Ab initio calculation and analysis of the properties of digital magnetic heterostructures and diluted magnetic semiconductors of IV and III-V groups

作者：Uspenskii Yu A^*; Kulatov E T

来源：Journal of Magnetism and Magnetic Materials, 2009, 321(7): 931-934.

DOI：10.1016/j.jmmm.2008.11.057

• Digital magnetic heterostructure
• Exchange interaction
• First-principles calculation
• Spintonics

We present the first-principles calculations of digital magnetic heterostructures Si/M, Ge/M, GaAs/M, GaSb/M, GaN/M and GaN/M (50%) with M = Cr, Mn, Fe, and Co. The interaction between magnetic dopants results in a wide spin-polarized two-dimensional band inside the gap. It is found that beginning occupation of the minority-spin band greatly increases the energy of the ferromagnetic ( FM) state and leads, as a rule, to the antiferromagnetic (AFM) spin ordering. This mechanism causes transition to the AFM state, when interaction between magnetic atoms is too strong, and defines the optimum of Curie temperature as a function of transition element concentration in magnetic layers.

• 出版日期2009-4