Ti-doped AlN potential n-type ferromagnetic semiconductor: Density functional calculations
| Autor: | G.H. Du, J. Zhang, S.W. Fan, K.L. Yao, Z.G. Huang, Guoying Gao |
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| Rok vydání: | 2009 |
| Předmět: |
Materials science
Magnetic moment Condensed matter physics business.industry Magnetism Doping General Physics and Astronomy Metal Condensed Matter::Materials Science Semiconductor Ferromagnetism Condensed Matter::Superconductivity visual_art Atom visual_art.visual_art_medium Condensed Matter::Strongly Correlated Electrons Physical and Theoretical Chemistry Ground state business |
| Zdroj: | Chemical Physics Letters. 482:62-65 |
| ISSN: | 0009-2614 |
| DOI: | 10.1016/j.cplett.2009.09.062 |
| Popis: | The magnetism and the electronic structures of Ti-doped AlN are studied by the first-principles calculations. It is found that Ti prefers to substitute Al site in AlN host, and this doped configuration favors the ferromagnetic ground state. The magnetic moment of the supercell containing single Ti(Al) is 1.00 mu B. Electronic structures suggest magnetic moments mainly come from the doped Ti atom, Ti-doped AlN is n-type ferromagnetic semiconductor and the ferromagnetism can be explained by double-exchange mechanism. For O and Ti co-doped AlN, calculations show O(N) defect would induce magnetic moments increasing and change Ti-doped AlN from semiconductor to metal. Crown Copyright (C) 2009 Published by Elsevier B. V. All rights reserved. |
| Databáze: | OpenAIRE |
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