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
https://doi.org/10.26907/mrsej-19205
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 of 51V 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.
Supporting agencies: This work was performed using «Uran» supercomputer of IMM UB RAS in the framework of the State Task of the FASO of the Russian Federation (theme “Diagnostics”, no. АААА-А18-118020690196-3) and was supported in part by the RFBR no. 18-32-00690.
About the Author
P. A. Agzamova
M.N. Miheev Institute of Metal Physics of Ural Branch of Russian Academy of Sciences; Ural Federal University
Russian Federation
Russian Federation
S. Kovalevskaya str. 18, Ekaterinburg 620108; Mira str. 19, Ekaterinburg 620002
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Review
For citations:
Agzamova P.A. 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. Magnetic Resonance in Solids. 2019;21(2):19205 (7 pp.). https://doi.org/10.26907/mrsej-19205
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