以第一原理研究石墨、單層與雙層石墨烯在外加應力下的電學性質與光學性質

黃俊銘

3.239.4.127，Hello！

Close
Search Quick Search Advanced Search Publication Search	Personal Service Member Login Searching History Use Bonus Card SYMSKAN
Browse Browse by University of Graduate Thesis Browse by Pinyin of Graduate Thesis Browse by Conference Proceedings Topic Browse by Conference Proceedings Publisher Browse by Pinyin of Conference Proceedings Browse by eBook Category Browse by eBook Topic Browse by eBook Publisher
Customer Services Authorize Airiti Recommend a Journal

Search Symbol (Half-width)	Description of Search Symbols
Space	"AND" indicates the intertwining of key terms used in a search
Double Quotation Marks ("") ( " " )	Double quotation marks indicate the beginning and end of a phrase, and the search will only include terms that appear in the same order of those within the quotations. Example: "image process" ： " image process "
?	Indicates a variable letter. Entering two ? will indicate two variable letters, and so on. Example: "Appl?", search results will yield apple, apply… e , appl y … ( (often used to English word searches) )
*	Indicates an unlimited number of variable letters to follow, from 1~n. Example: Enter "appl*", search results will yield apple, apples, apply, applied, application…(often used in English word searches) e , appl es , appl y , appl ied , appl ication … ( (often used to English word searches) )
AND、OR、NOT	Boolean logic combinations of key words is a skill used to expand or refine search parameters. (1) AND (1) AND: Refines search parameters (2) OR (2) OR: Expands search parameters (3) NOT: Excludes irrelevant parameters

DOI stands for Digital Object Identifier （ D igital O bject I dentifier ） ,
and is the unique identifier for objects on the internet. It can be used to create persistent link and to cite articles.

Using DOI as a persistent link

To create a persistent link, add「http://dx.doi.org/」「 http://dx.doi.org/ 」 before a DOI.
For instance, if the DOI of an article is 10.5297/ser.1201.002 , you can link persistently to the article by entering the following link in your browser: http://dx.doi.org/ 10.5297/ser.1201.002 。
The DOI link will always direct you to the most updated article page no matter how the publisher changes the document's position, avoiding errors when engaging in important research.

Cite a document with DOI

When citing references, you should also cite the DOI if the article has one. If your citation guideline does not include DOIs, you may cite the DOI link.

DOIs allow accurate citations, improve academic contents connections, and allow users to gain better experience across different platforms. Currently, there are more than 70 million DOIs registered for academic contents. If you want to understand more about DOI, please visit airiti DOI Registration （ doi.airiti.com ）。

Data Source

Basic & Applied Sciences > Physics
College of Science > Department of Physics

Bibliography Management Tool

Related Links

Report an Issue

There is no full-text available at the moment. Airiti would like to request author's authorization. I would like to provide authorization.

以第一原理研究石墨、單層與雙層石墨烯在外加應力下的電學性質與光學性質

First-Principle Study of Electronic Structure and Optical Properties of Graphite,Graphene and Bilayer Graphene under Strain

黃俊銘 , Masters　　Advisor：梁贊全　　

繁體中文

ALDA近似；轉移波數向量；迪拉克錐；雙層石墨烯；石墨烯；石墨；含時密度泛函理論； RPA近似；局域場效應； EELS頻譜； Wave vector of light q ； Dirac cone ； Bilayer graphene ； Graphene ； Graphite ； Time-Dependent Density-Functional Theory ； ALDA ； RPA ； Local field effect ； EELS

Abstract │ Reference (13) │ Altmetrics

Abstract 〈TOP〉

Parallel Abstract 〈TOP〉

Abstract
Graphene has attracted increasing attention in both theory and application from researchers due to their outstanding mechanical and electronic properties. The purpose of this thesis was to use Density Functional Theory (DFT) and Time-Dependent Denisty Functional Theory (TDDFT) to determine both the electrical and optical properties of graphite, graphene and bilayer graphene under homogeneous, armchair and zigzag strains. The effects of the strain on both band structure and work function were evaluated. Moreover, the Electron Energy Loss Spectroscopy (EELS) of strained graphite, graphene and bilayer graphene were calculated with in-plane and out-of-plane of vanishing momentum transfer of the light. Furthermore, the different calculation methods, e.g., Random Phase Approximation (RPA) and Adiabatic Local-Density Approximation (ALDA), with and without inclusion of local-effects were calculated and compared.
Results indicate that the strain effects on the electronic structure of graphite and AB stacking graphine were very similar. The size of eye shape, which was formed by the intersection of  and  bands near the Fermi level, increased as the applied strain increased. The strain effect on the electronic structure of graphene and bilayer graphene with AA stacking also shows very similar results. The Dirac point moved for stretching and compressed strain. We found that the work function of both monolayer and bilayer graphenes increased as the compressive strain increased and had a minimum at about -20%. Furthermore, for q parallel to the plane,the EELS of graphene and bilayer graphene inclusion of local-field effects show the similar results with those of exclude of the local-field effects. On the contrary, the local-field effects were found to be important for the EELS as q perpendicular to the plane.

Key words: Time-Dependent Density-Functional Theory,Graphite,
Graphene,Bilayer graphene,Dirac cone, Wave vector of light q,ALDA,
RPA,Local field effect,EELS

Reference ( 13 ) 〈TOP〉

[7]C. Ambrosch-Draxl, Phys. Scripta. T109, 48-53(2004).
連結：
[9]Stephan Sagmeister and Claudia Ambrosch-Draxl, Phys. Chem. Chem. Phys, 11, 4451-4457(2009).
連結：
參考文獻
[1] Jen-Hsien Wong, Bi-Ru Wu and Ming-Fa Lin, Phys. Chem. C 116, 8271(2012).
[2] Seon-Myeong Choi, Seung-Hoon Jhi, and Young-Woo Son, Phys. Rev. B81, 081407(2010).

Altmetrics

〈TOP〉

E-mail ：

When an article is available to download, a notice will be sent to your mailbox address.

E-mail ：