title: Geometrical frustration in the spin liquid β'-Me3EtSb[Pd(dmit)2]2 and the valence-bond solid Me3EtP[Pd(dmit)2]2.
abstract: We show that the electronic structures of the title compounds predicted by density functional theory are well described by tight binding models. We determine the frustration ratio, J'/J, of the Heisenberg model on the anisotropic triangular lattice, which describes the spin degrees of freedom in the Mott insulating phase for a range of Pd(dmit)2 salts. All of the antiferromagnetic materials studied have J'/J is < or approximately equal to 0.5 or J'/J > or approximately equal to 0.9, and all salts with 0.5 < or approximately equal to J'/J < or approximately equal to 0.9 are known, experimentally, to be charge ordered valence-bond solids or spin liquids.
authors.affiliation: Centre for Organic Photonics and Electronics, School of Mathematics and Physics, University of Queensland, Brisbane, Queensland 4072, Australia.
authors.forename: E P
authors.initials: EP
authors.lastname: Scriven
authors.forename: B J
authors.initials: BJ
authors.lastname: Powell