Cu-doped GaN: A dilute magnetic semiconductor from first-principles study

• DOI: 10.1063/1.2335773
• Publication Date: 2006-08-09T00:02:07Z
• Authors: R. Q. Wu; G. W. Peng; L. Liu; Y. P. Feng; Z. G. Huang; Q. Y. Wu
• Keywords: Magnetic semiconductor; Wide-bandgap semiconductor

First-principles calculations based on spin density functional theory are performed to study the spin-resolved electronic properties of GaN doped with 6.25% Cu. The Cu dopants found polarized and calculated band structures suggest a 100% polarization conduction carriers. Cu-doped favors ferromagnetic ground state which can be explained in terms p-d hybridization mechanism, Curie temperature around 350K expected. These results that is promising dilute magnetic semiconductor free precipitates may find applications field spintronics.