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: | |
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| Format: | Theses |
| Language: | Indonesia |
| Subjects: | |
| Online Access: | https://digilib.itb.ac.id/gdl/view/38212 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |
| Summary: | 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. |
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