from 28 June 2015 to 3 July 2015 (Africa/Johannesburg)
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SAIP2015 Proceeding published on 17 July 2016
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Computational Modelling Studies of Platinum Telluride Minerals

Presented by Mr. Phatholo SELOWA on 30 Jun 2015 from 11:10 to 11:30
Type: Oral Presentation
Session: DPCMM
Track: Track A - Division for Physics of Condensed Matter and Materials

Abstract

Besides being the important carriers of precious metals, telluride minerals are minor constituents in an ore deposits from a wide diversity of geological environments. In spite of the fact that these telluride minerals are of significant economic importance, not much has been done on their recovery. In this work density functional theory (DFT) method was employed to study the structural, energetic, electronic and mechanical properties of the PtTe<sub>2</sub> structure. In addition, the low Miller index {100}, {110} and {111} for PtTe<sub>2</sub> mineral were investigated. The calculated lattice constants of PtTe<sub>2</sub> structure are in a good agreement with the experimental data. The elastic properties satisfied all necessary conditions for mechanical stability. The surface {100} was found to be stable since it gave the lowest positive surface energy.

Award

yes

Level

MSc

Supervisor

Prof. Phuti Ngoepe. phuti.Ngoepe@ul.ac.za

Paper

No

Permission

yes

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