Orbital Ordering, Jahn-Teller Distortion, and Anomalous X-Ray Scattering in Manganates
Orbital Ordering, Jahn-Teller Distortion, and Anomalous X-Ray Scattering in Manganates
We demonstrate with LSDA $+U$ calculations that x-ray scattering at the $K$ edge of Mn is sensitive to orbital ordering in one energy range and Jahn-Teller distortion in another. Contrary to what is suggested by atomic or cluster models used to date we show that band structure effects rather than …