Dimerization and charge order in hollandite K2V 8O16

Abstract

The metal-insulator transition occurring in hollandite K2V 8O16 has been studied by means of neutron and x-ray diffraction as well as by thermodynamic and electron-spin resonance measurements. The complete analysis of the crystal structure in the distorted phase allows us to identify dimerization as the main distortion element in insulating K2V8O16. At low-temperature, half of the V chains are dimerized perfectly explaining the suppression of magnetic susceptibility due to the formation of spin singlets. The dimerization is accompanied by the segregation of charges into chains. © 2011 American Physical Society.