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Experimental and theoretical investigation of the crystal structure of CuS

Gotsis, H. J., Barnes, A. C., Strange, Paul (1992) Experimental and theoretical investigation of the crystal structure of CuS. Journal of Physics: Condensed Matter, 4 (50). pp. 10461-10468. ISSN 0953-8984. (doi:10.1088/0953-8984/4/50/034) (Access to this publication is currently restricted. You may be able to access a copy if URLs are provided) (KAR id:49985)

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The crystal structure of CuS has been confirmed experimentally using the powder diffraction method on the high-resolution powder diffractometer at the Rutherford-Appleton laboratory. The observed crystal structure is P6_3/mmc . Standard density functional calculations on CuS on a variety of crystal structures are also reprled. The calculations also predict P6_3/mmc as the stable crystal structure. On the basis of the agreement between theory and experiment we are able to discuss the delails of the bonding in this material.

Item Type: Article
DOI/Identification number: 10.1088/0953-8984/4/50/034
Uncontrolled keywords: Physics of Quantum Materials
Subjects: Q Science > QC Physics > QC176 Solid state physics
Divisions: Divisions > Division of Natural Sciences > School of Physical Sciences
Depositing User: Paul Strange
Date Deposited: 03 Aug 2015 08:54 UTC
Last Modified: 16 Feb 2021 13:27 UTC
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