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)

PDF Publisher pdf Language: English Restricted to Repository staff only

Official URL: http://www.dx.doi.org/10.1088/0953-8984/4/50/034

Abstract

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
Institutional Unit:	Schools > School of Engineering, Mathematics and Physics > Physics and Astronomy
Former Institutional Unit:	School of Physical Sciences Divisions > Division of Natural Sciences > Physics and Astronomy
Depositing User:	Paul Strange
Date Deposited:	03 Aug 2015 08:54 UTC
Last Modified:	20 May 2025 09:39 UTC
Resource URI:	https://kar.kent.ac.uk/id/eprint/49985 (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
CReDIT Contributor Roles:

Depositors only (login required):

Altmetric

Total Views

Total unique views of this page since July 2020. For more details click on the image.