Influence of Vacancy Defect on Surface Feature and Adsorption of Cs on GaN(0001) Surface

Table 1

Charges of atoms in the outmost layer of intact, Ga vacancy defect, and N vacancy defect surfaces.

Surface	Atoms and its charges/e
	Ga1	Ga2	Ga3	Ga4	N1	N2	N3	N4
Intact	0.75	0.75	0.75	0.75	−0.98	−0.98	−0.98	−0.98
Ga vacancy defect		0.88	0.88	0.88	−1.04	−0.97	−0.98	−0.97
N vacancy defect	0.79	0.35	0.35	0.27		−0.94	−0.94	−0.95