AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS

An Ab-initio study with density functional theory (DOS) based has carried for armchair and zigzag graphene. This study concern with the band gap and density of state (DOS) characters of those graphene for several form, namely triangle, cone, hexagonal shapes. The defects effects for these charact...

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Main Author:	Umbu Janga Hauwali, Nikodemus
Format:	Theses
Language:	Indonesia
Subjects:	Fisika
Online Access:	https://digilib.itb.ac.id/gdl/view/38212
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Institution:	Institut Teknologi Bandung
Language:	Indonesia

id	id-itb.:38212
spelling	id-itb.:382122019-05-17T08:48:47ZAB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS Umbu Janga Hauwali, Nikodemus Fisika Indonesia Theses Graphene , DFT, bandgap, DOS. INSTITUT TEKNOLOGI BANDUNG https://digilib.itb.ac.id/gdl/view/38212 An Ab-initio study with density functional theory (DOS) based has carried for armchair and zigzag graphene. This study concern with the band gap and density of state (DOS) characters of those graphene for several form, namely triangle, cone, hexagonal shapes. The defects effects for these characters of each type is also presented. In addition, completing the results of the study, these characters for the mixed armchair and zigzag were also studied. From the bandgap calculation, the result of hexagonal zigzag graphene is the highest 0.55 eV, while the smallest state is owned by cone-shaped zigzag graphene along with the appearance of bandgap overlapping. Based on these results, it can be said that the calculated graphene is semimetal. In addition, the results of DOS calculations show that the calculated graphene system is non-magnetic with a small difference between spin up and spin down close to zero. text
institution	Institut Teknologi Bandung
building	Institut Teknologi Bandung Library
continent	Asia
country	Indonesia Indonesia
content_provider	Institut Teknologi Bandung
collection	Digital ITB
language	Indonesia
topic	Fisika
spellingShingle	Fisika Umbu Janga Hauwali, Nikodemus AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
description	An Ab-initio study with density functional theory (DOS) based has carried for armchair and zigzag graphene. This study concern with the band gap and density of state (DOS) characters of those graphene for several form, namely triangle, cone, hexagonal shapes. The defects effects for these characters of each type is also presented. In addition, completing the results of the study, these characters for the mixed armchair and zigzag were also studied. From the bandgap calculation, the result of hexagonal zigzag graphene is the highest 0.55 eV, while the smallest state is owned by cone-shaped zigzag graphene along with the appearance of bandgap overlapping. Based on these results, it can be said that the calculated graphene is semimetal. In addition, the results of DOS calculations show that the calculated graphene system is non-magnetic with a small difference between spin up and spin down close to zero.
format	Theses
author	Umbu Janga Hauwali, Nikodemus
author_facet	Umbu Janga Hauwali, Nikodemus
author_sort	Umbu Janga Hauwali, Nikodemus
title	AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
title_short	AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
title_full	AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
title_fullStr	AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
title_full_unstemmed	AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS
title_sort	ab initio study of graphene bandgap in armchair and zigzag types using density functional theory methods
url	https://digilib.itb.ac.id/gdl/view/38212
_version_	1822924974619361280

AB INITIO STUDY OF GRAPHENE BANDGAP IN ARMCHAIR AND ZIGZAG TYPES USING DENSITY FUNCTIONAL THEORY METHODS

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