Ferro-octupolar Order and Low-Energy Excitations ind2Double Perovskites of Osmium,Physical Review Letters

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Ferro-octupolar Order and Low-Energy Excitations ind2Double Perovskites of Osmium
Physical Review Letters ( IF 8.1 ) Pub Date : 2021-11-30 , DOI: 10.1103/physrevlett.127.237201
Leonid V Pourovskii _{1,

2} , Dario Fiore Mosca ₃ , Cesare Franchini _{3,

4}

Affiliation

Conflicting interpretations of experimental data preclude the understanding of the quantum magnetic state of spin-orbit coupled

d^{2}

double perovskites. Whether the ground state is a Janh-Teller–distorted order of quadrupoles or the hitherto elusive octupolar order remains debated. We resolve this uncertainty through direct calculations of all-rank intersite exchange interactions and inelastic neutron scattering cross section for the

d^{2}

double perovskite series

{Ba}_{2} M {OsO}_{6}

(

M = Ca

, Mg, Zn). Using advanced many-body first-principles methods, we show that the ground state is formed by ferro-ordered octupoles coupled by superexchange interactions within the ground-state

E_{g}

doublet. Computed ordering temperature of the single second-order phase transition is consistent with experimentally observed material-dependent trends. Minuscule distortions of the parent cubic structure are shown to qualitatively modify the structure of gaped magnetic excitations.

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