Influence of structure effects and orbital ordering on the magnetic hyperfine field in pyrochlore oxides R2V2O7 (R = Lu, Yb, Tm, Er, Ho): Ab initio calculations

Abstract

The detailed ab initio calculations of crystal structure and hyperfine interaction parameters are presented for R2V2O7 system (R = Ho, Er, Tm, Yb, Lu) to investigate the effect of the V-ion environment due to R-ion substitution on the local magnetic properties of51V nucleus. It is shown that this effect is very small, but the orbital ordering dictates a large anisotropy of magnetic hyperfine tensor in R2V2O7 system. © Kazan Federal University (KFU)*.