TY - JOUR
T1 - Effect of vacancy defects on electronic band structure and magnetic moment of single-layered graphene
T2 - 1st International Symposium on Physics and Applications, ISPA 2020
AU - Yusran, L. O.
AU - Asih, R.
AU - Arifin, R.
AU - Darminto,
N1 - Publisher Copyright:
© Published under licence by IOP Publishing Ltd.
PY - 2021/7/12
Y1 - 2021/7/12
N2 - In the present work, the density functional theory is used to study the electronic band structure and magnetic moment of single-layered pristine graphene and graphene with vacancy defects. The 4x4x1 supercell graphene consisting of 32 C atoms is used as pristine graphene (PG) and made the structure with a single vacancy (1V) and double vacancies (2V). The results show that the Dirac cone that exists in pristine graphene disappears in the graphene with vacancies. The DOS of spin up and down electrons in graphene with vacancies shows a mismatch, which is due to unpaired electrons. Vacancy defects also cause the presence of states at the Fermi level, which are not found in pristine graphene. Then, the double vacancies have a higher magnetic moment value than the single vacancy.
AB - In the present work, the density functional theory is used to study the electronic band structure and magnetic moment of single-layered pristine graphene and graphene with vacancy defects. The 4x4x1 supercell graphene consisting of 32 C atoms is used as pristine graphene (PG) and made the structure with a single vacancy (1V) and double vacancies (2V). The results show that the Dirac cone that exists in pristine graphene disappears in the graphene with vacancies. The DOS of spin up and down electrons in graphene with vacancies shows a mismatch, which is due to unpaired electrons. Vacancy defects also cause the presence of states at the Fermi level, which are not found in pristine graphene. Then, the double vacancies have a higher magnetic moment value than the single vacancy.
UR - http://www.scopus.com/inward/record.url?scp=85110821685&partnerID=8YFLogxK
U2 - 10.1088/1742-6596/1951/1/012013
DO - 10.1088/1742-6596/1951/1/012013
M3 - Conference article
AN - SCOPUS:85110821685
SN - 1742-6588
VL - 1951
JO - Journal of Physics: Conference Series
JF - Journal of Physics: Conference Series
IS - 1
M1 - 012013
Y2 - 17 December 2020 through 18 December 2020
ER -