7-11 July 2014
Africa/Johannesburg timezone
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Structural and Electronic Properties of Fe dopped Technetium Sulphide

Presented by Mr. Mahmud ABDULSALAM on 10 Jul 2014 from 14:40 to 15:00
Type: Oral Presentation
Session: Theoretical
Track: Track G - Theoretical and Computational Physics

Abstract

In this research Density Functional Theory is used to study the effect of Fe doping on the structural and electronic properties of TcS$_2$ in the aP1 structure. The layered nature of the system requires the inclusion of long range van der Waals dispersion forces to yield reasonable results, comparable to experiment. Substitutional doping of Fe at the Tc sites. Fe doping can change the electronic structure of the system from semiconductor to metal.

Award

Yes

Level

PhD

Supervisor

Professor Daniel Joubert Daniel.Joubert2@wits.ac.za

Paper

Yes

Place

Room: D Les 104


Primary authors

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