發(fā)布時間：2018-03-29 04:07

  本文選題：GaN納米線　切入點(diǎn)：光電陰極　出處：《南京理工大學(xué)》2017年碩士論文

【摘要】：GaN光電陰極是紫外光電倍增管、紫外探測器等光電子器件的重要組成部分,在公安、航天、高能物理領(lǐng)域等領(lǐng)域有著廣闊的應(yīng)用前景。目前對GaN納米線在光電陰極材料應(yīng)用方面的研究還未見報道,亟待進(jìn)一步的探索。在本文中,基于密度泛函理論(DFT)的第一性原理計算方法被用于從微觀層面分析研究GaN納米線的電子結(jié)構(gòu)和光學(xué)性質(zhì),為GaN納米線光電陰極制備工藝提供了理論指導(dǎo)和基礎(chǔ)。本文主要內(nèi)容分為四個部分。第一部分介紹了第一性原理的理論基礎(chǔ)和計算方法,對CASTEP軟件包也做了簡單介紹。第二部分介紹了本征GaN納米線光電陰極方面的研究,包括對其相關(guān)計算的收斂性測試、不同截面尺寸GaN納米線光電陰極的性質(zhì)研究和表面H原子鈍化對GaN納米線光電陰極的影響。選取了較大尺寸并經(jīng)過H鈍化處理的GaN納米線光電陰極作為計算的合理模型。第三部分介紹了對p型摻雜GaN納米線光電陰極的相關(guān)研究,確定了 Mg原子為合適的摻雜元素,并分析了不同位置Mg摻雜對納米線光電陰極性質(zhì)的影響,以此指導(dǎo)p型GaN納米線光電陰極的制備。第四部分介紹了 N空位缺陷對本征GaN納米線光電陰極和Mg摻雜GaN納米線光電陰極的作用,結(jié)果表明N空位的存在是制備高質(zhì)量GaN納米線光電陰極的重要阻礙,是下階段實(shí)驗(yàn)研究工作的一大重點(diǎn)。
[Abstract]:GaN photocathode is an important part of photoelectron devices such as ultraviolet photomultiplier tube, ultraviolet detector and so on. The research on the application of GaN nanowires in photocathode materials has not been reported, and it needs further exploration. The first-principle calculation method based on density functional theory (DFT) is used to analyze the electronic structure and optical properties of GaN nanowires at the microcosmic level. The main contents of this paper are divided into four parts. The first part introduces the theoretical basis and calculation method of the first principle. In the second part, the research on intrinsic GaN nanowire photocathode is introduced, including the convergence test of the related calculation. The properties of GaN nanowire photocathodes with different cross-sectional sizes and the effect of surface H atom passivation on GaN nanowire photocathodes are studied. The GaN nanowire photocathodes with larger size and H passivation treatment are selected as the calculated combination. The third part introduces the research of p-doped GaN nanowire photocathode. The effect of mg doping on the photocathode properties of nanowires was analyzed. In order to guide the preparation of p-type GaN nanowire photocathodes, the effects of N-vacancy defects on intrinsic GaN nanowire photocathodes and mg doped GaN nanowire photocathodes are introduced in the fourth part. The results show that the existence of N vacancy is an important hindrance to the preparation of high quality GaN nanowire photocathodes.
【學(xué)位授予單位】：南京理工大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2017
【分類號】：O462;TN304

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本文編號：1679471