Article ID Journal Published Year Pages File Type
5383811 Chemical Physics Letters 2011 6 Pages PDF
Abstract
► An optimal DFT method for GaN and ZnO. ► Correct band gap description of bulk GaN and ZnO semiconductors. ► A new localized π-like orbital mechanism for band gap narrowing in GaN/ZnO.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
An optimal density functional theory method for GaN and ZnO
Authors
,