Exciton doublet in the Mott-Hubbard LiCuVO4_4 insulator identified by spectral ellipsometry

Spectroscopic ellipsometry was used to study the dielectric function of LiCuVO$_{4}$, a compound comprised of chains of edge-sharing CuO$_4$ plaquettes, in the spectral range (0.75 - 6.5) eV at temperatures (7-300) K. For photon polarization along the chains, the data reveal a weak but well-resolved two-peak structure centered at 2.15 and 2.95 eV whose spectral weight is strongly enhanced upon cooling near the magnetic ordering temperature. We identify these features as an exciton doublet in the Mott-Hubbard gap that emerges as a consequence of the Coulomb interaction between electrons on nearest and next-nearest neighbor sites along the chains. Our results and methodology can be used to address the role of the long-range Coulomb repulsion for compounds with doped copper-oxide chains and planes.Comment: 4 pages with 4 figures and EPAPS supplementary online material (3 pages with 4 figures), accepted in Phys. Rev. Let

Anisotropic optical response of the mixed-valent Mott-Hubbard insulator NaCu2O2

We report the results of a comprehensive spectroscopic ellipsometry study of NaCu2O2, a compound composed of chains of edge-sharing Cu2+O4 plaquettes and planes of Cu1+ ions in a O-Cu1+-O dumbbell configuration, in the spectral range 0.75-6.5 eV at temperatures 7 -300 K. The spectra of the dielectric function for light polarized parallel to the Cu1+ planes reveal a strong in-plane anisotropy of the interband excitations. Strong and sharp absorption bands peaked at 3.45 eV (3.7 eV) dominate the spectra for polarization along (perpendicular) to the Cu2+O2 chains. They are superimposed on flat and featureless plateaux above the absorption edges at 2.25 eV (2.5 eV). Based on density-functional calculations, the anomalous absorption peaks can be assigned to transitions between bands formed by Cu1+ 3dxz(dyz) and Cu2+ 3dxy orbitals, strongly hybridized with O pstates. The major contribution to the background response comes from transitions between Cu1+ 3dz2 and 4px(py) bands. This assignment accounts for the measured in-plane anisotropy. The dielectric response along the Cu2+O2 chains develops a weak two-peak structure centered at 2.1 and 2.65 eV upon cooling below 100 K, along with the appearance of spin correlations along the Cu2+O2 chains. These features bear a striking resemblance to those observed in the single-valent Cu2+O2 chain compound LiCuVO4, which were identified as an exciton doublet associated with transitions to the upper Hubbard band that emerges as a consequence of the long-range Coulomb interaction between electrons on neighboring Cu2+ sites along the chains. An analysis of the spectral weights of these features yields the parameters characterizing the on-site and long-range Coulomb interactions.Comment: 12 pages, 12 figure

spl(2,1) dynamical supersymmetry and suppression of ferromagnetism in flat band double-exchange models

The low energy spectrum of the ferromagnetic Kondo lattice model on a N-site complete graph extended with on-site repulsion is obtained from the underlying spl(2,1) algebra properties in the strong coupling limit. The ferromagnetic ground state is realized for 1 and N+1 electrons only. We identify the large density of states to be responsible for the suppression of the ferromagnetic state and argue that a similar situation is encountered in the Kagome, pyrochlore, and other lattices with flat bands in their one-particle density of states.Comment: 7 pages, 1 figur

Spin-Orbital Entanglement and Violation of the Goodenough-Kanamori Rules

We point out that large composite spin-orbital fluctuations in Mott insulators with $t_{2g}$ orbital degeneracy are a manifestation of quantum entanglement of spin and orbital variables. This results in a dynamical nature of the spin superexchange interactions, which fluctuate over positive and negative values, and leads to an apparent violation of the Goodenough-Kanamori rules. [{\it Published in Phys. Rev. Lett. {\bf 96}, 147205 (2006).}]Comment: 4 pages, 2 figure

Helicoidal magnetic order in a clean copper oxide spin chain compound

We report susceptibility, specific heat, and neutron diffraction measurements on NaCu$_2$O$_2$, a spin-1/2 chain compound isostructural to LiCu$_2$O$_2$, which has been extensively investigated. Below 13 K, we find a long-range ordered, incommensurate magnetic helix state with a propagation vector similar to that of LiCu$_2$O$_2$. In contrast to the Li analogue, substitutional disorder is negligible in NaCu$_2$O$_2$. We can thus rule out that the helix is induced by impurities, as was claimed on the basis of prior work on LiCu$_2$O$_2$. A spin Hamiltonian with frustrated longer-range exchange interactions provides a good description of both the ordered state and the paramagnetic susceptibility.Comment: 4 pages, 4 figures Improved Fig.1 and 4. Minor rephrasing. Reference adde

