ResearchSpace

Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide

Show simple item record

dc.contributor.author Ngoepe, PE en_US
dc.contributor.author Ntoahae, PS en_US
dc.contributor.author Mangwejane, SS en_US
dc.contributor.author Sithole, Happy M en_US
dc.contributor.author Parker, SC en_US
dc.contributor.author Wright, KV en_US
dc.contributor.author De Leeuw, NH en_US
dc.date.accessioned 2007-03-26T11:49:53Z en_US
dc.date.accessioned 2007-06-07T10:05:16Z
dc.date.available 2007-03-26T11:49:53Z en_US
dc.date.available 2007-06-07T10:05:16Z
dc.date.copyright en_US
dc.date.issued 2005-09 en_US
dc.identifier.citation Ngoepe, P.E., et al. 2005. Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide. South African Journal of Science, vol. 101, 10 September, 2005, pp 480-483 en_US
dc.identifier.issn 0038-2353 en_US
dc.identifier.uri http://hdl.handle.net/10204/2058 en_US
dc.identifier.uri http://hdl.handle.net/10204/2058
dc.description.abstract The authors present the results of atomistic simulations using derived interatomic potentials for the pyrite-structured metal chalcogenides FeS2, PtSb2 and PtAs2. Structural and elastic constants were calculated and compared with experimental measurements. Surface energies of low-index surfaces were calculated and closely reflected the measured stabilities of these compounds. Equivalent surfaces on the pyrite and marcasite structures of FeS2 explained the experimentally observed intergrowths of the two phases. en_US
dc.format.extent 404214 bytes en_US
dc.format.mimetype application/pdf en_US
dc.language.iso en en_US
dc.publisher Acad Science South Africa en_US
dc.rights Copyright: 2005 Acad Science South Africa en_US
dc.source en_US
dc.subject Atomistic simulations en_US
dc.subject Surface energies en_US
dc.subject Iron sulphide en_US
dc.subject Platinum antimonide en_US
dc.subject Platinum arsenide en_US
dc.subject Multidisciplinary sciences en_US
dc.title Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide en_US
dc.type Article en_US
dc.identifier.apacitation Ngoepe, P., Ntoahae, P., Mangwejane, S., Sithole, H. M., Parker, S., Wright, K., & De Leeuw, N. (2005). Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide. http://hdl.handle.net/10204/2058 en_ZA
dc.identifier.chicagocitation Ngoepe, PE, PS Ntoahae, SS Mangwejane, Happy M Sithole, SC Parker, KV Wright, and NH De Leeuw "Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide." (2005) http://hdl.handle.net/10204/2058 en_ZA
dc.identifier.vancouvercitation Ngoepe P, Ntoahae P, Mangwejane S, Sithole HM, Parker S, Wright K, et al. Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide. 2005; http://hdl.handle.net/10204/2058. en_ZA
dc.identifier.ris TY - Article AU - Ngoepe, PE AU - Ntoahae, PS AU - Mangwejane, SS AU - Sithole, Happy M AU - Parker, SC AU - Wright, KV AU - De Leeuw, NH AB - The authors present the results of atomistic simulations using derived interatomic potentials for the pyrite-structured metal chalcogenides FeS2, PtSb2 and PtAs2. Structural and elastic constants were calculated and compared with experimental measurements. Surface energies of low-index surfaces were calculated and closely reflected the measured stabilities of these compounds. Equivalent surfaces on the pyrite and marcasite structures of FeS2 explained the experimentally observed intergrowths of the two phases. DA - 2005-09 DB - ResearchSpace DP - CSIR KW - Atomistic simulations KW - Surface energies KW - Iron sulphide KW - Platinum antimonide KW - Platinum arsenide KW - Multidisciplinary sciences LK - https://researchspace.csir.co.za PY - 2005 SM - 0038-2353 T1 - Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide TI - Atomistic simulation studies of iron sulphide, platinum antimonide and platinum arsenide UR - http://hdl.handle.net/10204/2058 ER - en_ZA


Files in this item

Thumbnail
Name: ngoepe_1_2005.pdf
Size: 394.7Kb
Format: PDF
View/Open

This item appears in the following Collection(s)

Show simple item record