摘要
根据晶态和非晶态氮化硅原子的相关性结构特征，构造出了正四面体Ｎ结构和平面三角形Ｓｉ结构相互嵌套的基本结构单元，模拟出了纳米量级非晶氮化硅的结构模型，其主要结构参数与实验吻合，这种模型可进一步用于非晶和纳米非晶氮化硅材料的结构和性能研究之中．
According to the structural characteristics of atomic coherence in crystal and amorphous Si3N4, a primitive structural unit is constructed with one tegular qnadrahedron N strurmre and a pla nar triangle Si structure, and a model of nanometer- sized scale amorphous Si3N4 is simulated whose structural parameters are in good agreement with experimental work, which will be ed in the future boy of structural and physical properties of amorphous Si3N4 and nanometer-sized amorphous Si3N4.
基金
国家科学基金
关键词
纳米材料
非晶氮化硅
氮化硅
nanometer-sized materials
amorphous Si_3N_4
structural model simulation
