Ab initio calculation of the electronic structure of Fe and Cr interlayers

Ahmad Zabidi, N. and Abu Kassim, H. and Shrivastava, K.N. (2010) Ab initio calculation of the electronic structure of Fe and Cr interlayers. In: Meeting of the American Physical Society, 15-19 Mac 2010, Portland, USA. (Submitted)

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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 for spinpolarized as well as unpolarized orbitals. The spins are shown to affect the band gaps and resistivity considerably. As a test, We also obtained the band structure of Fe and Cr bulk unit cells. An effort is made to discuss the resistivity as a function of spin.

Item Type: Conference or Workshop Item (Paper)
Uncontrolled Keywords: Fe-Cr interlayers; band structure; magnetoresistance
Subjects: Q Science > QC Physics
Divisions: Faculty of Science > Department of Physics
Depositing User: Mr. Mohd Samsul Ismail
Date Deposited: 18 Dec 2014 03:07
Last Modified: 18 Dec 2014 03:07
URI: http://eprints.um.edu.my/id/eprint/11259

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