本文選題：憶阻機(jī)理 + 材料模擬CuOx��； 參考：《華中科技大學(xué)》2012年碩士論文

【摘要】：隨著人們每天處理的信息量呈現(xiàn)出爆炸式增長，傳統(tǒng)的存儲器正面臨前所未有的高速度、大容量及多樣化需求的嚴(yán)峻挑戰(zhàn)。憶阻器的出現(xiàn)給予了人們新的思路和曙光。憶阻器與傳統(tǒng)的存儲器相比，以其更高的速度、更大容量、低功耗等存儲特性有望成為下一代信息存儲器件。此外，，以其獨特的非線性電路特性和電荷記憶特性有望實現(xiàn)儲存與計算的融合、制備具有神經(jīng)元突觸功能的認(rèn)知器件以及邏輯運算等。正是這些優(yōu)點，使國內(nèi)外科研機(jī)構(gòu)和半導(dǎo)體廠商都視憶阻器為下一代新型電子智能存儲器件。 當(dāng)前國內(nèi)外對憶阻器的材料、器件及其應(yīng)用等方面進(jìn)行了一系列的研究。然而憶阻器的納米尺度電輸運機(jī)制的不確定，導(dǎo)致的憶阻器機(jī)理的認(rèn)識存在嚴(yán)重的分歧，直接制約了憶阻器的研發(fā)與應(yīng)用。根據(jù)憶阻材料特性，構(gòu)建器件模型，采用理論計算探討非線性阻變特性并不是很多。本研究基于密度泛函理論和能帶結(jié)構(gòu)理論，使用第一性原理和非平衡格林函數(shù)方法，提出一種憶阻材料模擬方案，并使用AtomistixToolKit（ATK）軟件對憶阻材料進(jìn)行電子特性計算模擬，分析憶阻材料納米尺度下的電子輸運機(jī)制，探討憶阻器的非線性阻變機(jī)理。 根據(jù)提出的憶阻材料模擬方案，分別對CuOx憶阻材料和硫系化合物憶阻材料進(jìn)行計算模擬，構(gòu)建Ag電極-CuOx和Ag電極-Ge2Sb2Te5雙電極系統(tǒng)模型。進(jìn)一步使用模型，利用ATK軟件分別對Ag電極-CuOx和Ag電極-Ge2Sb2Te5兩個雙電極憶阻系統(tǒng)，進(jìn)行憶阻材料電子特性計算模擬，結(jié)合計算模擬結(jié)果分析憶阻材料非線性電阻特性。除此之外，分別對CuOx憶阻材料的CuO和CuOx兩種不同的雙電極系統(tǒng)的I-V特性進(jìn)行計算模擬，通過計算數(shù)據(jù)來分析CuOx憶阻器納米尺度電子輸運機(jī)理是由于電極與功能層的接觸在電壓的作用下由于邊界遷移效應(yīng)使得界面接觸由歐姆接觸逐漸改變?yōu)榉菤W姆接觸。第三，對Ge2Sb2Te5憶阻材料進(jìn)行Ag電極-Ge2Sb2Te5晶態(tài)與非晶態(tài)雙電極系統(tǒng)I-V特性進(jìn)行計算模擬，通過計算模擬得出Ge2Sb2Te5憶阻材料機(jī)理，由于存在Ge2Sb2Te5憶阻材料大量的空位，在發(fā)生缺陷效應(yīng)下，以及Ag電極也滲透和摻雜在Ge2Sb2Te5空位中使得Ge2Sb2Te5憶阻材料呈現(xiàn)憶阻特性。 本研究的憶阻器材料計算模擬方法和結(jié)論，為研究憶阻材料的機(jī)理提供了新的思路和重要理論參考。
[Abstract]:With the explosive growth of the amount of information that people process every day, the traditional memory is facing the severe challenge of unprecedented high speed, large capacity and diversified demand. The appearance of amnesia gives people a new way of thinking and dawn. Compared with the traditional memory, the memory device is expected to become the next generation information storage device with its higher speed, larger capacity and lower power consumption. In addition, because of its unique characteristics of nonlinear circuits and charge-memory, it is expected to realize the fusion of storage and computation, the fabrication of cognitive devices with synaptic function of neurons, and the logical operation. It is these advantages that make both domestic and foreign scientific research institutions and semiconductor manufacturers view amnesia as the next generation of electronic intelligent memory devices. At present, a series of research on materials, devices and applications of the resistive devices have been carried out at home and abroad. However, the uncertainty of nano-scale electrical transport mechanism leads to serious differences in the understanding of the mechanism, which directly restricts the research and development and application of the device. According to the characteristics of the resistive material, the device model is constructed, and the nonlinear resistance characteristics are not discussed by theoretical calculation. Based on density functional theory (DFT) and band structure theory (DFT) and using the first-principles and non-equilibrium Green's function method, this paper presents a simulation scheme for the memory materials, and uses Atomistix ToolKit (ATK) software to simulate the electronic properties of the materials. The mechanism of electron transport at nanometer scale is analyzed and the nonlinear resistance mechanism of the resistor is discussed. According to the proposed simulation scheme, the CuOx memristor and sulfur compound mnemonic material were calculated and simulated, respectively, and the model of Ag electrode -CuOx and Ag electrode -Ge2Sb2Te5 double electrode system was constructed. Further more, using ATK software to simulate the electronic characteristics of the two double electrode memory systems, Ag electrode -CuOx and Ag electrode -GE _ 2Sb _ 2TE _ 5, and to analyze the nonlinear resistance characteristics of the materials by combining the simulation results. In addition, the I-V characteristics of CuO and CuOx two-electrode systems are calculated and simulated respectively. The mechanism of nanoscale electron transport of CuOx amnesia is analyzed by calculating data. The interface contact is changed from ohmic contact to non-ohmic contact because of the contact between electrode and functional layer under the effect of voltage because of the boundary migration effect. Thirdly, the I-V characteristics of GE _ 2SB _ 2TE _ 5 crystal and amorphous two-electrode system are calculated and simulated. The mechanism of GE _ 2Sb _ 2TE _ 5 memory material is obtained by calculation and simulation. Due to the existence of a large number of vacancies in GE _ 2Sb _ 2TE _ 5 memristor material, the defect effect occurs. The Ag electrode also permeated and doped in the GE _ 2SB _ 2TE _ 5 vacancy, which made the GE _ 2SB _ 2TE _ 5 memristor exhibit the characteristics of amnesia. The method and conclusion of the material calculation and simulation in this paper provide a new way of thinking and important theoretical reference for studying the mechanism of the resistive material.
【學(xué)位授予單位】：華中科技大學(xué)
【學(xué)位級別】：碩士
【學(xué)位授予年份】：2012
【分類號】：TP333

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