This article is cited in 2 papers

CONDENSED MATTER

Static displacement of a guest atom in filled skutterudites $\mathrm{MFe}_4\mathrm{Sb}_{12}$ ($\mathrm M=\mathrm{La},\mathrm{Ca},\mathrm{Na}$)

A. A. Gippius^ab, K. S. Okhotnikov^a, A. V. Shevel'kov<sup>c

a</sup> M. V. Lomonosov Moscow State University, Faculty of Physics
^b Institute of Cristallography RAS
^c M. V. Lomonosov Moscow State University, Department of Chemistry

Abstract: The properties of filled skutterudites MFe₄Sb₁₂ (M = La, Ca, Na) have been analyzed using the nuclear magnetic resonance (NMR) and nuclear quadrupole resonance (NQR) methods. Two lines have been observed on the ¹³⁹La NMR spectrum of the LaFe₄Sb₁₂ compound and a substructure has been revealed in the ¹²¹Sb and ¹²³Sb lines in the NQR spectra of LaFe₄Sb₁₂ and CaFe₄Sb₁₂. The concept of the partial static displacement of guest atoms (M) in LaFe₄Sb₁₂ and CaFe₄Sb₁₂ has been proposed. The ab initio calculations confirm this assumption as well as give the displacement of a guest atom and indicate the absence of the splitting of the ¹³⁹La NMR line in the LaFe₄Sb₁₂ spectrum.

PACS: 71.15.Ap, 76.60.Gv

Received: 18.12.2008
Revised: 21.01.2009

 English version: Journal of Experimental and Theoretical Physics Letters, 2009, 89:4, 200–204

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