Hartree-fock cluster investigations of electronic structure and nuclear quadrupole interaction in the superionic conductor li3n

Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.14279/1468

Title:	Hartree-fock cluster investigations of electronic structure and nuclear quadrupole interaction in the superionic conductor li3n
Authors:	Mishra, Kailash C. Das, Tara Prasad Kelires, Pantelis C.
metadata.dc.contributor.other:	Κελίρης, Παντελής
Keywords:	Electronic structure;Ions;Lithium;Nitrides
Issue Date:	1987
Source:	Hyperfine Interactions,1987, Volume 34, Issue 1-4, Pages 289-292
Abstract:	The nuclear quadrupole interactions for7Li and14N nuclei are studied for lithium nitride crystal using the Hartree-Fock cluster procedure to obtain the electronic structure. The influence of the Madelung potential due to the ions outside the cluster was incorporated in a first-principle manner. Our results for the quadrupole coupling constants will be compared with experimental data and the results of a recent band calculation.
URI:	https://hdl.handle.net/20.500.14279/1468
ISSN:	0304-3843 (print) 1572-9540 (online)
DOI:	10.1007/BF02072723
Rights:	© 1987 J.C. Baltzer A.G., Scientific Publishing Company.
Type:	Article
Affiliation:	University of New York at Albany
Appears in Collections:	Άρθρα/Articles

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