Article ID Journal Published Year Pages File Type
5385180 Chemical Physics Letters 2010 4 Pages PDF
Abstract
► In this manuscript the electronic and magnetic properties of the ferromagnetic and antiferromagnetic Fe-doped chalcopyrite are analyzed. ► LDA, GGA, LDA + U and GGA + U first principles GGA/LDA and GGA/LDA + U are reported and compared. ► The results agree very well with the experimental results.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
,