發(fā)布時(shí)間：2018-05-23 10:20

  本文選題：硅量子面 + 表面鍵合��； 參考：《貴州大學(xué)》2015年碩士論文

【摘要】：硅是微電子器件的主要材料,但由于硅的間接帶隙的性質(zhì),其發(fā)光效率和強(qiáng)度都不高,使實(shí)現(xiàn)硅基光電子集成受到限制。但自從Canham在1990年研究發(fā)現(xiàn)多孔硅在室溫下的PL強(qiáng)發(fā)光以來(lái),硅基發(fā)光材料引起了人們的廣泛興趣和深入研究。材料的發(fā)光性能主要由其電子結(jié)構(gòu)決定,可以通過(guò)雜質(zhì)工程與能帶工程來(lái)改變材料的帶隙特征以提高其發(fā)光效率,主要有兩種途徑：一種是利用量子限制效應(yīng),另一種是引入表而發(fā)光中心。本文在不同氛圍中的硅襯底上用PLD制備Si-Yb多層膜結(jié)構(gòu),發(fā)現(xiàn)在氮?dú)夥諊兄苽涞臉悠返腅L發(fā)光具有明顯的閾值行為,且隨著膜層的增加,EL強(qiáng)度增強(qiáng),這為制備硅基上的LED及量子級(jí)聯(lián)激光器提供了新方法。在不同氛圍中對(duì)納米硅薄膜進(jìn)行加工時(shí),會(huì)在表面以鍵合形式產(chǎn)生表面態(tài),本文將納米硅薄膜看成是理想的二維硅量子面結(jié)構(gòu),其具有一維量子限制,使用Materials Studio軟件構(gòu)建模型,利用基于密度范函理論的第一性原理計(jì)算分析表而鍵合對(duì)硅量子面電子結(jié)構(gòu)的影響,發(fā)現(xiàn)：量子面厚度、表面鍵合原子的密度和超晶胞對(duì)稱(chēng)性對(duì)能帶的帶隙值起決定作用,由此證明了量子限制效應(yīng)和帶隙變窄效應(yīng),并得到了對(duì)稱(chēng)性效應(yīng)以及彎曲表面效應(yīng),并推測(cè)帶隙寬度與晶面取向無(wú)關(guān)；表而態(tài)使帶隙變窄是由于在帶隙中產(chǎn)生了表面能級(jí)。這些都能在理論上為能帶工程及納米硅薄膜的發(fā)光增強(qiáng)提供參考。幾乎所有的量子面的計(jì)算結(jié)果都呈現(xiàn)出準(zhǔn)直接帶隙特征,這可以有效提高硅材料的輻射復(fù)合效率。表面Si-Er鍵在帶隙中產(chǎn)生了局域化的能級(jí),可形成有效的發(fā)光中心,提高硅材料的發(fā)光效率。這是研發(fā)硅基LED和LD材料與器件的有效途徑。
[Abstract]:Silicon is the main material of microelectronic devices, but because of the properties of the indirect band gap of silicon, its luminescence efficiency and intensity are not high, so the realization of silicon based optoelectronic integration is limited. However, since the PL luminescence of porous silicon at room temperature was discovered by Canham in 1990, the silicon-based luminescence materials have attracted extensive interest and in-depth study. The luminescence properties of materials are mainly determined by their electronic structures. The band gap characteristics of materials can be changed by impurity engineering and band engineering to improve their luminescence efficiency. There are two main ways to improve the luminescence efficiency: one is to make use of quantum confinement effect. The other is the introduction of a watch and the luminous center. In this paper, Si-Yb multilayer films were prepared on silicon substrates in different atmosphere by PLD. It was found that the El luminescence of the samples prepared in nitrogen atmosphere had obvious threshold behavior, and the El intensity increased with the increase of the film layer. This provides a new method for the fabrication of silicon based LED and quantum cascade lasers. In this paper, the nanocrystalline silicon film is regarded as an ideal two-dimensional silicon quantum surface structure, which has one-dimensional quantum limitation, and the model is constructed by using Materials Studio software, when the nanocrystalline silicon thin film is processed in different atmosphere, and the surface state is produced in the form of bonding. The influence of bonding on the electronic structure of silicon quantum surface is calculated by using the first principle analysis table based on density norm theory. It is found that the thickness of quantum surface, the density of surface bonding atom and the symmetry of supercell play a decisive role on the band gap value. It is proved that quantum confinement effect and band gap narrowing effect, symmetry effect and curved surface effect are obtained, and the band gap width is not related to the orientation of crystal plane, and the apparent state makes the band gap narrow because the surface energy level is produced in the band gap. All of these can provide a reference for energy band engineering and luminescence enhancement of nanocrystalline silicon thin films in theory. Almost all the results of quantum surface show quasi-direct band gap characteristics, which can effectively improve the radiation recombination efficiency of silicon materials. The surface Si-Er bond produces localized energy levels in the band gap, which can form effective luminescence centers and improve the luminescence efficiency of silicon materials. This is an effective way to develop silicon based LED and LD materials and devices.
【學(xué)位授予單位】：貴州大學(xué)
【學(xué)位級(jí)別】：碩士
【學(xué)位授予年份】：2015
【分類(lèi)號(hào)】：TN304.12

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