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中文摘要：
利用简单的化学气相沉积法,首次以固态三聚氰胺（C3H6N6）为N掺杂剂,与Si/SiO2粉体混合,在1 250℃下保温25min,制备出N掺杂SiC纳米线。采用XRD、SEM、元素分析等测试手段对产物的物相和微观形貌进行了表征,并对其场发射性能进行了研究,采用基于密度泛函理论（DFT）的第一性原理对N掺杂前后SiC纳米线的电子结构进行了计算。结果表明：掺N后的纳米线弯曲程度明显变大,场发射性能显著提高,开启电场值和阈值电场值由原来的3.5V.μm-1和6.6V.μm-1分别降低为2.6V.μm-1和5.5V.μm-1。此外,第一性原理计算表明,掺N后的纳米线禁带宽度明显变窄,使电子从价带向导带过渡时需要更少的能量,从理论上解释了N掺杂SiC纳米线场发射性能增强的原因。
英文摘要：
N-doped SiC nanowires were firstly preparated by chemical vapor reaction method,which used solid melamine（C3H6N6）as the N dopant,mixing with Si/SiO2 powders hearting 25min at the temperature of 1 250℃.The crystal structure and morphology of the products were characterized by X-ray diffraction（XRD）、scanning electron microscopy（SEM）and element analysis.The field emission property of the products was also tested,and the electronic structures of un-doped and N-doped SiC nanowires were calculated via first-principle on the basis of the density functional theory（DFT）.Results show that the bending degree of the N-doped SiC nanowires is bigger and it exhibits enhanced field emission activity comparing with the un-doped SiC nanowires,the turn-on field decreased from 3.5V.μm-1 to 2.6V.μm-1 and threshold field decreased from 6.6V.μm-1 to 5.5V.μm-1.The theoretical results indicate that calculated band gap of N-doped nanowires is narrower than that of un-doped samples and the transition of an electron from valence band to conduction band needs less energy which explained the reason of enhancement of field emission activity in theory.
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