Magneto-Dielectric Effect in the S = 1/2 Quasi-Two Dimensional   Antiferromagnet K2V3O8
  We report the optical and magneto-optical properties of K2V3O8, an S=1/2 quasi-two-dimensional Heisenberg antiferromagnet. Local spin density approximation electronic structure calculations are used to assign the observed excitations and analyze the field dependent features. Two large magneto-optical effects, centered at ~1.19 and 2.5 eV, are attributed to field-induced changes in the V 4+ d to d on-site excitations due to modification of the local crystal field environment of the VO5 square pyramids with applied magnetic field. Taken together, the evidence for a soft lattice, the presence of vibrational fine structure on the sharp 1.19 eV magneto-optical feature,and the fact that these optical excitations are due to transitions from a nearly pure spin polarized V d state to hybridized states involving both V and O, suggest that the magneto-dielectric effect in K2V3O8 is driven by strong lattice coupling. 
R. C. Rai, J. Cao, J. L. Musfeldt (Department of Chemistry, University   of Tennessee, Knoxville, TN) D. J. Singh, R. Jin, Z...