Arwa Albar and Udo Schwingenschlogl
King Abdullah University of Science and Technology, Saudi Arabia
Posters & Accepted Abstracts: J Material Sci Eng
First principles calculations, based on density functional theory, are used to investigate the structural and electronic properties of the epitaxial MgO(100)/SnO2(110) interface of wide band gap insulators. Depending on the interface termination, nonmagnetic metallic and half-metallic interface states are observed. The formation of these states is explained by a polar catastrophe model for nonpolar├ó┬?┬?polar interfaces. Strong lattice distortions and buckling develop in SnO2, which influence the interface properties as the charge discontinuity is partially screened. Already a single unit cell of SnO2 is sufficient to drive the polar catastrophe scenario.
In April 2017, Dr. Arwa Albar earned her Ph.D degree in Material Science and Engineering from King Abdullah University of Science and Technology, Saudi Arabia. Her research is based on Density functional theory calculation that is used to investigate the electronic, magnetic, and structural properties of oxide materials under defects and interfaces. She is also a staff in the Physics Department of King AbdulAziz University since 2004.
Email: [email protected]
Journal of Material Sciences & Engineering received 2394 citations as per Google Scholar report