Zinc-Blende GeC Stabilized on GaN (001): An Ab Initio Study

Table 1

Relative adsorption energies (eV) and the incorporation of different Ge and C coverage.

Site	Relative energy	Site	Relative energy
Ge-top	0.069	C-top	0.000
Ge-hcp	0.148	C-hcp	1.073
Ge-fcc	0.104	C-fcc	1.022
Ge-hcp1	0.000	C-hcp1	0.892
Ge-1^st layer/Ga-top	0.118	C-1^st layer/Ga-top	0.285
Ge-1^st layer/Ga-hcp	0.136	C-1^st layer/Ga-hcp	0.078
Ge-1^st layer/Ga-fcc	0.128	C-1^st layer/Ga-fcc	0.987
Ge-1^st layer/Ga-hcp1	0.070	C-1^st layer/Ga-hcp1	0.445

Zero energy (bold numbers) is the energy reference in each case.