Atomistic Simulation of Intrinsic Defects and Trivalent and Tetravalent Ion Doping in Hydroxyapatite

Table 8

Solution energies (eV) for different dopants in HAP.

Mechanisms		Dopant
		Mn^4+	Cr^4+
Equation (7)		6.71	6.96
		7.97	9.35
Equation (8)		5.39	5.64
		6.65	8.02
Equation (9)		11.22	11.58
		13.02	14.99
Equation (10)		4.95	5.34
		5.51	6.71
Equation (11)		4.28	5.75
Equation (12)		3.87	5.12
Equation (13)		9.41	11.06
		5.35	7.03