Physics – Condensed Matter – Strongly Correlated Electrons
Scientific paper
2005-05-02
Phys. Rev. B 72, 020408(R) (2005)
Physics
Condensed Matter
Strongly Correlated Electrons
Scientific paper
10.1103/PhysRevB.72.020408
Motivated by recent theoretical and experimental controversy, we present a theoretical study to clarify the orbital symmetry of the ground state of vanadium spinel oxides AV$_2$O$_4$ (A=Zn, Mg, Cd). The study is based on an effective Hamiltonian with spin-orbital superexchange interaction and a local spin-orbit coupling term. We construct a classical phase-diagram and prove the complex orbital nature of the ground state. Remarkably, with our new analysis we predict correctly also the coherent tetragonal flattening of oxygen octahedra. Finally, through analytical considerations as well as numerical ab-initio simulations, we propose how to detect the predicted complex orbital ordering through vanadium K edge resonant x-ray scattering.
Jackeli George
Matteo Sergio Di
Perkins Natalia B.
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