Cu KK-edge Resonant Inelastic X-Ray Scattering in Edge-Sharing Cuprates

We present calculations for resonant inelastic x-ray scattering (RIXS) in edge-shared copper oxide systems, such as CuGeO$_{3}$ and Li$_{2}$CuO$_{2}$, appropriate for hard x-ray scattering where the photoexcited electron lies above oxygen 2p and copper 3d orbital energies. We perform exact diagonalizations of the multi-band Hubbard and determine the energies, orbital character and resonance profiles of excitations which can be probed via RIXS. We find excellent agreement with recent results on Li$_{2}$CuO$_{2}$ and CuGeO$_{3}$ in the 2-7 eV photon energy loss range.Comment: Updated with new data, expanded 9 pages, 9 figure

Magnetic neutron scattering study of YVO3: Evidence for an orbital Peierls state

Neutron spectroscopy has revealed a highly unusual magnetic structure and dynamics in YVO$_3$, an insulating pseudocubic perovskite that undergoes a series of temperature induced phase transitions between states with different spin and orbital ordering patterns. A good description of the neutron data is obtained by a theoretical analysis of the spin and orbital correlations of a realistic one-dimensional model. This leads to the tentative identification of one of the phases of YVO$_3$ with the ``orbital Peierls state'', a theoretically proposed many-body state comprised of orbital singlet bonds.Comment: final version, to appear in PR

Optical conductivity in doped manganites with planar x2^2-y2^2 orbital order

We investigate a planar model for the ferromagnetic (FM) phase of manganites, which develops orbital order of $e_g$ electrons with x$^2$-y$^2$-symmetry at low temperature. The dynamic structure factor of orbital excitations and the optical conductivity $\sigma(\omega)$ are studied with help of a finite-temperature diagonalization method. Our calculations provide a theoretical prediction for $\sigma(\omega)$ for the 2D FM state and are of possible relevance for the recently found A-type phase of manganites at high doping which consists of FM layers coupled antiferromagnetically. In the x$^2$-y$^2$ ordered regime $\sigma(\omega)$ shows both a Drude peak and a gapped incoherent absorption due to a gap in the orbital excitations.Comment: 5 pages, 5 figures, to appear in Phys. Rev. Let

Informing about childbirth without increasing anxiety: a qualitative study of first-time pregnant women and partners' perceptions and needs.

Complications requiring medical interventions during childbirth are far from rare, even after uncomplicated pregnancies. It is often a challenge for maternity healthcare professionals to know how to prepare future parents for these eventualities without causing unnecessary anxiety. Studies on traumatic birth experiences have shown that feelings of loss of control, insufficient information, and lack of participation in medical decisions during childbirth are factors of difficult experiences. However, little is known about the information and communication needs of expectant parents about childbirth during the prenatal period. To gain a deeper understanding of the information and communication needs of first-time pregnant women and partners, we explored their perceptions and expectations for their upcoming childbirth, and the actions they initiated to prepare for it. Semi-structured interviews were conducted individually with first-time pregnant women and partners of pregnant women aged 18 years or older, with an uncomplicated pregnancy. Thematic analysis was used to identify themes and sub-themes. Twenty expectant parents (15 pregnant women and five partners of pregnant women) were interviewed. Six themes were identified: Childbirth event; Childbirth experience; Childbirth environment; Organisation of care; Participation in decision making; Roles within the couple and transition to parenthood. This study contributes to a better understanding of the information needs of future parents expecting their first child. Results highlighted that the notion of "childbirth risks" went beyond the prospect of complications during birth, but also encompassed concerns related to a feeling of loss of control over the event. Expectant parents showed an ambivalent attitude towards consulting risk information, believing it important to prepare for the unpredictability of childbirth, while avoiding information they considered too worrying. They expressed a desire to receive concrete, practical information, and needed to familiarise themselves in advance with the birth environment. Establishing a respectful relationship with the healthcare teams was also considered important. The findings suggest that information on childbirth should not be limited to the transmission of knowledge, but should primarily be based on the establishment of a relationship of trust with healthcare professionals, taking into account each person's individual values and expectations