Table 2. Computed principal values (in mT) of the hyperfine tensors of V_N⁰ in w-AlN at the PBE level of theory, compared to previous theoretical and experimental results¹⁸. The four nearest ²⁷Al (I = 5/2, 100% natural abundance) of V_N⁰ shown in Fig. 1 are considered. The calculated principal values include core polarization (CP) effects, also reported in the table.

Center	Atom		Axx(mT)	Ayy(mT)	Azz(mT)	CP (mT)
VN0	Al1	This work	6.0	6.0	7.5	−1.2
		Theory18	6.4	6.5	8.0
	Al2	This work	6.4	6.4	7.7	−1.1
		Theory18	6.7	6.7	8.2
	Al3 Al4	This work	5.3	5.3	6.9	−1.2
		Theory18	5.9	6.0	7.5–7.6
EI-1	Al1-4	Experiment18	~6.0	~6.0	~7.2