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Title | Ferromagnetism in Mn-doped Chalcopyrite AlGaP2 Semiconductor |
Authors |
Kang, Byung-Sub
Song, Kie-Moon Lee, Haeng-Ki |
ORCID | |
Keywords |
Chalcopyrite semiconductor Band-structure Ferromagnetism First-principles |
Type | Article |
Date of Issue | 2016 |
URI | http://essuir.sumdu.edu.ua/handle/123456789/45473 |
Publisher | Sumy State University |
License | Copyright not evaluated |
Citation | Byung-Sub Kang, Kie-Moon Song, Haeng-Ki Lee, J. Nano- Electron. Phys. 8 No 2, 02011 (2016) |
Abstract |
The electronic property and the magnetism of AlGaMnP2 compound by 3.125 %, 6.25 %, and 9.375 % Mn concentrations were investigated using the first-principles calculations. The Mn-doped AlGaP2 chalcopyrite with or without defect of Al, Ga, or P atom yields a strong half-metallic ground state. The ferromagnetic state is the most energetically favorable one. The spin-polarization of Mn dopant is stable with a magnetic moment close to 4μB due to intra-atomic exchange coupling. The states of host Al, Ga, or P atoms at the Fermi level are mainly a P-3p character, which mediates a strong interaction between the Mn-3d and P-3p states. The ferromagnetic state with high magnetic moment is originated from the hybridized P(3p)-Mn(3d)-P(3p) interaction formed through the p-d coupling without the defects. It is noted that the ferromagnetism arises from two distinguishing characteristics by polarons and by holes-mediated exchange-coupling. |
Appears in Collections: |
Журнал нано- та електронної фізики (Journal of nano- and electronic physics) |
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Kang_Song_Lee.pdf | 786.92 kB | Adobe PDF | 1231257964 |
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