Standard

Local structure of Gd3+ impurity center at cubic sites in fluorites. / Chernyshev, V. A.; Gorlov, A. D.; Mekhonoshin, A. A. et al.
In: Applied Magnetic Resonance, Vol. 14, No. 1, 01.02.1998, p. 37-49.

Research output: Contribution to journal › Article › peer-review

Harvard

Chernyshev, VA, Gorlov, AD, Mekhonoshin, AA, Nikiforov, AE, Rokeakh, AI, Shashkin, SY & Zaharov, AY 1998, 'Local structure of Gd3+ impurity center at cubic sites in fluorites', Applied Magnetic Resonance, vol. 14, no. 1, pp. 37-49. https://doi.org/10.1007/BF03162005

APA

Chernyshev, V. A., Gorlov, A. D., Mekhonoshin, A. A., Nikiforov, A. E., Rokeakh, A. I., Shashkin, S. Y., & Zaharov, A. Y. (1998). Local structure of Gd3+ impurity center at cubic sites in fluorites. Applied Magnetic Resonance, 14(1), 37-49. https://doi.org/10.1007/BF03162005

Vancouver

Chernyshev VA, Gorlov AD, Mekhonoshin AA, Nikiforov AE, Rokeakh AI, Shashkin SY et al. Local structure of Gd3+ impurity center at cubic sites in fluorites. Applied Magnetic Resonance. 1998 Feb 1;14(1):37-49. doi: 10.1007/BF03162005

Author

Chernyshev, V. A. ; Gorlov, A. D. ; Mekhonoshin, A. A. et al. / Local structure of Gd3+ impurity center at cubic sites in fluorites. In: Applied Magnetic Resonance. 1998 ; Vol. 14, No. 1. pp. 37-49.

BibTeX

@article{6ae1657e985c4093846e08a3cd045273,
title = "Local structure of Gd3+ impurity center at cubic sites in fluorites",
abstract = "A computer controlled ENDOR spectrometer and special software are used to determine the coordinates of 19F nuclei in four anionic spheres of cubic MeF2:Gd3+ (Me = Ca, Sr, Ba, Pb) centers. The computer simulation of Gd3+ cubic impurity center in crystals MeF2 (Me = Ca, Sr, Ba) has been also performed. The analysis of lattice relaxation near the impurity center carried out on the base of ENDOR experiments data has allowed us to obtain potential of interaction Gd3+-F-. For the first time not only radial displacements but also angular displacements of F- ions of the third sphere have been taken into account and it has been shown that it influences the determination of lattice relaxation around the impurity center essentially. The influence of hydrostatic pressure (up to 30 kbar) on the local structure of the impurity center has also been investigated using computer simulation. The comparison of the experimental and calculated displacements of distant ions gives a reliable test of the validity of theoretical lattice relaxation model and accuracy of calculations of impurity-directed shifts of ligands.",
author = "Chernyshev, {V. A.} and Gorlov, {A. D.} and Mekhonoshin, {A. A.} and Nikiforov, {A. E.} and Rokeakh, {A. I.} and Shashkin, {S. Yu.} and Zaharov, {A. Yu.}",
note = "This work is partially supported by the Foundation of Fundamental Research of Russia (grant No. 96-03-32130a) and by the Ministry of General and Professional Education of Russia (grant No. 95-0-9.1-301).",
year = "1998",
month = feb,
day = "1",
doi = "10.1007/BF03162005",
language = "English",
volume = "14",
pages = "37--49",
journal = "Applied Magnetic Resonance",
issn = "0937-9347",
publisher = "Springer-Verlag Wien",
number = "1",

}

RIS

TY - JOUR

T1 - Local structure of Gd3+ impurity center at cubic sites in fluorites

AU - Chernyshev, V. A.

AU - Gorlov, A. D.

AU - Mekhonoshin, A. A.

AU - Nikiforov, A. E.

AU - Rokeakh, A. I.

AU - Shashkin, S. Yu.

AU - Zaharov, A. Yu.

N1 - This work is partially supported by the Foundation of Fundamental Research of Russia (grant No. 96-03-32130a) and by the Ministry of General and Professional Education of Russia (grant No. 95-0-9.1-301).

PY - 1998/2/1

Y1 - 1998/2/1

N2 - A computer controlled ENDOR spectrometer and special software are used to determine the coordinates of 19F nuclei in four anionic spheres of cubic MeF2:Gd3+ (Me = Ca, Sr, Ba, Pb) centers. The computer simulation of Gd3+ cubic impurity center in crystals MeF2 (Me = Ca, Sr, Ba) has been also performed. The analysis of lattice relaxation near the impurity center carried out on the base of ENDOR experiments data has allowed us to obtain potential of interaction Gd3+-F-. For the first time not only radial displacements but also angular displacements of F- ions of the third sphere have been taken into account and it has been shown that it influences the determination of lattice relaxation around the impurity center essentially. The influence of hydrostatic pressure (up to 30 kbar) on the local structure of the impurity center has also been investigated using computer simulation. The comparison of the experimental and calculated displacements of distant ions gives a reliable test of the validity of theoretical lattice relaxation model and accuracy of calculations of impurity-directed shifts of ligands.

AB - A computer controlled ENDOR spectrometer and special software are used to determine the coordinates of 19F nuclei in four anionic spheres of cubic MeF2:Gd3+ (Me = Ca, Sr, Ba, Pb) centers. The computer simulation of Gd3+ cubic impurity center in crystals MeF2 (Me = Ca, Sr, Ba) has been also performed. The analysis of lattice relaxation near the impurity center carried out on the base of ENDOR experiments data has allowed us to obtain potential of interaction Gd3+-F-. For the first time not only radial displacements but also angular displacements of F- ions of the third sphere have been taken into account and it has been shown that it influences the determination of lattice relaxation around the impurity center essentially. The influence of hydrostatic pressure (up to 30 kbar) on the local structure of the impurity center has also been investigated using computer simulation. The comparison of the experimental and calculated displacements of distant ions gives a reliable test of the validity of theoretical lattice relaxation model and accuracy of calculations of impurity-directed shifts of ligands.

UR - http://www.scopus.com/inward/record.url?partnerID=8YFLogxK&scp=18444414616

U2 - 10.1007/BF03162005

DO - 10.1007/BF03162005

M3 - Article

VL - 14

SP - 37

EP - 49

JO - Applied Magnetic Resonance

JF - Applied Magnetic Resonance

SN - 0937-9347

IS - 1

ER -

ID: 53694998