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The optimized geometries of cubic GaN supercells containing (a) a VGaON center and (b) a VGa + ON center. (c) The formation energies of VGaON centers in different charge states as a function of Fermi energy referenced to the valence band maximum of the host. The slop of each line corresponds to the charge state q of the centers.
Schematic diagrams of the defect level alignment of VGaON q center in different charge states q obtained from first-principles calculations. Spin-majority and spin-minority channel denoted by upward- and downward-pointing arrows are plotted separately. The arrows indicate the electron occupation in these defect levels.
Defect level diagrams for (a) the NV−1 in diamond and (b) neutral VGaON center in 3 C-GaN. The spin-majority (spin-minority) channel is denoted by upward- (downward-) pointing arrows.
Configuration-coordinate diagrams for spin-conserving triplet excitation. Excitation cycles for (a) the NV−1 center in diamond and (b) the neutral VGaON center in 3 C-GaN are shown. Absorption, emission, and zero-phonon-line (ZPL) transitions are indicated, along with their energies.
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