Magnetic behavior of Mn-doped GaN (1(1)over-bar00) film from first-principles calculations

作者：Huang GuiQin^*; Wang JiXia

来源：Journal of Applied Physics, 2012, 111(4): 043907.

DOI：10.1063/1.3685901

Using first principles calculations based on spin-polarized density functional theory, the magnetic behavior of Mn-doped GaN (1 (1) over bar 00) film is studied. The doping Mn atoms have an attractive pair interaction. Our results give the ground state with antiferromagnetic coupling for Mn-doped GaN (1 (1) over bar 00) film when the nearest neighbor Ga atoms on the surface layer are replaced by Mn atoms, which is contrary to the ferromagnetic coupling when Mn is doped in the bulk GaN. However, in-plane tension and hole doping can switch the magnetic ordering from antiferromagnetism to ferromagnetism, which is important for application in semiconductor spintronics.

• 出版日期2012-2-15
• 单位南京师范大学