摘要
Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an unfavorable factor for energy saving. By using molecular dynamics simulations, we show that the increase of coercive and saturated electric fields is due to the difficulty to switch local polarization near an oxygen vacancy, and so that a ferroelectric device has to sustain the rising consumption of energy. The simulation results also uncover how oxygen vacancies influence ferroelectric properties.
Oxygen vacancy, a kind of native point defects in ferroelectric ceramics, usually causes an increase of the dielectric loss. Based on experimental observations, it is believed that all of the oxygen vacancies are an unfavorable factor for energy saving. By using molecular dynamics simulations, we show that the increase of coercive and saturated electric fields is due to the dif- ficulty to switch local polarization near an oxygen vacancy, and so that a ferroelectric device has to sustain the rising con- sumption of energy. The simulation results also uncover how oxygen vacancies influence ferroelectric properties.
基金
the National Natural Science Foundation of China(Grant Nos.11172024 and 11232013)
the National Key Basic Research Program of China(Grant No.2012CB937500)
the Research Grant Council of the Hong Kong Special Administrative Region,China(Grant No.9042201(City U 11211015))
resources provided by the Pawsey Supercomputing Centre with funding from the Australian Government and the Government of Western Australia
the LNMGrid of the State Key Laboratory of Nonlinear Mechanics and the Sc Grid of Supercomputing Center
Computer Network Information Center of the Chinese Academy of Sciences
