Half-Metallicity of the Fe-Based Single Atomic Chains in CoFeTiAl Quaternary Semiconductor
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In this work, the Fe-based single atomic chains are designed in the semiconductive CoFeTiAl quaternary Heusler matrix by substituting Ti, Al, or Ti-Al with Fe in  crystallographic direction. We have investigated the electronic structures and magnetic characteristics of the Fe-based supercells by using the first-principles calculations. Our results show that all the three kinds of single atomic chains Fe-Al, Fe-Ti, and Fe-Fe atomic chains show a half-metallicity with 100 % spin polarization. A conductive nanopillar is formed and dilutedly distributed in CoFeTiAl matrix. The width of the nanopillar is about half of the lattice parameter, and the length of it will be adjustable. It would be an ideal method to design the new direct-current-magnetic memory device.
KeywordsMagnetic memory Supercell Spin-polarized nanopillar Half-metallicity
This work was supported in part by the National Nature Science Foundations of China under grant nos. 11204209, 60876035, and 61334005, in part by the Nature Science Foundations of Tianjin City (grant no. 13JCZDJC32800 and 6JCYBJC17200), and in part by the Seed Foundation of Tianjin University.
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