1-8 July 2022
Virtual Conference
Africa/Johannesburg timezone
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First Principles Study of Nitrogen Dopant-Vacancy Complexes in Graphane

Not scheduled
2h 30m
Zoom Platform (Virtual Conference)

Zoom Platform

Virtual Conference

Poster Presentation Track G - Theoretical and Computational Physics Poster Session

Speaker

Mr Hezekia Mapingire (University of Pretoria )

Description

We use first principles calculations to characterize four types of dopant-vacancy point defects in the two dimensional material graphane for the purpose of quantum computing. The point defects we consider in this contribution are NcHv, NcCHv, NchHv, NchCHv and their various charge states. We derived the formation energies and other electronic properties of these point defects. Analysis of the defect level diagrams shows that NcHv is a deep point defect that can be potentially utilised as a qubit like the prototype NV centre in diamond.

Level for award;(Hons, MSc, PhD, N/A)?

PhD

Apply to be considered for a student ; award (Yes / No)? Yes

Primary authors

Mr Hezekia Mapingire (University of Pretoria ) Dr R. E Mapasha (University of Pretoria )

Presentation Materials

There are no materials yet.