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) (KAR id:50367)
| 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. | |
| 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 |
| Uncontrolled keywords: | Physics of Quantum Materials |
| Subjects: | Q Science > QC Physics > QC176 Solid state physics |
| Divisions: | Divisions > Division of Natural Sciences > Physics and Astronomy |
| Depositing User: | Paul Strange |
| Date Deposited: | 02 Sep 2015 13:50 UTC |
| Last Modified: | 16 Nov 2021 10:20 UTC |
| Resource URI: | https://kar.kent.ac.uk/id/eprint/50367 (The current URI for this page, for reference purposes) |
University of Kent Author Information
Strange, Paul.
| Creator's ORCID: |
 https://orcid.org/0000-0001-5818-8032
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