Based on first principle calculations, a comprehensive study of substitutional oxygen defects in hexagonal silicon nitride (β-Si3N4) has been carried out. Firstly, it is found that substitutional oxygen is most lik...Based on first principle calculations, a comprehensive study of substitutional oxygen defects in hexagonal silicon nitride (β-Si3N4) has been carried out. Firstly, it is found that substitutional oxygen is most likely to form clusters at three sites in Si3N4 due to the intense attractive interaction between oxygen defects. Then, by using three analytical tools (trap energy, modified Bader analysis and charge density difference), we discuss the trap abilities of the three clusters. The result shows that each kind of cluster at the three specific sites presents very different abilities to trap charge carriers (electrons or holes): two of the three clusters can trap both kinds of charge carriers, confirming their amphoteric property; While the last remaining one is only able to trap hole carriers. Moreover, our studies reveal that the three clusters differ from each other in terms of endurance during the program/erase progress. Taking full account of capturing properties for the three oxygen clusters, including trap ability and endurance, we deem holes rather than electrons to be optimal to act as operational charge carriers for the oxygen defects in Si3N4-based charge trapping memories.展开更多
It is well known that developing well-balanced schemes for the balance laws is useful for reducing numerical errors.In this paper,a well-balanced weighted compact nonlinear scheme(WCNS)is proposed for shallow water eq...It is well known that developing well-balanced schemes for the balance laws is useful for reducing numerical errors.In this paper,a well-balanced weighted compact nonlinear scheme(WCNS)is proposed for shallow water equations in prebalanced forms.The scheme is proved to be well-balanced provided that the source term is treated appropriately as the advection term.Some numerical examples in oneand two-dimensions are also presented to demonstrate the well-balanced property,high order accuracy and good shock capturing capability of the proposed scheme.展开更多
基金supported by the National Youth Science Foundation of China(No.61006064)
文摘Based on first principle calculations, a comprehensive study of substitutional oxygen defects in hexagonal silicon nitride (β-Si3N4) has been carried out. Firstly, it is found that substitutional oxygen is most likely to form clusters at three sites in Si3N4 due to the intense attractive interaction between oxygen defects. Then, by using three analytical tools (trap energy, modified Bader analysis and charge density difference), we discuss the trap abilities of the three clusters. The result shows that each kind of cluster at the three specific sites presents very different abilities to trap charge carriers (electrons or holes): two of the three clusters can trap both kinds of charge carriers, confirming their amphoteric property; While the last remaining one is only able to trap hole carriers. Moreover, our studies reveal that the three clusters differ from each other in terms of endurance during the program/erase progress. Taking full account of capturing properties for the three oxygen clusters, including trap ability and endurance, we deem holes rather than electrons to be optimal to act as operational charge carriers for the oxygen defects in Si3N4-based charge trapping memories.
基金The work is supported by the Basic Research Foundation of the National NumericalWind Tunnel Project(Grant No.NNW2018-ZT4A08)the National Natural Science Foundation(Grant No.11972370)the National Key Project(Grant No.GJXM92579)of China.
文摘It is well known that developing well-balanced schemes for the balance laws is useful for reducing numerical errors.In this paper,a well-balanced weighted compact nonlinear scheme(WCNS)is proposed for shallow water equations in prebalanced forms.The scheme is proved to be well-balanced provided that the source term is treated appropriately as the advection term.Some numerical examples in oneand two-dimensions are also presented to demonstrate the well-balanced property,high order accuracy and good shock capturing capability of the proposed scheme.