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|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.
|Keywords:||Electronic structure;Ions;Lithium;Nitrides||Issue Date:||1987||Publisher:||Springer Link||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:||http://ktisis.cut.ac.cy/handle/10488/7702||ISSN:||0304-3843 (print)
|DOI:||10.1007/BF02072723||Rights:||© 1987 J.C. Baltzer A.G., Scientific Publishing Company.||Type:||Article|
|Appears in Collections:||Άρθρα/Articles|
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