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Persistent URL	http://purl.org/net/epubs/work/29437
Record Status	Checked
Record Id	29437
Title	Spin singlet formation in MgTi₂O₄: Evidence of a helical dimerization pattern
Contributors	M Schmidt (CCLRC Rutherford Appleton Lab., and Michigan State U.), W Ratcliff (Rutgers U.), P G Radaelli (CCLRC Rutherford Appleton Lab., and University College London), K Refson (CCLRC Rutherford Appleton Lab.), N M Harrison (CCLRC Daresbury Lab., and Imperial College London), S W Cheong (Rutgers U.)
Abstract	The transition-metal spinel MgTi2O4 undergoes a metal-insulator (M-I) transition on cooling below TM?I = 260 K. A sharp reduction of the magnetic susceptibility below TM?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 MgTi2O4, 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, MgTi2O4 is an orbitally ordered band insulator.
Organisation	CCLRC , ISIS , CSE , ISIS-GEM , ISIS-HRPD , ISIS-ESRF , CSE-CMSG
Keywords	ISIS 2004 , Crystal
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Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Journal Article	Phys Rev Lett 92, no. 5 (2004): 056402.	doi:10.1103/PhysRevLett.92.056402		2004