Unambiguous Identification of Carbon Location on the N Site in Semi-insulating GaN.

Carbon (C) doping is essential for producing semi-insulating GaN for power electronics. However, to date the nature of C doped GaN, especially the lattice site occupation, is not yet well understood. In this work, we clarify the lattice site of C in GaN using polarized Fourier-transform infrared and Raman spectroscopies, in combination with first-principles calculations. Two local vibrational modes (LVMs) at 766 and 774  cm^{-1} in C doped GaN are observed. The 766  cm^{-1} mode is assigned to the nondegenerate A_{1} mode vibrating along the c axis, whereas the 774  cm^{-1} mode is ascribed to the doubly degenerate E mode confined in the plane perpendicular to the c axis. The two LVMs are identified to originate from isolated C_{N}^{-} with local C_{3v} symmetry. Experimental data and calculations are in outstanding agreement both for the positions and the intensity ratios of the LVMs. We thus provide unambiguous evidence of the substitutional C atoms occupying the N site with a -1 charge state in GaN and therefore bring essential information to a long-standing controversy.