title: Theoretical analysis of the spin exchange and magnetic dipole-dipole interactions leading to the magnetic structure of Ni3TeO6.
abstract: The origin of the collinear antiferromagnetic magnetic structure of Ni(3)TeO(6) below 52 K was analyzed by calculating its spin exchanges on the basis of density functional calculations, and the cause for the parallelc-spin orientation found for this magnetic structure by calculating the spin-orbit coupling and magnetic dipole-dipole interaction energies. The calculated exchanges correctly predict the observed magnetic structure below 52 K, and lead practically to no spin frustration. The perpendicularc- and parallelc-spin orientations are predicted by the spin-orbit coupling and the magnetic dipole-dipole interactions, respectively. However, the magnetic dipole-dipole interactions are stronger than the spin-orbit coupling interactions, and hence are responsible for the spin orientation observed for Ni(3)TeO(6).
authors.affiliation: School of Science, Nanjing Forestry University, Nanjing, Jiangsu 210037, People's Republic of China.
authors.forename: Fang
authors.initials: F
authors.lastname: Wu
authors.forename: Erjun
authors.initials: E
authors.lastname: Kan
authors.forename: Chuan
authors.initials: C
authors.lastname: Tian
authors.forename: Myung-Hwan
authors.initials: MH
authors.lastname: Whangbo