Binding energy and magnetism of transition metal hydrides

Szpunar, Barbara and Wallace, W. E. and Strange, Paul (1987) Binding energy and magnetism of transition metal hydrides. Journal of Less Common Metals, 128 . pp. 143-153. ISSN 0022-5088.. (doi:https://doi.org/10.1016/0022-5088(87)90200-1) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided. (Contact us about this Publication)
Official URL
http://dx.doi.org/10.1016/0022-5088(87)90200-1

Abstract

Self-consistent density functional calculations for nickel and manganese hydrides are reported. The linear muffin-tin orbital (LMTO) method was used to calculate spin-polarized energy bands for several lattice constants and crystal structures. Total energies have been calculated and the importance of the Madelung energy has been demonstrated.

Item Type: Article
Subjects: Q Science > QC Physics > QC176 Solid state physics
Divisions: Faculties > Sciences > School of Physical Sciences
Depositing User: Paul Strange
Date Deposited: 02 Sep 2015 13:50 UTC
Last Modified: 04 Sep 2015 14:21 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/50367 (The current URI for this page, for reference purposes)
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