Mahadevan, Priya and Terakura, K and Sarma, DD (2001) Spin, charge, and orbital ordering in La0.5Sr1.5MnO4. In: Physical Review Letters, 87 (6). 066404-1.
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We have analyzed the experimental evidence of charge and orbital ordering in La0.5Sr1.5MnO4 using first principles band structure calculations. Our results suggest the presence of two types of Mn sites in the system. One of the Mn sites behaves as an Mn3+ ion, favoring a Jahn-Teller distortion of the surrounding oxygen atoms, while the distortion around the other is not a simple breathing mode kind. Band structure effects are found to dominate the experimental spectrum for orbital and charge ordering, providing an alternate explanation for the experimentally observed results.
|Item Type:||Journal Article|
|Additional Information:||Copyright of this article belongs to American Physical Society.|
|Department/Centre:||Division of Chemical Sciences > Solid State & Structural Chemistry Unit|
|Date Deposited:||10 Feb 2010 08:32|
|Last Modified:||19 Sep 2010 04:56|
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