臺灣博碩士論文加值系統

第一原理虛函數(pseudofuction)計算方法及局部電子密度近似法(local density approximation)被使用來計算[001]方向上矽薄膜受到<100>與<110>單軸應變下之電子結構。在平行及垂直<100>應變方向上，在導電能帶最低能量點(CBM)及其他能量很接近的能量極小處，平行<100>應變方向的電子有效質量隨應變而減少，然而垂直<100>應變方向的電子有效質量則隨應變而增加。這個趨勢顯示在平行的傳導通道中應變增加電子運動率，而在垂直的傳導通道中則降低電子運動率。至於在<110>應變之下，在導電能帶最低能量點(CBM)及其他能量很接近的能量極小處，平行及垂直應變方向之電子有效質量皆隨應變而增加。此結果顯示 在平行及垂直傳導通道中電子運動率皆隨應變減小。在<100>及<110>應變下，在導電能帶最低能量點(CBM)及其他能量很接近的能量極小處，能量次低的導電帶 隨著應變更加接近最低導電帶，此結果顯示應變可增加電子密度。

Contents
I. Introduction 1
II. Theory
2-1 The density functional theory (DFT)
with the local-density approximation (LDA) 3
2-2 The pseudofunction (PSF) calculation method 6
III. Calculation details 12
IV. Results and Discussion 15
V. Conclusion 19
References 20
Table Caption 22
Figure Caption 23
Tables 26
Figures 31

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