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| DC 欄位 | 值 | 語言 |
|---|---|---|
| dc.contributor.advisor | 郭光宇 | |
| dc.contributor.author | Chi-Shuan Shie | en |
| dc.contributor.author | 謝其軒 | zh_TW |
| dc.date.accessioned | 2021-06-16T05:10:43Z | - |
| dc.date.available | 2014-08-21 | |
| dc.date.copyright | 2014-08-21 | |
| dc.date.issued | 2014 | |
| dc.date.submitted | 2014-08-19 | |
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| dc.identifier.uri | http://tdr.lib.ntu.edu.tw/jspui/handle/123456789/55915 | - |
| dc.description.abstract | 近代科學對於二維石墨烯的大量研究，起自於2004年Andre Geim 和Konstantin Novoselov 在曼徹斯特大學的實驗室中，成功用膠帶把二維石墨烯從石墨晶體中分離出來。由於石墨烯本身獨特的各種物理性質，全球的科學研究者都為之瘋迷，尤其是因為其線性的電導率，一般認為是在倒晶格中，費米面K對稱點上的狄拉克錐所造成。二維石墨烯是由是由蜂窩形狀碳元素所排列而成的二維晶體，碳原子上的電子主要是 軌域混成。透過對於電子能量散失能譜的研究，我們可以理解到，二維與三維石墨烯對於動量與能量的色散關係，以及對於電導性的影響。
類似的蜂巢型結構也可以在二維和三維的六方硼化氮中被發現。它們和六方石墨烯有類似的結構，但是在物理性質上卻有本質上的不同。其中石墨烯為導體，而硼化氮為半導體。在此我們也會討論二維六方硼化氮的電子能量散失能譜。 我利用時間相關密度泛函理論，來計算一系列不同的傳導動量所對應到的電子能量散失能譜。我也會對於倒空間中不同動量方向電子能量散失能譜，討論各向異性的現象。另一方面，我也會於二維和三維六方結構的材料中，討論不同特徵的電漿子激發。 | zh_TW |
| dc.description.abstract | The recent studies in graphene have been prosperous since the first isolated graphene from graphite with a tap in 2004 by Andre Geim and Konstantin Novoselov in a laboratory at the University of Manchester. The special physical properties of graphene have been attractive to researches around the world, including the linearized conductivity, believed to be caused by Dirac cone at the K point in the reciprocal lattice. Fundamentally, graphene is just a two-dimensional honeycomb lattice composed of carbons, with four valence electrons of sp¬¬2 hybridized density distribution. Through a study of electronic energy loss spectrum of graphene and graphite, one can observe the different patterns of dispersion relation of momentum and frequency and further, conductivity.
A similar honeycomb structure may also be found in hexagonal boron nitride and the single boron nitride sheet. Hexagonal boron nitride is of a similar structure with graphite but with very different physical properties. Although graphite is a conductor, the graphitic boron nitride, also called hexagonal boron nitride, is a semi-conductor. The single boron nitride sheet is also an interesting structure for the electron energy-loss spectra study. In this thesis, I calculated the electron energy-loss spectra with a sequence of different transferred momenta which are relatively small against the ones of incident electrons by applying time-dependent density-functional theory. Here I will discuss the anisotropy of plasmon excitations for momentum transferred in different directions; further, the different patterns of plasmon excitations in two- and three- dimension hexagonal structural materials. | en |
| dc.description.provenance | Made available in DSpace on 2021-06-16T05:10:43Z (GMT). No. of bitstreams: 1 ntu-103-R01222050-1.pdf: 4335341 bytes, checksum: 4e7c996ac075d1c0d5d210a2959931b8 (MD5) Previous issue date: 2014 | en |
| dc.description.tableofcontents | 口試委員會審定書 i
誌謝 ii 中文摘要 iii ABSTRACT iv CONTENTS v LIST OF FIGURES viii Chapter 1 Introduction 1 1.1 Overview of plasmon excitations 1 1.2 Thesis outline 2 Chapter 2 Theoretical Background and Computational Method 3 2.1 Density functional theory 3 2.1.1 Introduction 3 2.1.2 Thomas-Fermi theory 4 2.1.3 Hohenberg-Kohn theorem 6 2.1.4 Kohn-Sham equation 7 2.1.5 Exchange-correlation potentials 10 2.1.6 Projector-augmented wave method 11 2.2 Linear density response function 15 2.2.1 Introduction to linear response theory 15 2.2.2 Kubo formula for the dielectric function 16 2.2.3 The random phase approximation 21 2.2.4 The adiabatic local density approximation 24 2.2.5 Local-field corrections 28 2.2.6 Electron energy loss spectroscopy 28 2.3 Grid-based Projector-augmented Wave Code 31 2.3.1 Introduction 31 2.3.2 Linear density response function in projector-augmented method 31 Chapter 3 Plasmon Excitations in Graphite and Graphene 33 3.1 Fundamental properties of graphite and graphene 33 3.1.1 Introduction to graphite and graphene and computational details 33 3.1.2 Electronic structure properties and plasmon excitations 35 3.2 Electron energy-loss spectra of graphite 37 3.2.1 Dielectric functions 37 3.2.2 Electron energy-loss spectra 40 3.2.3 Dispersion relation 47 3.3 Electron energy-loss spectra of graphene 48 3.3.1 Electron energy-loss spectra 48 3.3.2 Dispersion relation 54 3.3.3 Discussion of plasmon excitation in graphite and graphene. 55 Chapter 4 Plasmon Excitations in Hexagonal Boron Nitride and The Single Boron Nitride sheet 57 4.1 Fundamental properties of hexagonal boron nitride and the single boron nitride sheet 57 4.1.1 Introduction to hexagonal boron nitride and computational details 57 4.1.2 Electronic structure properties and plasmon excitations 58 4.2 Electron energy-loss spectra of hexagonal boron nitride 60 4.2.1 Electron energy-loss spectra 60 4.2.2 Dispersion relation 66 4.3 Electron energy-loss spectra of the single boron nitride sheet 67 4.3.1 Electron energy-loss spectra 67 4.3.2 Dispersion relation 71 Chapter 5 Conclusion 73 REFERENCE 74 | |
| dc.language.iso | en | |
| dc.title | 以時間相關密度泛函理論研究二維和三維六方碳和硼化氮材料之電漿子激發 | zh_TW |
| dc.title | Plasmon Excitations in Two- and Three- Dimension Hexagonal Carbon and Boron Nitride Materials Studied by Time-dependent Density-functional Calculations | en |
| dc.type | Thesis | |
| dc.date.schoolyear | 102-2 | |
| dc.description.degree | 碩士 | |
| dc.contributor.oralexamcommittee | 梁贊全,楊志開,薛宏中 | |
| dc.subject.keyword | 電漿子激發,密度泛涵理論,時間相關, | zh_TW |
| dc.subject.keyword | plasmon excitation,density functional theory,time-dependence, | en |
| dc.relation.page | 77 | |
| dc.rights.note | 有償授權 | |
| dc.date.accepted | 2014-08-19 | |
| dc.contributor.author-college | 理學院 | zh_TW |
| dc.contributor.author-dept | 物理研究所 | zh_TW |
| 顯示於系所單位： | 物理學系 | |
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