Solid state 27Al NMR investigation of Knight shift tensors of LnAl2 (Ln=Y, La and Lu) and correlation with DFT calculations

Article ID	Journal	Published Year	Pages	File Type
5420545	Solid State Nuclear Magnetic Resonance	2012	4 Pages	PDF

Abstract

âº 27Al isotropic Knight shifts were measured in LnAl2 (Ln=Y, La, Lu) cubic laves phases. âº Calculations within DFT theory framework for these phases were also performed. âº The shifts were found to originate from s character density of states at the Fermi level on Al sites.

Keywords

Quadrupole interactions electronic structure Knight shift Density function theory

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Solid state 27Al NMR investigation of Knight shift tensors of LnAl2 (Ln=Y, La and Lu) and correlation with DFT calculations

Authors

C.C. Yuan, Y.-F. Yang, X.K. Xi, J. Cui, J.F. Xiang,