Theoretical Investigation on Structural and Electronic Properties of InN Growth on Ce-Stabilized Zirconia (111) Substrates

Table 2

Adsorption energy (in eV) of In and N atoms on Ce-segregation-free CeSZ (111) surfaces.

Adatom	Adsorption site
	Top Ou	Top Od	Top Ce	Top Zr	Bridge Zr-Ou	Bridge Zr-Od	Bridge Ce-Ou	Bridge Ce-Od	Bridge Ou-Od	Hollow Zr-Ou-Od	Hollow Ce-Ou-Od
In	1.86	1.49	1.17	1.61	1.61	1.41	1.54	1.51	1.82	1.75	1.48
N	3.32	1.49	1.12	1.56	3.78	2.69	3.40	1.79	3.61	3.76	3.37