GONZALEZ, ESTELA A.; JASEN, PAULA V.; LUNA, CARLA R.; … - In: Surface Review and Letters (SRL) 14 (2007) 01, pp. 79-86
We have modeled the (100) surface of β-Ga2O3 with a clear-cut optimization from ab initio calculations. The adsorption geometry of one hydrogen atom on this surface was determined by a semi-empirical quantum chemistry method. H is found bonded to a tetrahedral Ga atom and no bond with surface...