Phys. Rev. Lett. 101, 116402 (2008) [4 pages]Inverse Jahn-Teller Transition in Bimetallic OxalatesReceived 31 March 2008; published 12 September 2008 Because of the competition between the spin-orbit coupling and the Jahn-Teller (JT) energies in Fe(II)Fe(III) bimetallic oxalates, we theoretically predict that an undistorted phase with C3 symmetry about each Fe site may be recovered at low temperatures. Both lower and upper JT transitions bracketing the ferrimagnetic transition temperature Tc are predicted for compounds that exhibit magnetic compensation. Comparisons with recent measurements and first-principles calculations provide strong evidence for the inverse JT transition below Tc. © 2008 The American Physical Society URL:
http://link.aps.org/doi/10.1103/PhysRevLett.101.116402
DOI:
10.1103/PhysRevLett.101.116402
PACS:
71.70.Ej, 75.10.Dg, 75.30.Gw, 75.50.Xx
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