Neutron diffraction study of quasi-one-dimensional lithium purple bronze: Possible mechanism for dimensional crossover

Author(s)

da Luz, M. S. ^[1] ; Neumeier, J. J. ^[1] ; dos Santos, C. A. M. ^{[1, 2]} ; White, B. D. ^[1] ; Izario Filho, H. J. ^[2] ; Leao, J. B. ^[3] ; Huang, Q. ^[3]

Affiliation

^[1] Montana State Univ, Dept Phys, Bozeman, MT 59717 - USA

^[2] Escola Engn Lorena USP, BR-12602810 Lorena, SP - Brazil

^[3] Natl Inst Stand & Technol, NIST Ctr Neutron Res, Gaithersburg, MD 20899 - USA

• Document type: Journal article
• Source: Physical Review B; v. 84, n. 1, p. 014108, 2011.
• Web of Science Citations: 17

Abstract

The crystallographic structure of quasi-one-dimensional lithium purple bronze (LPB) was investigated using neutron powder diffraction (NPD) at temperatures T in the range 5 < T < 295 K. It has a monoclinic symmetry with space group P2(1)/m, the lattice parameters at 295 K are a = 12.7530(4) angstrom, b = 5.5239(1) angstrom, c = 9.4909(2) angstrom, and beta = 90.588(2)degrees. The sample stoichiometry was determined, through chemical analysis and refinement of the NPD data, to be Li(0.924)Mo(6)O(17). The linear thermal expansion of the lattice parameters agrees with previously reported high-resolution dilatometry measurements. The bond-valence-sum method was applied to calculate the valence of each Mo ion as a function of T, which allows discussion of the mechanism by which charge is transferred between the double one-dimensional conducting chains. (AU)

• FAPESP's process: 09/14524-6 - Re-liquefier for using in a 9 t MagLab Oxford
• Grantee: Carlos Alberto Moreira dos Santos
• Support Opportunities: Regular Research Grants