The molecular dynamic simulation of lithium niobate thin films deposited on silicon substrate is carried out by using the dissipative particle dynamics method. The simulation results show that the Si(111) surface is m...The molecular dynamic simulation of lithium niobate thin films deposited on silicon substrate is carried out by using the dissipative particle dynamics method. The simulation results show that the Si(111) surface is more suitable for the growth of smooth Li Nb O3 thin films compared to the Si(100) surface, and the optimal deposition temperature is around873 K, which is consistent with the atomic force microscope results. In addition, the calculation molecular number is increased to take the electron spins and other molecular details into account.展开更多
The effect of Si (100) surface S passivation was investigated. A thick film with a high roughness value was formed on the Si surface treated by (NH4)2S solution, which was attributed to physical adsorption of S atoms....The effect of Si (100) surface S passivation was investigated. A thick film with a high roughness value was formed on the Si surface treated by (NH4)2S solution, which was attributed to physical adsorption of S atoms. SEM and XPS analyses reveal that Si surface atoms were chemically bonded with S atoms after Si surface treatment in NH4OH and (NH4)2S mixing solution. This induces a more ideal value for the Schottky barrier height compared with a diode treated only by HF solution, indicating that surface states originating from dangling bonds are passivated with S atoms.展开更多
基金supported by the National Basic Research Program of China(Grant No.2011CB922003)the International S&T Cooperation Program of China(Grant No.2013DFG52660)+1 种基金the Taishan Scholar Construction Project Special Fund,Chinathe Fundamental Research Funds for the Central Universities,China(Grant Nos.65030091 and 65010961)
文摘The molecular dynamic simulation of lithium niobate thin films deposited on silicon substrate is carried out by using the dissipative particle dynamics method. The simulation results show that the Si(111) surface is more suitable for the growth of smooth Li Nb O3 thin films compared to the Si(100) surface, and the optimal deposition temperature is around873 K, which is consistent with the atomic force microscope results. In addition, the calculation molecular number is increased to take the electron spins and other molecular details into account.
基金supported by the State Key Development Program for Basic Research of China(No.2006CB302704)
文摘The effect of Si (100) surface S passivation was investigated. A thick film with a high roughness value was formed on the Si surface treated by (NH4)2S solution, which was attributed to physical adsorption of S atoms. SEM and XPS analyses reveal that Si surface atoms were chemically bonded with S atoms after Si surface treatment in NH4OH and (NH4)2S mixing solution. This induces a more ideal value for the Schottky barrier height compared with a diode treated only by HF solution, indicating that surface states originating from dangling bonds are passivated with S atoms.
