7-11 July 2014
Africa/Johannesburg timezone
<a href="http://events.saip.org.za/internalPage.py?pageId=16&confId=34"><font color=#0000ff>SAIP2014 Proceedings published on 17 April 2015</font></a>

Computational modelling studies of Pd tellurides

9 Jul 2014, 17:10
1h 50m
D Ring ground level

D Ring ground level

Board: A.106
Poster Presentation Track A - Division for Physics of Condensed Matter and Materials Poster2


Mr Phatholo Fredy SELOWA (University of Limpopo)

Abstract content <br> &nbsp; (Max 300 words)<br><a href="http://events.saip.org.za/getFile.py/access?resId=0&materialId=0&confId=34" target="_blank">Formatting &<br>Special chars</a>

Telluride minerals are minor or trace components in ore deposits from a wide variety of geological environments. They are also important carriers of precious metals, especially of Pt, Pd, Au and Ag. In nature, tellurides of palladium are most widely spread. Metal tellurides are applicable mainly in optical devices such as solar cells, but also in thermoelectrical devices. Density functional theory study is used to investigate structural stability in terms of heats of formation, elastic constants and phonon dispersion for the PdTe, PdTe2 and Pd3 Te2 structures. In order to investigate the mechanical stability, we evaluated their phonon dispersion curves along symmetry direction within the first Brillouin zones. The elastic properties of the PdTe, PdTe2, and Pd3, Te2 satisfied all necessary conditions for mechanical stability. Thus, all the systems are predicted to be mechanically stable.

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Main supervisor (name and email)<br>and his / her institution

Prof. P.E Ngoepe
university of limpopo

Primary author

Mr Phatholo Fredy SELOWA (University of Limpopo)


Prof. Phuti Esrom NGOEPE (University of Limpopo) Mr Samuel Mangwejane (university of limpopo)

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