Spin singlet formation in MgTi$_2$O$_4$: evidence of a helical dimerization pattern

Details Spin singlet formation in MgTi$_2$O$_4$: evidence of a helical dimerization pattern Spin singlet formation in MgTi$_2$O$_4$: evidence of a helical dimerization pattern

2003-08-06

arxiv.org/abs/cond-mat/0308101v1

Physics

Condensed Matter

Scientific paper

10.1103/PhysRevLett.92.056402

The transition metal spinel MgTi$_2$O$_4$ undergoes a metal-insulator transition on cooling below $T_{M-I} = 260$ K. A sharp reduction of the magnetic susceptibility below $T_{M-I}$ suggests the onset of a magnetic singlet state. Using high-resolution synchrotron and neutron powder diffraction, we have solved the low-temperature crystal structure of MgTi$_2$O$_4$, which is found to contain dimers with short Ti-Ti distances (the locations of the spin singlets) alternating with long bonds to form helices. Band structure calculations based on hybrid exchange density functional theory show that, at low temperatures, MgTi$_2$O$_4$ is an orbitally ordered band insulator.

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