Aerts, C and Strange, P. and Horne, M. and Temmerman, WM and Szotek, Z. and Svane, A. (2004) Half-metallic to insulating behaviour of rare earth nitrides. Physical Review B, 69 (4). 045115. ISSN 1098-0121.
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Abstract
The calculations reported here employed Density Functional Theory (DFT) with self-interaction corrections in a systematic study of the electronic, magnetic and valence properties of all the rare earth nitrides. Study of the effect of self-interaction corrections is an international effort involving researchers in UK (Kent, Daresbury), USA (Oak Ridge), Denmark (Aarhus) and Germany (Karlsruhe). The project here is one led by researchers at Kent to study the efficacy and range of applicability of this method and how well it describes rare earth nitrides.
| Item Type: | Article |
|---|---|
| Subjects: | Q Science Q Science > QC Physics |
| Divisions: | Faculties > Science Technology and Medical Studies > School of Physical Sciences |
| Depositing User: | Sara Witchell |
| Date Deposited: | 19 Dec 2007 18:33 |
| Last Modified: | 14 Jan 2010 14:00 |
| Resource URI: | http://kar.kent.ac.uk/id/eprint/866 (The current URI for this page, for reference purposes) |
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