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 i...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 LiNbO3 thin films compared to the Si（100） surface, and the optimal deposition temperature is around 873 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
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 LiNbO3 thin films compared to the Si（100） surface, and the optimal deposition temperature is around 873 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.
