Spin Singlet Formation in [Formula presented]: Evidence of a Helical Dimerization Pattern

M. Schmidt, W. Ratcliff, P. G. Radaelli, K. Refson, N. M. Harrison, S. W. Cheong

Research output: Contribution to journalArticlepeer-review

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The transition-metal spinel [Formula presented] undergoes a metal-insulator (M-I) transition on cooling below [Formula presented]. A sharp reduction of the magnetic susceptibility below [Formula presented] 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 [Formula presented], 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, [Formula presented] is an orbitally ordered band insulator.

Original languageEnglish (US)
Pages (from-to)4
Number of pages1
JournalPhysical review letters
Issue number5
StatePublished - 2004

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)


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