The implications of resonant x-ray scattering data on the physics of the insulating phase of V_2O_3

Details The implications of resonant x-ray scattering data on the physics of the insulating phase of V_2O_3 The implications of resonant x-ray scattering data on the physics of the insulating phase of V_2O_3

2005-06-17

arxiv.org/abs/cond-mat/0506430v1

Phys. Rev. B 69, 224401 (2004)

Physics

Condensed Matter

Strongly Correlated Electrons

11 pages, 6 figures

Scientific paper

10.1103/PhysRevB.69.224401

We have performed a quantitative analysis of recent resonant x-ray scattering experiments carried out in the antiferromagnetic phase of V_2O_3 by means of numerical ab-initio simulations. In order to treat magnetic effects, we have developed a method based on multiple scattering theory (MST) and a relativistic extension of the Schr\"{o}dinger Equation, thereby working with the usual non relativistic set of quantum numbers $l,m,\sigma$ for angular and spin momenta. Electric dipole-dipole (E1-E1), dipole-quadrupole (E1-E2) and quadrupole-quadrupole (E2-E2) transition were considered altogether. We obtain satisfactory agreement with experiments, both in energy and azimuthal scans. All the main features of the V K edge Bragg-forbidden reflections with $h+k+l=$odd can be interpreted in terms of the antiferromagnetic ordering only, {\it ie}, they are of magnetic origin. In particular the ab-initio simulation of the energy scan around the (1,1,1)-monoclinic reflection excludes the possibility of any symmetry reduction due to a time-reversal breaking induced by orbital ordering.

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