On charge and orbital ordering in La0.5Sr1.5MnO4

Abstract

Using first principle band structure calculations, we critically examine results of resonant x-ray scattering experiments which is believed to directly probe charge and orbital ordering. Considering the specific case of La0.5Sr1.5MnO4, we show that this technique actually probes most directly and sensitively small structural distortions in the system. Such distortions, often difficult to detect with more conventional techniques, invariably accompany and usually cause the orbital and charge orderings. In this sense, this technique is only an indirect probe of such types of ordering. Our results also provide a microscopic explanation of the novel types of charge and orbital ordering realized in this system and other doped manganites.

Includes 2 figures; Presented at the 4th Asian Workshop on Electronic Structure Calculations, Taiwan; More detailed paper published in Phys. Rev. Lett. {\bf 87}, 066404 (2001)

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