Ab initio calculation of the electronic structure of Fe and Cr interlayers
The band structure, 'diversity of structure and various band gaps have been calculated using ab initio density functional theory (DFT) for some interlayer structures consisting of Fe and Cr atoms, viz. (a) Fe-Cr, (b) Fe-Fe-Cr-Cr and (c) Fe-Fe- Cr-Cr-Fe-Fe-Cr-Cr. Calculations have been done...
| Main Authors: | , , |
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| Format: | Conference or Workshop Item |
| Language: | English |
| Published: |
2010
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| Subjects: | |
| Online Access: | http://eprints.um.edu.my/11259/1/Ab_initio_calculation_of_the_electronic_structure_of_Fe_and_Cr_inter_layers.pdf |