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Register a new userMobile orbitons in Ca$_2$CuO$_3$: crucial role of the Hunds exchange
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Added by
Giacomo Ghiringhelli
Publication date
2020
fields
Physics
and research's language is
English
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We investigate the Cu $L_3$ edge resonant inelastic x-ray scattering (RIXS) spectra of a quasi-1D antiferromagnet Ca$_2$CuO$_3$. In addition to the magnetic excitations, which are well-described by the two-spinon continuum, we observe two dispersive orbital excitations, the $3d_{xy}$ and the $3d_{yz}$ orbitons. We carry out a quantitative comparison of the RIXS spectra, obtained with two distinct incident polarizations, with a theoretical model. We show that any realistic spin-orbital model needs to include a finite, but realistic, Hunds exchange $J_H approx 0.5$ eV. Its main effect is an increase in orbiton velocities, so that their theoretically calculated values match those observed experimentally. Even though Hunds exchange also mediates some interaction between spinon and orbiton, the picture of spin-orbit separation remains intact and describes orbiton motion in this compound.
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The enigmatic cuprate superconductors have attracted resurgent interest with several recent reports and discussions of competing orders in the underdoped side. Motivated by this, here we address the natural question of fragility of the d-wave superconducting state in underdoped cuprates. Using a combination of theoretical approaches we study t-J like models, and discover an - as yet unexplored - instability that is brought about by an internal (anti-symmetric mode) fluctuation of the d-wave state. This new theoretical result is in good agreement with recent STM and ARPES studies of cuprates. We also suggest experimental directions to uncover this physics.
We present a comprehensive study of the phonon dispersion in an underdoped, superconducting Ca$_{2-x}$CuO$_2$Cl$_2$ crystal. We interpret the results using lattice dynamical calculations based on a shell model, and we compare the results, to other hole-doped cuprates, in particular to the ones isomorphic to La$_{2-x}$Sr$_x$CuO$_4$ (LSCO). We found that an anomalous dip in the Cu-O bond stretching dispersion develops in oxychlorides with a simultaneous marked broadening of the mode. The broadening is maximum at $approx (pi / (2a) ~ 0 ~ 0)$ that corresponds to the charge-modulations propagation vector. Our analysis also suggests that screening effects in calculations may cause an apparent cosine-shaped bending of the Cu-O bond-stretching dispersion along both the ($q$ 0 0) and ($q$ $q$ 0) directions, that is not observed on the data close to optimal doping. This observation suggests that the discrepancy between experimental data and textit{ab-initio} calculations on this mode originates from an overestimation of the doping effects on the mode.
By means of resonant inelastic x-ray scattering at the Cu L$_3$ edge, we measured the spin wave dispersion along $langle$100$rangle$ and $langle$110$rangle$ in the undoped cuprate Ca$_2$CuO$_2$Cl$_2$. The data yields a reliable estimate of the superexchange parameter $J$ = 135 $pm$ 4 meV using a classical spin-1/2 2D Heisenberg model with nearest-neighbor interactions and including quantum fluctuations. Including further exchange interactions increases the estimate to $J$ = 141 meV. The 40 meV dispersion between the magnetic Brillouin zone boundary points (1/2,,0) and (1/4,,1/4) indicates that next-nearest neighbor interactions in this compound are intermediate between the values found in La$_{2}$CuO$_4$ and Sr$_2$CuO$_2$Cl$_2$. Owing to the low-$Z$ elements composing Ca$_2$CuO$_2$Cl$_2$, the present results may enable a reliable comparison with the predictions of quantum many-body calculations, which would improve our understanding of the role of magnetic excitations and of electronic correlations in cuprates.
The heat carriers responsible for the unexpectedly large thermal Hall conductivity of the cuprate Mott insulator La$_2$CuO$_4$ were recently shown to be phonons. However, the mechanism by which phonons in cuprates acquire chirality in a magnetic field is still unknown. Here, we report a similar thermal Hall conductivity in two cuprate Mott insulators with significantly different crystal structures and magnetic orders - Nd$_2$CuO$_4$ and Sr$_2$CuO$_2$Cl$_2$ - and show that two potential mechanisms can be excluded - the scattering of phonons by rare-earth impurities and by structural domains. Our comparative study further reveals that orthorhombicity, apical oxygens, the tilting of oxygen octahedra and the canting of spins out of the CuO$_2$ planes are not essential to the mechanism of chirality. Our findings point to a chiral mechanism coming from a coupling of acoustic phonons to the intrinsic excitations of the CuO$_2$ planes.
A paradigmatic case of multi-band Mott physics including spin-orbit and Hunds coupling is realised in Ca$_2$RuO$_4$. Progress in understanding the nature of this Mott insulating phase has been impeded by the lack of knowledge about the low-energy electronic structure. Here we provide -- using angle-resolved photoemission electron spectroscopy -- the band structure of the paramagnetic insulating phase of Ca$_2$RuO$_4$ and show how it features several distinct energy scales. Comparison to a simple analysis of atomic multiplets provides a quantitative estimate of the Hunds coupling $J=0.4$ eV. Furthermore, the experimental spectra are in good agreement with electronic structure calculations performed with Dynamical Mean-Field Theory. The crystal field stabilisation of the d$_{xy}$ orbital due to $c$-axis contraction is shown to be important in explaining the nature of the insulating state. It is thus a combination of multiband physics, Coulomb interaction and Hunds coupling that generates the Mott insulating state of Ca$_2$RuO$_4$. These results underscore the importance of Hunds coupling in the ruthenates and related multiband materials.
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