Journal article

Transferred hyperfine interactions for Yb3+ ions in CsCaF3 and Cs2NaYF6 single crystals: Experimental and ab initio study


Authors listFalin, M. L.; Anikeenok, O. A.; Latypov, V. A.; Khaidukov, N. M.; Callens, F.; Vrielinck, H.; Hoefstaetter, A.

Publication year2009

JournalPhysical Review B

Volume number80

Issue number17

ISSN2469-9950

eISSN2469-9969

Open access statusGreen

DOI Linkhttps://doi.org/10.1103/PhysRevB.80.174110

PublisherAmerican Physical Society


Abstract
The results of an electron-nuclear double resonance study of the cubic paramagnetic Yb3+ center in Cs2NaYF6 and CsCaF3 single crystals are presented. The values and signs of the transferred hyperfine interaction (THFI) parameters for several neighboring shells are determined. It is found that the relevant parameters for the two studied matrices differ, in spite of the fact that the nearest environment of the rare earth ion is nearly identical. A first-principles theoretical analysis is performed for the THFI parameters of the first coordination shell of F- ions. Several mechanisms of metal ion-ligand coupling are considered and it is found that one of them, ligand polarization, explains the difference observed for the THFI parameters in Cs2NaYF6 and CsCaF3.



Citation Styles

Harvard Citation styleFalin, M., Anikeenok, O., Latypov, V., Khaidukov, N., Callens, F., Vrielinck, H., et al. (2009) Transferred hyperfine interactions for Yb3+ ions in CsCaF3 and Cs2NaYF6 single crystals: Experimental and ab initio study, Physical Review B, 80(17), Article 174110. https://doi.org/10.1103/PhysRevB.80.174110

APA Citation styleFalin, M., Anikeenok, O., Latypov, V., Khaidukov, N., Callens, F., Vrielinck, H., & Hoefstaetter, A. (2009). Transferred hyperfine interactions for Yb3+ ions in CsCaF3 and Cs2NaYF6 single crystals: Experimental and ab initio study. Physical Review B. 80(17), Article 174110. https://doi.org/10.1103/PhysRevB.80.174110



Keywords


1ST-PRINCIPLES CALCULATIONScaesium compoundscalcium compoundsCOVALENCYENDORFIELDShyperfine interactionsKNIF3paramagnetic resonanceRARE-EARTH IONSsodium compoundsSPIN-DENSITIESyttrium compounds

Last updated on 2025-10-06 at 09:52