlation in the prototypical infinite-layer. The energy difference, 2.0 eV, between the oxygen main-band and the Zhang-Rice singlet band is found to match values obtained theoretically using established planar electronic correlation parameters.     

On the magnetic structure of Sr3Ir2O7: an x-ray resonant scattering study

This report presents azimuthal dependent and polarization dependent x-ray resonant magnetic scattering at the Ir L(3) edge for the bilayered iridate compound Sr(3)Ir(2)O(7). The two magnetic wave vectors, k1 = (1/2, 1/2, 0) and k2 = (1/2, -1/2, 0), result in domains of two symmetry-related G-type antiferromagnetic structures, denoted A and B, respectively. These domains are approximately 0.02 mm(2) and are independent of the thermal history. An understanding of this key aspect of the magnetism is necessary for an overall picture of the magnetic behaviour in this compound. The azimuthal and polarization dependence of the magnetic reflections, relating to both magnetic wavevectors, show that the Ir magnetic moments in the bilayer compound are oriented along the c axis. This contrasts with single layer Sr(2)IrO(4) where the moments are confined to the ab plane.     

Phonon spectra of La-containing Bi2Sr2CaCu2O8-based solid solutions measured by inelastic neutron scattering

Phonon spectra of Bi₂Sr_2?y Ca_1?x La _{x + y} Cu₂O_{8 + δ} solid solutions (x=y=0; x=0, y=0.25; x=0.25, y=0; x=0, y=0.5) were measured by inelastic neutron scattering on a DIN-2PI direct-geometry spectrometer. A full-profile analysis of the x-ray diffraction data yielded an estimate of the distribution of alkaline-earth (AE) and La atoms over the Ca and Sr positions in the Bi₂Sr₂CaCu₂O₈ structure. An assignment of the main features in the phonon spectrum to dominant vibrations of certain atoms was made. In particular, the correlation of the x-ray structural data with spectroscopic data implies that the feature due to cation vibrations in the Sr crystallographic positions of the basic 2212 structure (near 11 meV) is single-mode in behavior. Substitution of La for an AE atom modifies the high-frequency part (>40 meV) of the phonon spectrum (which corresponds to vibrations of oxygen in the SrO and CuO₂ layers of the Bi₂Sr₂CaCu₂O₈ structure) and affects the cut-off frequencies in the spectra of solid solutions of various compositions. A comparison of the results obtained in this study with earlier spectra of the 2212 compound, in which Ca was substituted for by Nd, indicates that the shape and intensity of the high-frequency vibration spectra of the samples studied are related to the average cation charge in the SrO layer of the Bi₂Sr₂CaCu₂O₈ structure.     

在9 T磁场中合成Sr2IrO4样品的物理性质研究

我们在9T的磁场下成功合成了Sr2IrO4 样品,并且研究了它的结构和磁性。尽管样品的晶体结构与在零场下合成的样品相比没有改变,高分辨透射电镜像显示出电子云的分布发生了变化。在暗区,态密度增强引起了样品的磁性发生改变。我们提出9T的强磁场有利于生长出更纯相的样品。     

Observation of a new excitation in bcc 4He by inelastic neutron scattering

We report neutron-scattering measurements of the phonons in bcc solid 4He. In general, only three acoustic phonon branches should exist in a monatomic cubic crystal. In addition to these phonon branches, we found a new "opticlike" mode along the [110] direction. One possible interpretation of this new mode is in terms of localized excitations unique to a quantum solid.     

Momentum dependence of charge excitations in the electron-doped superconductor Nd1.85 Ce0.15 CuO4: a resonant inelastic x-ray scattering study

We report a resonant inelastic x-ray scattering (RIXS) study of charge excitations in the electron-doped high-T(c) superconductor Nd1.85 Ce0.15 CuO4. The intraband and interband excitations across the Fermi energy are separated for the first time by tuning the experimental conditions properly to measure charge excitations at low energy. A dispersion relation with q-dependent width emerges clearly in the intraband excitation, while the intensity of the interband excitation is concentrated around 2 eV near the zone center. The experimental results are consistent with theoretical calculation of the RIXS spectra based on the Hubbard model.     

Magnetic and quasiparticle excitation spectra of an itinerant J1-J2 model for iron-pnictide superconductors

We calculate the magnetic and quasiparticle excitation spectra of an itinerant J(1)-J(2) model for iron-pnictide superconductors. In addition to an acoustic spin-wave branch, the magnetic spectrum has a second, optical branch, resulting from the coupled four-sublattice magnetic structure. The spin-wave velocity has also a planar directional anisotropy, due to the collinear or striped antiferromagnetism. Within the magnetically ordered phase, the quasiparticle spectrum is composed of two Dirac cones, resulting from the folding of the magnetic Brillouin zone. We discuss the relevance of our findings to the understanding of both neutron scattering and photoemission spectroscopy results for SrFe(2)As(2).     

Temperature dependence of the electronic structure of Sr14Cu24O41 studied by resonant inelastic X-ray scattering

We report a resonant inelastic X-ray scattering (RIXS) study of charge excitations in the two-leg ladder Sr₁₄Cu₂₄O₄₁. RIXS spectra at 1–5 eV are found to be dependent on temperature. An intraband excitation of the ladder, which appears as a continuum intensity below the Mott gap, decreases in intensity with temperature. Because the intraband excitation is related to the dynamics of doped holes in the ladder, its decrease of the intraband excitation is attributed to the reduction of the mobile holes in the ladder at low temperature.     

Vibrational excitation of molecules by resonant electron scattering: Theory and application to benzene

A formalism to describe the vibrational excitation of molecules via resonances is presented. For the limiting cases of short and long lifetime of the negative ion the excitation probability can be calculated using a golden rule expression and a simple Hamiltonian. The intensity distribution of the electron energy loss spectrum is expressed in terms of electron-vibration coupling constants which depend on the lifetime of the negative ion. Spectra for resonant scattering on benzene-d₆ are calculated and good agreement with experiment is obtained.