Title :
A first principles study of chalcopyrite (AlGaMn)P2 alloys
Author :
Kang, B. ; Chae, K. ; Kim, K. ; Yu, S.
Author_Institution :
Dept. of Nano Sci. & Mech. Eng., Konkuk Univ., Chungju, South Korea
Abstract :
In this paper, we have studied by using first-principle calculations for the electronic and magnetic properties of (Al1-yMny)GaP2 and Al(Ga1-yMny)P2 with y=0.03125, 0.0625, 0.09375, and 0.125 DMS . In Mn-doped AlGaP2 chalcopyrite semiconductor, we have observed ferromagnetic ordering. The ferromagnetic Mn-doped AlGaP2 chalcopyrite is the most energetically favorable one. Total energy calculations predicted that the ternary compound AlGaP2 is indirect semiconductor with band gaps of 0.75eV. The spin polarized Al(GaMn)P2 state (Al-rich system) is more stable than that of (AlMn)GaP2 state (Ga-rich system) with the magnetic moment of 3.8μB/Mn. The Mn-doped AlGaP2 yields strong half-metallic ground states. We are noted that this chalcopyrite and related materials can replace the Mn-doped III-V systems and open the way to room temperature spintronic devices.
Keywords :
III-V semiconductors; ab initio calculations; aluminium compounds; energy gap; ferromagnetic materials; gallium compounds; magnetic moments; manganese compounds; semimagnetic semiconductors; total energy; (Al1-yMny)GaP2; Al(Ga1-yMny)P2; Al-rich system; Ga-rich system; Mn-doped III-V systems; Mn-doped chalcopyrite semiconductor; band gaps; chalcopyrite alloys; electronic properties; ferromagnetic Mn-doped chalcopyrite; ferromagnetic ordering; first-principle calculations; half-metallic ground states; indirect semiconductor; magnetic moment; spin polarized state; spintronic devices; temperature 312 K; temperature 320 K; ternary compound; total energy calculations; Ions; Magnetic semiconductors; Manganese; Mechanical engineering; Nanotechnology; Physics;
Conference_Titel :
Magnetics Conference (INTERMAG), 2015 IEEE
Conference_Location :
Beijing
Print_ISBN :
978-1-4799-7321-7
DOI :
10.1109/INTMAG.2015.7157749
