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arXiv · 0904.4401

Orbitally relieved magnetic frustration in NaVO2

Ting Jia·Guoren Zhang·Zhi Zeng·H. Q. Lin
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Abstract

The magnetic properties of NaVO2 are investigated using full-potential linearized augmented plane wave method. We perform calculations for three structures. For the rhombohedral structure at 100 K, the t2g orbitals of V ions are split into upper a1g and lower e'g orbitals by a trigonal distortion of compression. For the monoclinic structure at 91.5 K, the system behaves like a frustrated spin lattice with spatially anisotropic exchange interactions. For another monoclinic structure at 20 K, the magnetic frustration is relieved by a lattice distortion which is driven by a certain orbital ordering, and the long-range magnetic ordering is thus formed. Moreover, the small magnetic moment originates from the compensation oforbital moment for the spin moment.

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Ting Jia, Guoren Zhang, Zhi Zeng, H. Q. Lin. 2009-04-28. Orbitally relieved magnetic frustration in NaVO2. https://doi.org/10.1103/physrevb.80.045103

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