Article ID Journal Published Year Pages File Type
1615851 Journal of Alloys and Compounds 2012 6 Pages PDF
Abstract
► Reproduce of band gap for XSi(X = Fe,Ru,Os) with gap of ∼10−1 eV. ► Using the mBJ + LDA first principles in comparison with GGA and LDA. ► Theoretical optical conductivity is in agreement with the measurement.
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Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
Preview
The electronic structure and optical properties of XSi(X = Fe,Ru,Os): A first principles investigation within the modified Becke-Johnson exchange potential plus LDA
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