TY - JOUR
T1 - Electronic structure of 9 quintuple layers Bi2Se3within Density Functional Theory
AU - Hasan, M.
AU - Majidi, M. A.
N1 - Funding Information:
We are very grateful to Universitas Indonesia for providing us full funding for this project through PITTA Research Grant No. NKB-0644/UN2.R3.1/HKP.05.00/2019. The computational work is partially supported by HPC-LIPI service and the Theoretical and Computational Condensed-Matter Physics (TCMP) Lab at the Department of Physics of FMIPA Universitas Indonesia.
Publisher Copyright:
© Published under licence by IOP Publishing Ltd.
Copyright:
Copyright 2020 Elsevier B.V., All rights reserved.
PY - 2020
Y1 - 2020
N2 - Bismuth Selenide (Bi2Se3) is a well-known 3D-type topological insulator. The interior part of this material is insulating, while its surface state is metallic which is protected by time-reversal symmetry. The experimental study of this material by varying its thickness reveals that the metallic surface state starts to appear at a minimum thickness of six Quintuple Layer (QL). This study was performed within the Density Functional Theory (DFT) in which a vacuum gap is added to the multilayer structure in order to capture the surface states of the material. While a previous study has explored the electronic structure of this material upto a thickness of 8 QL, a more detailed information of how the system evolves from this thickness to a fully bulk limit has not much been explored. With this motivation, we propose to calculate the electronic structure of this material with thickness of 9 QL. We perform the DFT calculation using Quantum Espresso (QE) package. Our results show that the band structure of this system reveals the surface metallic states with many additional bands as compared to those of thinner layer systems.
AB - Bismuth Selenide (Bi2Se3) is a well-known 3D-type topological insulator. The interior part of this material is insulating, while its surface state is metallic which is protected by time-reversal symmetry. The experimental study of this material by varying its thickness reveals that the metallic surface state starts to appear at a minimum thickness of six Quintuple Layer (QL). This study was performed within the Density Functional Theory (DFT) in which a vacuum gap is added to the multilayer structure in order to capture the surface states of the material. While a previous study has explored the electronic structure of this material upto a thickness of 8 QL, a more detailed information of how the system evolves from this thickness to a fully bulk limit has not much been explored. With this motivation, we propose to calculate the electronic structure of this material with thickness of 9 QL. We perform the DFT calculation using Quantum Espresso (QE) package. Our results show that the band structure of this system reveals the surface metallic states with many additional bands as compared to those of thinner layer systems.
UR - http://www.scopus.com/inward/record.url?scp=85096474530&partnerID=8YFLogxK
U2 - 10.1088/1757-899X/902/1/012061
DO - 10.1088/1757-899X/902/1/012061
M3 - Conference article
AN - SCOPUS:85096474530
SN - 1757-8981
VL - 902
JO - IOP Conference Series: Materials Science and Engineering
JF - IOP Conference Series: Materials Science and Engineering
IS - 1
M1 - 012061
T2 - 4th International Symposium on Current Progress in Functional Materials, ISCPFM 2019
Y2 - 6 November 2019 through 7 November 2019
ER -