Binding energy and magnetism of transition metal hydrides

Szpunar, Barbara, Wallace, W. E., Strange, Paul (1987) Binding energy and magnetism of transition metal hydrides. Journal of Less Common Metals, 128 . pp. 143-153. ISSN 0022-5088.. (doi: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)

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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
DOI/Identification number: 10.1016/0022-5088(87)90200-1
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: 29 May 2019 15:58 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/50367 (The current URI for this page, for reference purposes)
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