Frustrated Magnetism in Mott Insulating (V${}_{1-x}$Cr${}_x$)${}_2$O${}_3$

Abstract

V2O3 famously features all four combinations of paramagnetic vs antiferromagnetic, and metallic vs insulating states of matter in response to %-level doping, pressure in the GPa range, and temperature below 300 K. Using time-of-flight neutron spectroscopy combined with density functional theory calculations of magnetic interactions, we have mapped and analyzed the inelastic magnetic neutron scattering cross section over a wide range of energy and momentum transfer in the chromium stabilized antiferromagnetic and paramagnetic insulating phases (AFI & PI). Our results reveal an important magnetic frustration and degeneracy of the PI phase which is relieved by the rhombohedral to monoclinic transition at $T_N=185$ K due to a significant magneto-elastic coupling. This leads to the recognition that magnetic frustration is an inherent property of the paramagnetic phase in $({\mathrm{V}}_{1-\mathrm{x}}\mathrm{C}{\mathrm{r}}_{\mathrm{x}}{)}_2{\mathrm{O}}_3$ and plays a key role in suppressing the magnetic long range ordering temperature and exposing a large phase space for the paramagnetic Mott metal-insulator transition to occur.

arXiv comment16 pages, 11 figures

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• The magnetic origin of the metal-insulator transition in V2O3: Mott meets Slater
• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
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• Computational studies on magnetism and ferroelectricity