SAIP2010

First principles studies of electronic and structural properties of defects in boronitrene

Not scheduled

CSIR Convention Centre

Presentation Track A - Condensed Matter Physics and Material Science

Speaker

Mr Bongani Ngwenya (University of Pretoria)

Description

We study the impact of C substitutional atoms, B and N atom swapping and vacancies, and some adatoms on electronic and structural properties of boronitrene (2D boron nitride) using the VASP code. The generalized gradient approximation is the initially used exchange correlation functional. Our results show good agreement with literature.