A First Principles Study of Chalcopyrite Mn-doped AlGaP2 Compounds

Please use this identifier to cite or link to this item: http://essuir.sumdu.edu.ua/handle/123456789/42920

Or use following links to share this resource in social networks: Recommend this item

Title	A First Principles Study of Chalcopyrite Mn-doped AlGaP2 Compounds
Authors	Kang, Byung-Sub Song, Kie-Moon
ORCID
Keywords	Chalcopyrite AlGaP2 semiconductor Band-structure Ferromagnetism First-principles
Type	Article
Date of Issue	2015
URI	http://essuir.sumdu.edu.ua/handle/123456789/42920
Publisher	Sumy State University
License
Citation	Byung-Sub Kang, Kie-Moon Song, J. Nano- Electron. Phys. 7 No 3, 03011 (2015)
Abstract	We studied the electronic and magnetic properties for the Mn-doped chalcopyrite AlGaP2 semiconductor by using the first-principles calculations. The Mn-doped AlGaP2 yields strong half-metallic ground states. The ferromagnetic state is the most energetically favorable one. 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 ordering of dopant Mn with high magnetic moment is originated from the P(3p)-Mn(3d)-P(3p) hybridization, which is attributed by the partially filled P-3p bands. The high magnetic moment of Mn by P vacancy is produced by 4.2 μB/Mn.
Appears in Collections:	Наукові видання (ЕлІТ)