title: Effect of metal-ligand bond lengths on superexchange interactions in Jahn-Teller d(4) ion systems: spin dimer analysis of the magnetic structure of marokite CaMn(2)O(4).
abstract: In marokite CaMn(2)O(4), all six Mn-O bonds of each MnO(6) octahedron are different because of the Jahn-Teller distortion so that every Mn(3+) (d(4)) ion has six different superexchange interactions with its neighboring Mn(3+) ions. The spin exchange interactions of CaMn(2)O(4) were examined on the basis of spin dimer analysis to find what geometrical parameters of the Mn-O-Mn superexchange paths control the signs and strengths of their spin exchange interactions. Our work correctly describes the magnetic structure of CaMn(2)O(4) observed from neutron powder diffraction measurements and shows that the antiferromagnetic interactions of the Mn-O-Mn paths depend primarily on the asymmetry and the Mn-O bond length of the Mn-O-Mn bridge, but not on the 90 degree angle Mn-O-Mn bond angle.
authors.affiliation: Department of Chemistry, North Carolina State University, Raleigh, NC 27695-8204, USA. mike_whangbo@ncsu.edu
authors.forename: Myung-Hwan
authors.initials: MH
authors.lastname: Whangbo
authors.forename: Hyun-Joo
authors.initials: HJ
authors.lastname: Koo
authors.forename: Dadi
authors.initials: D
authors.lastname: Dai
authors.forename: Dongwoon
authors.initials: D
authors.lastname: Jung