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AN IMPROVED TIGHT-BINDING MODEL FOR PHOSPHORENE

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Date Issued:
2016
Abstract/Description:
The intent of this thesis is to improve upon previously proposed tight-binding models for one dimensional black phosphorus, or phosphorene. Previous models offer only a qualitative analysis of the band structure of phosphorene, and fail to fully realize critical elements in the electronic band structure necessary for transport calculations. In this work we propose an improved tight-binding model for phosphorene by including up to eight nearest-neighbor interactions. The efficacy of the model is verified by comparison with DFT-HSE06 calculations, and the anisotropy of the effective masses in the armchair and zigzag directions is considered.
Title: AN IMPROVED TIGHT-BINDING MODEL FOR PHOSPHORENE.
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Name(s): DeLello, Kursti, Author
Mucciolo, Eduardo, Committee Chair
University of Central Florida, Degree Grantor
Type of Resource: text
Date Issued: 2016
Publisher: University of Central Florida
Language(s): English
Abstract/Description: The intent of this thesis is to improve upon previously proposed tight-binding models for one dimensional black phosphorus, or phosphorene. Previous models offer only a qualitative analysis of the band structure of phosphorene, and fail to fully realize critical elements in the electronic band structure necessary for transport calculations. In this work we propose an improved tight-binding model for phosphorene by including up to eight nearest-neighbor interactions. The efficacy of the model is verified by comparison with DFT-HSE06 calculations, and the anisotropy of the effective masses in the armchair and zigzag directions is considered.
Identifier: CFH2000023 (IID), ucf:45597 (fedora)
Note(s): 2016-05-01
B.S.
College of Sciences, Physics
Bachelors
This record was generated from author submitted information.
Subject(s): phosphorene
tight-binding
anisotropy
effective mass
black phosphorus
Persistent Link to This Record: http://purl.flvc.org/ucf/fd/CFH2000023
Restrictions on Access: public
Host Institution: UCF

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