supported by the National Natural Science Foundation of China(No.61376106)
Based on density-functional theory (DFT), the effects of metal dopants in HfO2-based RRAM are studied by the Vienna ab initio simulation package (VASP), Metal dopants are classified into two types (interstitial a...
supported by the National Youth Science Foundation of China(No.61006064)
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...