Despite theoretical predictions of chromium dioxide being a half-metallic ferromagnet. Devices based on chromium dioxide have performed poorly. One major issue is the influence of defects on the electronic structure and magnetic properties as well as variations of these properties at surfaces and interfaces. The primary objective of this research is to model point defects in bulk chromium dioxide and at the surface. Here, hybrid density functional theory calculations are used to investigate two point defect candidates: oxygen vacancies and chromium interstitials. The results of this research will be discussed and compared with Yates surface data of chromium dioxide.
Journal: TechConnect Briefs
Volume: 2, Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Published: June 21, 2010
Pages: 613 - 616
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topics: Informatics, Modeling & Simulation