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2020 Vol.30, Issue 12 Preview Page
Ferromagnetism of Chalcopyrite AlGaAs2:Mn Quaternary Alloys

4원 합금 AlGaAs2:Mn의 강자성

Byung-Sub Kang†
강 병섭†
Nanotechnology Research Center, Nanoscience & Mechanical Engineering, Konkuk University, Chungju 27478, Republic of Korea
건국대학교 나노기술연구소, 나노전자기계공학과
†Corresponding author E-Mail : kangbs@kku.ac.kr (B. S. Kang, Konkuk Univ.)
December 2020. pp. 666-671
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Abstract

The electronic structure and magnetic properties of chalcopyrite (CH) AlGaAs2 with dopant Mn at 3.125 and 6.25 % concentrations are investigated using first-principles calculations. The CH AlGaAs2 alloy is a p-type semiconductor with a small band-gap. The AlGaAs2:Mn shows that the ferromagnetic (FM) state is the most energetically favorable one. The Mn-doped AlGaAs2 exhibits FM and strong half-metallic ground states.The spin polarized Al(Ga,Mn)As2 state (Al-rich system) is more stable than the (Al,Mn)GaAs2 state (Ga-rich system), which has a magnetic moment of 3.82mB/Mn. The interaction between Mn-3d and As-4p states at the Fermi level dominates the other states.The states at the Fermi level are mainlyAs-4p electrons, which mediate strong interaction between the Mn-3d and As-4p states. It is noticeable that the FM ordering of dopant Mn with high magnetic moment originates from the As(4p)-Mn(3d)-As(4p) hybridization, which is attributed to the partially unfilled As-4pbands. The high FM moment of Mn is due to the double-exchange mechanism mediated by valence-band holes.

Keywords
chalcopyrite AlGaAs2
half-metallic ferromagnetism
first-principles
Curie temperature
minority band-gap
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Information
  • Publisher :Materials Research Society of Korea
  • Publisher(Ko) :한국재료학회
  • Journal Title :Korean Journal of Materials Research
  • Journal Title(Ko) :한국재료학회지
  • Volume : 30
  • No :12
  • Pages :666-671
  • Received Date : 2020-08-26
  • Revised Date : 2020-11-06
  • Accepted Date : 2020-11-06
  • DOI :https://doi.org/10.3740/MRSK.2020.30.12.666
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