4원 합금 AlGaAs2:Mn의 강자성

강병섭; Byung-Sub Kang

Korean Journal of Materials Research, Vol.30, No.12, 666-671, December, 2020

DOI10.3740/MRSK.2020.30.12.666 Export Citation

4원 합금 AlGaAs2:Mn의 강자성

Ferromagnetism of Chalcopyrite AlGaAs2:Mn Quaternary Alloys

강병섭^†

건국대학교 나노기술연구소, 나노전자기계공학과

Byung-Sub Kang^†

Nanotechnology Research Center, Nanoscience & Mechanical Engineering, Konkuk University, Chungju 27478, Republic of Korea

E-mail:

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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[4] Sato K, Katayama-Yoshida H, Phys. Status Solidi B, 229, 673 (2002)

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[8] Choi S, Cha GB, Hong SC, Cho S, Kim Y, Ketterson JB, Jeong SY, Yi GC, Solid State Commun., 122, 165 (2002)

[9] Overberg ME, Thaler GT, Frazier RM, et al., J. Vac. Sci. Tech. B, 21, 2093 (2003)

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