Browsing by Author "Henryk Witek"

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富矽氮化物中矽量子點晶體生長之電腦模擬
(2008)
魏恆理
;
Henryk Witek
;
國立交通大學
我們計畫利用最近發展的self-consistent-charge density-functional tight-binding (SCC-DFTB)方法進行富矽氮化物中矽量子點晶體生長之電腦模擬，此法應用DFTB算出原子作用力再用分子動力學進行動態模擬，DFTB是密度泛涵理論的近似法，可以得到接近密度泛涵理論的結果而在運算上快很多，首先，我們用亂數產生Si 及N在空間中的分布，再優化到某一個溫度下的穩定幾何結構，此結構將近似低溫PECVD製程的初始結構，晶粒析出的現象則預期在中、高溫的回火中產生。我們的主要目標為：(1)找出成核機制，(2)估算適當的回火溫度，(3)估算適當的矽氮比例，(4)估算快速成核的初始結構，這些資訊將助富矽氮化物中矽量子點晶體生長實驗找到有效的實驗參數。
[新修] 化學(一)-96學年度
(2007)
Henryk Witek
;
Open Education Office
;
開放教育推動中心
課程首頁本課程是由交通大學應用化學系提供。 General chemistry explores chemical phenomena in terms of atomic models and quantum mechanics, including the formation of chemical bonds, the shape of atoms, three states of matter, and thermal equilibrium. In this semester, we will talk about the history of atomic models; introduce particles and particle dualism, and the quantum theory in embryo; learn about the difference between classical dynamic equations and Schrödinger equation along with the simplest examples of Schrödinger equation; and derive the hydrogen atom’s energy level through Schrödinger equation. Then we’ll move on to topics like wave functions and the orbital of hydrogen atoms, the periodic chart and the electronic configuration of chemical elements, and periodicity of the elements, etc. In chapter 2, we first introduce the forming of ionic bonds, the idea of how to build Lewis Structure, and exceptions to the octet rule and chemical bond properties. Chapter 3 is an introduction to valence-shell electron pair repulsion theory (VSEPR), valence-bond theory and molecular orbital theory. We hope students can thus establish a solid foundation of chemical knowledge after taking this course.