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本文用X射线径向分布函数法研究了室温到1000℃不同退火条件下的纳米非晶氮化硅样品的微结构和键合特征。观察到占庞大体积百分数界面不是“gas-like”结构,而是与非晶纳米粒子不同的新的短程序结构。Si—N键长和最近邻原子配位数(CN)均比传统Si_3N_4小,并存在大量的Si悬键和不饱和键。纳米氮化硅与传统Si_3N_4饱和共价键不同,是含有大量非饱和键和悬键的非典型共价键结构。由于键配位的不饱和特征,纳米非晶氮化硅的分子式应写作Si_(3-x)N_(4-y)。纳米非晶氮化硅出现强极性与非饱和键和悬键有密切的关系。
In this paper, the microstructure and bonding characteristics of amorphous silicon nitride samples under different annealing conditions from room temperature to 1000 ℃ were studied by X-ray radial distribution function method. It is observed that the large volumetric percentage interface is not a “gas-like” structure, but a new short structure different from amorphous nanoparticles. Si-N bond length and the nearest neighbor atomic coordination number (CN) are smaller than the traditional Si_3N_4, and there are a large number of Si dangling bonds and unsaturated bonds. Unlike the traditional Si_3N_4 saturated covalent bond, nano-Si3N4 is an atypical covalent bond structure containing a large number of unsaturated bonds and dangling bonds. Due to the unsaturated character of bond coordination, the formula of nano-amorphous silicon nitride should be written as Si_ (3-x) N_ (4-y). Nano-amorphous silicon nitride with strong polarity and unsaturated bonds and dangling has a close relationship.