本論文在C語言上開發出了一套三維半導體元件模擬架構,我們使用了帕松方程式(Poisson’s equation)、電子連續方程式(electron continuity equation)、電洞連續方程式(hole continuity equation)去描述三維空間中載子與電場的相互作用,並以這三個方程式為主軸去建立等效電路模型,最後再結合牛頓拉弗法(Newton Raphson method)以數值解的方式去求出方程式中的未知數,進而實現本論文中的模擬架構。我們會運用此模擬架構對不同結構的元件進行模擬量測,將理論值與手算估計值進行比較來佐證此模擬架構的準確度,為了確定此模擬架構在較複雜的3D結構中也能正確運作,本文選用了八分之一球、球殼進行模擬量測,我們會對八分之一球、球殼網格的建立步驟進行詳細的介紹,當中包括了如何避免網格封閉高斯面破裂,以及面臨量測節電不足時我們如何透過分割四面體去增加量測點使量測出的V-X圖能夠更為精準。;In this thesis, we develop a set of three-dimensional semiconductor device simulation program structure based on C language. We use Poisson’s equation, electron continuity equation and hole continuity equation to describe the interaction between the carrier and the electric field in the three dimensional space. Based on these equations we can establish three equivalent circuit model respect to the three equations. And then we use Newton Raphson method to solve the unknows in the equations. Finally, combining these concept we can realize our three dimensional simulation program structure. We will use this simulation program structure to simulate different semiconductor components, and compare and discuss the theoretical and simulated characteristic curves to prove the accuracy of the device simulation program structure. In order to confirm that this device simulation program structure can work correctly in more complex 3D structures, this paper selects one-eighth sphere and spherical shell for simulation measurement. We will describe the detailed step of how to construct the model of one-eighth sphere and spherical shell, including how to avoid the grid closed Gaussian surface rupture, and how we can divide the tetrahedron to increase the measurement points to make the measured V-X diagram more accurate when faced with insufficient measurement nodes.