title: Search of low-dimensional magnetics on the basis of structural data: spin-1/2 antiferromagnetic zigzag chain compounds In(2)VO(5), β-Sr(VOAsO(4))(2), (NH(4),K)(2)VOF(4) and α-ZnV(3)O(8).
abstract: A new technique for searching low-dimensional compounds on the basis of structural data is presented. The sign and strength of all magnetic couplings at distances up to 12 Å in five predicted new antiferromagnetic zigzag spin-1/2 chain compounds In(2)VO(5), β-Sr(VOAsO(4))(2), (NH(4))(2)VOF(4), K(2)VOF(4) and α-ZnV(3)O(8) were calculated. It was stated that in the compound In(2)VO(5) zigzag spin chains are frustrated, since the ratio (α = J(2)/J(1)) of competing antiferromagnetic (AF) nearest- (J(1)) and AF next-to-nearest-neighbour (J(2)) couplings is equal to 1.68 that exceeds the Majumdar-Ghosh point by 1/2. In other compounds the zigzag spin chains are AF magnetically ordered single chains as [Formula: see text]. The interchain couplings were analysed in detail.
authors.affiliation: Institute of Chemistry, Far Eastern Branch of the Russian Academy of Sciences, 690022 Vladivostok, Russia.
authors.forename: L M
authors.initials: LM
authors.lastname: Volkova