Resonant x-ray scattering from the4pquadrupole moment inYVO3

Abstract

We show that resonant scattering signals at the Bragg forbidden positions in YVO 3 originate from the anisotropic nature of the atomic scattering factor. The E1-E1 scattering from the electric-quadrupole moment is explained entirely through the crystal structure and does not require sensitivity to 3d orbital order. Simulations of the resonance using the FDMNES code suggest that the Jahn-Teller distortion provides an insignificant contribution to the intensity of the forbidden reflection. Thus we show that resonant x-ray diffraction at the vanadium K-edge in YVO 3 is largely insensitive, even indirectly, to 3d orbital order through Jahn-Teller distortions.

Ultrafast optical spectroscopy of the lowest energy excitations in the Mott insulator compound YVO3: Evidence for Hubbard-type excitons

“…V 3+ ions have a 3d 2 electronic configuration 27 so that two electrons occupy the t 2g orbitals. At 200 K a phase transition to a monoclinic phase (P b11 28 or P 2 1 /c 24,29,30 ) occurs with G-type orbital order (G-OO). In this state, d yz or d zx orbitals are alternately occupied both in the ab plane and along the c axis [ Fig.…”

Unraveling Orbital Correlations with Magnetic Resonant Inelastic X-Ray Scattering

“…Traditional x-ray diffraction, instead, is dominated by scattering from the atomic core electrons while the resonant x-ray diffraction [13,14], particularly in the soft x-ray regime, the modern method of choice to detect orbital ordering, suffers from a very limited scattering phase space making Bragg scattering only possible for special orbital superstructures that have large spatial periodicities [15]. There being few orbital-ordering related Bragg spots -if at all -leaves considerable room for controversies on the interpretation of experimental data [16][17][18].…”

X-ray diffraction study of the temperature-induced structural phase transitions in SmVO3

“…27 Furthermore, in YVO 3 , theoretical predictions showed that the observed resonant diffraction signals 26,28 could be accounted for by the distortions of the crystal structure local to the vanadium sites (i.e., ATS scattering) without the need to invoke any 3d orbital order. 28,29 Figures 7(a) and 7(b) show the RXD spectra of the (011) and (010) Bragg-forbidden reflections, respectively. Any differences observed between the RXD spectra measured at different temperatures reflect changes in the electronic environment of the vanadium ions.…”

“…In orbitally ordered LaMnO 3 , the Mn K -edge diffraction signal due to the Coulomb interaction was shown (via ab-initio calculations) to be 100 times weaker than that originating in the 4p anisotropy induced by the distorted oxygen octahedra that surround the manganese ions 27 . Furthermore, in YVO 3 , theoretical predictions showed that the observed resonant diffraction signals 26,28 could be accounted for by the distortions of the crystal structure local to the vanadium sites, i.e. ATS scattering, without the need to invoke any 3d orbital order 28,29 .…”

“…Furthermore, in YVO 3 , theoretical predictions showed that the observed resonant diffraction signals 26,28 could be accounted for by the distortions of the crystal structure local to the vanadium sites, i.e. ATS scattering, without the need to invoke any 3d orbital order 28,29 .…”