Tetramer Orbital-Ordering induced Lattice-Chirality in Ferrimagnetic, Polar MnTi2O4

Abstract

Using density-functional theory calculations and experimental investigations on structural, magnetic and dielectric properties, we have elucidated a unique tetragonal ground state for MnTi2O4, a Ti^{3+} (3d^1)-ion containing spinel-oxide. With lowering of temperature around 164 K, cubic MnTi2O4 undergoes a structural transition into a polar P4_1 tetragonal structure and at further lower temperatures, around 45 K, the system undergoes a paramagnetic to ferrimagnetic transition. Magnetic superexchange interactions involving Mn and Ti spins and minimization of strain energy associated with co-operative Jahn-Teller distortions plays a critical role in stabilization of the unique tetramer-orbital ordered ground state which further gives rise to lattice chirality through subtle Ti-Ti bond-length modulations.

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• Two-orbital degeneracy lifted state as a local precursor to a metal-insulator transition