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Condensed Matter > Strongly Correlated Electrons

arXiv:0709.2520 (cond-mat)
[Submitted on 16 Sep 2007]

Title:Orbital-quenching-induced magnetism in Ba_2NaOsO_6

Authors:K.-W. Lee, W. E. Pickett
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Abstract: The double perovskite \bnoo with heptavalent Os ($d^1$) is observed to remain in the ideal cubic structure ({\it i.e.} without orbital ordering) despite single occupation of the $t_{2g}$ orbitals, even in the ferromagnetically ordered phase below 6.8 K. Analysis based on the {\it ab initio} dispersion expressed in terms of an Os $t_{2g}$-based Wannier function picture, spin-orbit coupling, Hund's coupling, and strong Coulomb repulsion shows that the magnetic OsO$_6$ cluster is near a moment-less condition due to spin and orbital compensation. Quenching (hybridization) then drives the emergence of the small moment. This compensation, unprecedented in transition metals, arises in a unified picture that accounts for the observed Mott insulating behavior.
Comments: in press at Europhysics Letters
Subjects: Strongly Correlated Electrons (cond-mat.str-el); Materials Science (cond-mat.mtrl-sci)
Cite as: arXiv:0709.2520 [cond-mat.str-el]
  (or arXiv:0709.2520v1 [cond-mat.str-el] for this version)
  https://doi.org/10.48550/arXiv.0709.2520
Journal reference: EPL 80, 37008 (2007)
Related DOI: https://doi.org/10.1209/0295-5075/80/37008

Submission history

From: Kwan-Woo Lee [view email]
[v1] Sun, 16 Sep 2007 23:52:34 UTC (76 KB)
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