Simple theory of the electronic structure: clusters to crystals

Update Item Information
Publication Type Journal Article
School or College College of Engineering
Department Materials Science & Engineering
Creator Liu, Feng
Other Author Press, M. R.; Khanna, S. N.; Jena, P.
Title Simple theory of the electronic structure: clusters to crystals
Date 1988-09
Description A simple scheme based upon a cross between the molecular clusters and the tight-binding theory has been developed to calculate the electronic structure of a large class of systems ranging from molecules to solids. The method is applied to study the variations in the magnetic moments of Fe and Ni forming clusters, bulk, surfaces, thin films, and voids. The results are in good agreement with state-of-the-art theoretical techniques and available experimental data. The present method has the additional advantage that it can be applied to imperfect systems with equal ease.
Type Text
Publisher American Physical Society
Journal Title Physical Review B
Volume 38
Issue 8
First Page 5760
Last Page 5763
DOI 10.1103/PhysRevB.38.5760
citatation_issn 0163-1829
Subject Clusters; Tight-binding theory; Magnetic moment
Subject LCSH Electronic structure; Crystals; Microclusters
Language eng
Bibliographic Citation Liu, F., Press, M. R., Khanna, S. N., & Jena, P. (1988). Simple theory of the electronic structure: clusters to crystals. Physical Review B, 38(8), 5760-3.
Rights Management (c) American Physical Society http://dx.doi.org/10.1103/PhysRevB.38.5760
Format Medium application/pdf
Format Extent 362,208 bytes
Identifier ir-main,12238
ARK ark:/87278/s6988r97
Setname ir_uspace
ID 704179
Reference URL https://collections.lib.utah.edu/ark:/87278/s6988r97