The formation, structural and electronic properties of silicene oxides（SOs） that result from the oxidation of silicene on Ag（111） surface have been investigated in the framework of density functional theory（DFT）...The formation, structural and electronic properties of silicene oxides（SOs） that result from the oxidation of silicene on Ag（111） surface have been investigated in the framework of density functional theory（DFT）.It is found that the honeycomb lattice of silicene on the Ag（111） surface changes after the oxidation. SOs are strongly hybridized with the Ag（111） surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag（111） surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag（111） surface, however, they may become semiconductors.展开更多
基金supported by the National Basic Research Program of China (Grant No. 2013CB632101)the National Natural Science Foundation of China (Grant Nos. 61222404 and 61474097)the Program of the Ministry of Education of China for Innovative Research Teams in Universities (Grant No. IRT13R54)
文摘The formation, structural and electronic properties of silicene oxides（SOs） that result from the oxidation of silicene on Ag（111） surface have been investigated in the framework of density functional theory（DFT）.It is found that the honeycomb lattice of silicene on the Ag（111） surface changes after the oxidation. SOs are strongly hybridized with the Ag（111） surface so that they possess metallic band structures. Charge accumulation between SOs and the Ag（111） surface indicates strong chemical bonding, which dramatically affects the electronic properties of SOs. When SOs are peeled off the Ag（111） surface, however, they may become semiconductors.
