Fig. 2: First-principle calculations.
From: Quantum engineering of non-equilibrium efficient p-doping in ultra-wide band-gap nitrides
a Spin-down PDOS of the total and different N atoms in AlN:GaN QDs system. Because the spin-up PDOS distribution of un-doped systems are image symmetrical to the spin-down PDOS and the Mg doping mainly contribute to the spin-down PDOS, only spin-down PDOS distributions are displayed for simplicity. b Ea of Mg-doped AlN:GaN QDs system at different doping positions. The left inset illustrates the Ea variation with doping position and the right insets are the wavefunctions of the orbitals of Mg dopant near the VBM (spin-down) at positions 3 and 4
