本文關(guān)鍵詞：硅碳納米材料的電子輸運(yùn)及調(diào)控　出處：《山東大學(xué)》2017年博士論文　論文類型：學(xué)位論文

  更多相關(guān)文章： 超細(xì)硅納米線 石墨烯 替代原子 電子輸運(yùn) 非平衡格林函數(shù)

【摘要】：低維納米電子器件的物理性能非常獨(dú)特,近些年來受到了研究人員的高度關(guān)注。電子器件的低能耗、小型化、高敏感性以及高速度,是電子器件開發(fā)利用的發(fā)展趨勢。由于具有有序結(jié)構(gòu)的一維納米結(jié)構(gòu)(線、棒、管、納米帶)或一維半導(dǎo)體納米陣列,有利于載流子定向傳輸,使電子和空穴的分離效率和傳輸效率大大提高,所以成為制備下一代納米光電器件的基礎(chǔ)材料。雖然人們對低維納米電子器件的研究已經(jīng)取得了巨大的成功,但是關(guān)于其性質(zhì)研究和制作工藝等方面還有很多問題沒有徹底解決,所以納米電子器件的發(fā)展和應(yīng)用都還需要大量的研究和改進(jìn)。該論文主要利用分子動力學(xué)模擬和基于擴(kuò)展休克爾理論的非平衡格林函數(shù)的計算方法,研究了扶手椅和之字型碳納米管中封裝硅納米線及摻雜硅納米線結(jié)構(gòu),揭示了碳納米管中的超細(xì)硅納米線的結(jié)構(gòu)變化及摻雜對硅納米線的電子輸運(yùn)性質(zhì)的影響,證實(shí)了硅納米線含有摻雜原子時具有場效應(yīng)晶體管性質(zhì)以及單向?qū)ㄐ?分析了摻雜原子的作用機(jī)理;對門電極電壓的調(diào)控影響的研究,為制作超細(xì)納米線電子器件提供了理論依據(jù),對深入理解硅基低維納米材料的電子輸運(yùn)機(jī)制有重要的理論意義。論文最后分析了水分子吸附石墨烯對石墨烯電導(dǎo)的影響,探討了利用石墨烯探測水分子吸附性的可行性及原理,該結(jié)果對于設(shè)計石墨烯傳感器具有重要的理論指導(dǎo)意義。本論文主要研究內(nèi)容及結(jié)果如下:(1)研究了 6種扶手椅和之字型碳納米管中封裝Si納米線結(jié)構(gòu)的演變,計算并得到了其伏安曲線、電導(dǎo)隨外加偏壓變化曲線及其結(jié)構(gòu)的態(tài)密度圖,討論了銀、銅、金和鋁摻雜Si納米線結(jié)構(gòu)的電子傳輸特性,分析了硅-銀、硅-銅、硅-金和硅-鋁合金納米線的電導(dǎo)譜。發(fā)現(xiàn)隨著碳納米管半徑的增加,納米線的結(jié)構(gòu)從單原子鏈轉(zhuǎn)變成了螺旋形和多重共軸圓柱,Si納米線的結(jié)構(gòu)不會隨著碳納米管手性(從Armchair轉(zhuǎn)換為Zigzag)的改變而發(fā)生變化;硅納米線的結(jié)構(gòu)在傳輸特性上起到了很重要的作用,在(11,11)碳納米管中形成的納米線具有最好的傳導(dǎo)率;硅-銀,硅-銅,硅-金,硅-鋁合金納米線的電導(dǎo)率降低了,即摻雜金屬原子不會提高半導(dǎo)體納米線的電導(dǎo)率。(2)對鍺、氯、氮摻雜硅納米線中的不同結(jié)構(gòu)的電子性質(zhì)進(jìn)行了研究,理論分析了摻雜對納米線電子器件電子輸運(yùn)性質(zhì)的影響。發(fā)現(xiàn)當(dāng)摻雜原子在硅納米線中集聚時,表現(xiàn)出更為劇烈的負(fù)微分電阻效應(yīng);另外還發(fā)現(xiàn)摻雜硅納米線的電流峰值受摻雜原子的種類的影響;摻雜原子的分布對納米線電子器件的電流電壓曲線影響很大。透射率譜很好地解釋了在低的源漏電壓下門電壓對納米線電子器件的調(diào)控作用,說明了門電極能夠有效地控制器件的開關(guān)并對電流有很好的調(diào)控作用。(3)研究了石墨烯吸附水分子對石墨烯帶隙、電導(dǎo)和電子輸運(yùn)性質(zhì)的影響。結(jié)果發(fā)現(xiàn):吸附水分子的石墨烯的電子輸運(yùn)性質(zhì)與水分子有序度之間存在線性關(guān)系,利用該關(guān)系可以用來探測吸附在石墨烯表面的水分子的有序度;當(dāng)水分子有序吸附在石墨烯表面時,該體系具有最低的電導(dǎo),相反,沒有吸附水分子的石墨烯表現(xiàn)出最高的電導(dǎo)。該發(fā)現(xiàn)對于設(shè)計石墨烯傳感器具有重要的理論指導(dǎo)意義。本論文的研究對深入理解低維硅碳納米材料中的電子輸運(yùn)性質(zhì)具有重要意義,為研發(fā)超細(xì)硅碳納米線晶體管、設(shè)計高性能分子器件及設(shè)計開發(fā)單原子層納米器件提供了理論指導(dǎo)。
[Abstract]:The physical properties of low dimensional nano electronic devices is very unique, in recent years has been highly concerned by the researchers. Low power consumption, miniaturization of electronic devices, Gao Min emotional and high speed, is the development trend of electronic devices. Because of one-dimensional nano structure with ordered structure (line, rod, tube, or nanoribbons) one dimensional semiconductor nano array, is conducive to the carrier directional transmission efficiency and transmission efficiency, so that the separation of electrons and holes is greatly improved, so become the foundation material for the preparation of the next generation of nano optoelectronic devices. Although the study of low Wiener meters electronic devices has achieved great success, but the nature of the research and production process etc. there are a lot of problems not solved thoroughly, so the development and application of nano electronic devices will still need a lot of researches and improvements. This paper mainly using molecular dynamics simulation And based on the calculation method of the nonequilibrium Green function extended Huckel theory, study the silicon armchair and zigzag carbon nanotubes doped silicon nanowires and nanowire structure nano, electronic structure and doping changes revealed ultrafine silicon carbon nanotubes nanowires on silicon nanowires's transport properties. Confirmed that the silicon nanowires containing doping atom with field effect transistor properties and unidirectional conductivity, analyzes the mechanism of doping; regulation of affect electrode voltage, for the production