Half-metallic Ferromagnetism for Mn-doped Chalcopyrite (Al,Ga)As Semiconductor

Chalcopyrite (Al,Ga)As 반도체와 Mn의 반금속 강자성

  • Kang, B.S. (Nanotechnology Research Center, Nano-science & Mechanical Engineering, Konkuk University) ;
  • Song, K.M. (Nanotechnology Research Center, Nano-science & Mechanical Engineering, Konkuk University)
  • 강병섭 (건국대학교 글로컬 캠퍼스 과학기술대학 나노전자기계공학) ;
  • 송기문 (건국대학교 글로컬 캠퍼스 과학기술대학 나노전자기계공학)
  • Received : 2020.08.26
  • Accepted : 2020.09.11
  • Published : 2020.09.30


We studied the electronic and magnetic properties for the Mn-doped chalcopyrite (CH) AlAs, GaAs, and AlGaAs2 semiconductor by using the first-principles calculations. The chalcopyrite AlGaP2, AlGaAsP, and AlGaAs2 compounds have a semiconductor characters with a small band-gap. The interaction between Mn-3d and As-4p states at the Fermi level dominate rather than the other states. The ferromagnetic ordering of dopant Mn with high magnetic moment is induced due to the Mn(3d)-As(4p) strong coupling, which is attributed by the partially filled As-4p bands. The holes are mediated with keeping their 3d-electrons, therefore the ferromagnetic state is stabilized by this double-exchange mechanism. We noted that the ferromagnetic state with high magnetic moment is originated from the hybridized As(4p)-Mn(3d)-As(4p) interaction mediated by the holes-carrier.


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