Published March 21, 2015
| Version v1
Journal article
Large-scale real-space density-functional calculations: Moiré-induced electron localization in graphene
- 1. Department of Applied Physics, The University of Tokyo, Tokyo 113-8656 (Japan)
Description
We show that our real-space finite-difference scheme allows us to perform density-functional calculations for nanometer-scale targets containing more than 100 000 atoms. This real-space scheme is applied to twisted bilayer graphene, clarifying that Moiré pattern induced in the slightly twisted bilayer graphene drastically modifies the atomic and electronic structures
Additional details
Identifiers
- DOI
- 10.1063/1.4913837;
Publishing Information
- Journal Title
- Journal of Applied Physics
- Journal Volume
- 117
- Journal Issue
- 11
- Journal Page Range
- p. 112811-112811.5
- ISSN
- 0021-8979
- CODEN
- JAPIAU
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46104987
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; S77: NANOSCIENCE AND NANOTECHNOLOGY;
- Descriptors DEI
- ATOMS; DENSITY FUNCTIONAL METHOD; ELECTRONIC STRUCTURE; ELECTRONS; GRAPHENE; LAYERS; NANOSTRUCTURES; SPACE
- Descriptors DEC
- CALCULATION METHODS; CARBON; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; LEPTONS; NONMETALS; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2015 AIP Publishing LLC