Article ID Journal Published Year Pages File Type
1561960 Computational Materials Science 2012 6 Pages PDF
Abstract
► Assesses reliability of Tran-Blaha potential for describing bulk germanium (Ge). ► Shows this new approach gives results as good as state-of-the-art GW calculations. ► Confirms potential of this approach for studying Ge surfaces and nanostructures. ► Opens the way for fast and accurate calculations of the properties of bulk Ge. ► Provides impetus for applications to other systems needing accurate bandstructures.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
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