The electronic structures of uranium borides from local spin density functional calculations

Authors
Matar, SF Etourneau, J
Citation
Sf. Matar et J. Etourneau, The electronic structures of uranium borides from local spin density functional calculations, INT J INORG, 2(1), 2000, pp. 43-51
Citations number
19
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
INTERNATIONAL JOURNAL OF INORGANIC MATERIALS
ISSN journal
14666049 → ACNP
Volume
2
Issue
1
Year of publication
2000
Pages
43 - 51
Database
ISI
SICI code
1466-6049(200002)2:1<43:TESOUB>2.0.ZU;2-F
Abstract
The electronic structures of the binary uranium borides UB2, UB4,'UB6', UB1 2 and MB6 (M=Th, Np) are calculated within the local spin density functiona l theory using the augmented spherical wave (ASW) method. The analyses of t he properties of hybridization and of chemical bonding allow us to propose trends for explaining the stability of the different compounds. (C) 2000 El sevier Science Ltd. All rights reserved.