of ultrafine nanowire electronic devices provides a theoretical basis for understanding, has an important theoretical significance for electronic Si based low dimensional nano materials the transport mechanism. Finally this paper analyzed the influence of water molecular adsorption on graphene graphene conductance, discusses the feasibility and principle of detecting water molecular adsorption using graphene, the results of In the design of graphene sensor has an important theoretical significance. The main research contents and results of this thesis are as follows: (1) the Si package 6 armchair and zigzag carbon nanotubes in the evolution of nano wire structure, calculation and get its I-V curve, the conductance state density curve with bias and structural change the discussion, silver, copper, gold and aluminum doped Si nano electronic transmission characteristics analysis of the silicon nanowires, silicon - silver, copper, gold and silicon - silicon nanowires Aluminum Alloy spectrum. It is found that with the increase of carbon nanotube radius, the structures of the nanowires from a single atom into helical chain the shape and structure of multiple coaxial cylinders, not Si nanowires with carbon nanotubes (chiral conversion from Armchair to Zigzag) changes; the structure of silicon nanowires plays a very important role in the transmission characteristics, in the form of carbon nanotubes (11,11) in Na Vermicelli has the best conductivity; silicon - silicon - copper, silver, gold silicon, silicon nanowires conductivity Aluminum Alloy reduced, which will not increase the conductivity of metal atom doped semiconductor nanowires. (2) of germanium chloride, the electronic properties of different structure of nitrogen doped silicon nanowires was studied in this paper the research, theoretical analysis of the doped transport properties of nano electronic devices on the line. When the electron doped atom in silicon nanowires were found, showed more severe negative differential resistance; it is also found that the effect of current peak doped silicon nanowires by doping the great influence of current and voltage; the distribution curve of doping atoms of nanowires electronic devices. Transmission spectrum is a good explanation of the leakage voltage regulation of gate voltage on nanowire electronic devices in low source, the gate electrode can effectively control the switch and the current device Good regulation. (3) study on the adsorption of water molecules on the bandgap of graphene graphene, conductivity and electron transport properties of graphene. The results showed that the adsorption of water molecules of the electronic transport properties of water molecules and there is a linear relationship between the degree of order, the relationship can be used to detect the degree of order the water molecules adsorbed on graphene surface; when the water molecular adsorption on graphene surface, the system has the lowest conductivity, on the contrary, graphene not adsorbed water molecules exhibit the highest conductivity. It has important theoretical significance for the design of graphene sensor. This paper has important significance low dimensional silicon carbon nano materials of electronic transport properties in deep understanding, for the development of ultrafine silicon carbon nanowire transistors, provides a theoretical guidance for the design of high performance molecular devices and design and development of a single atomic layer of nano devices.

【學(xué)位授予單位】：山東大學(xué)
【學(xué)位級別】：博士
【學(xué)位授予年份】：2017
【分類號】：TB383.1;TN303

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本文編號：1395560