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

Table 3

𝐸_ads and work functions of Cs on GaN (0001) intact, Ga vacancy defect, and N vacancy defect surfaces.

Adsorption site	Intact surface		Ga vacancy defect		N vacancy defect
	𝐸ads/eV	Work function/eV	𝐸ads/eV	Work function/eV	𝐸ads/eV	Work function/eV
H3	−2.02	2.16	−1.15	2.46		Misconvergence
T1	−1.89	2.30	−1.89	2.28	−1.55	2.30
T4	−1.96	2.37	−0.80	2.28	−1.48	2.23
BGa	−1.98	2.36	−0.84	2.22	−1.57	2.20
BN	−2.04	2.36	−0.84	2.33	−1.54	2.12
Freedom	−2.04	2.42	−1.99	2.67	−1.53	2.19