Configuration-induced rich electronic properties of bilayer graphene

Ngoc Thanh Thuy Tran, Shih Yang Lin, Olga E. Glukhova, Ming Fa Lin

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using first-principle calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA - AB - AA′ - AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.

Original languageEnglish
Pages (from-to)10623-10630
Number of pages8
JournalJournal of Physical Chemistry C
Volume119
Issue number19
DOIs
Publication statusPublished - 2015 May 14

Fingerprint

Graphite
Electronic properties
Graphene
Cones
graphene
cones
configurations
electronics
Metalloids
Dispersions
Band structure
Electron energy levels
Ground state
Carrier concentration
energy
metalloids
saddle points
misalignment
energy bands
interlayers

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Electronic, Optical and Magnetic Materials
  • Surfaces, Coatings and Films
  • Energy(all)

Cite this

Tran, Ngoc Thanh Thuy ; Lin, Shih Yang ; Glukhova, Olga E. ; Lin, Ming Fa. / Configuration-induced rich electronic properties of bilayer graphene. In: Journal of Physical Chemistry C. 2015 ; Vol. 119, No. 19. pp. 10623-10630.
@article{dfc3c41bbd4d4f7d87afe33f5de595a9,
title = "Configuration-induced rich electronic properties of bilayer graphene",
abstract = "The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using first-principle calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA - AB - AA′ - AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.",
author = "Tran, {Ngoc Thanh Thuy} and Lin, {Shih Yang} and Glukhova, {Olga E.} and Lin, {Ming Fa}",
year = "2015",
month = "5",
day = "14",
doi = "10.1021/jp511692e",
language = "English",
volume = "119",
pages = "10623--10630",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "19",

}

Configuration-induced rich electronic properties of bilayer graphene. / Tran, Ngoc Thanh Thuy; Lin, Shih Yang; Glukhova, Olga E.; Lin, Ming Fa.

In: Journal of Physical Chemistry C, Vol. 119, No. 19, 14.05.2015, p. 10623-10630.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Configuration-induced rich electronic properties of bilayer graphene

AU - Tran, Ngoc Thanh Thuy

AU - Lin, Shih Yang

AU - Glukhova, Olga E.

AU - Lin, Ming Fa

PY - 2015/5/14

Y1 - 2015/5/14

N2 - The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using first-principle calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA - AB - AA′ - AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.

AB - The objective of this paper is to investigate the geometric and electronic properties of shift-dependent bilayer graphene along armchair and zigzag directions using first-principle calculations. The interlayer distance and the total ground state energy gradually decrease and subsequently increase during the stacking configuration sequence: AA - AB - AA′ - AA. Furthermore, there are dramatic changes in which Dirac cones are transformed into parabolic bands or nonvertical Dirac cones, accompanied by a separation of the Dirac cones, creation of an arc-shaped stateless region, distorted energy dispersions, extra low-energy critical points, and splitting of middle-energy states. The density of states (DOS) exhibits many prominent peaks derived from saddle points. All the bilayer systems remain semimetals, with their free carrier densities strongly depending on the stacking configuration. The main features of energy bands and DOS can be used to identify the subangstrom misalignment stackings.

UR - http://www.scopus.com/inward/record.url?scp=84929378879&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84929378879&partnerID=8YFLogxK

U2 - 10.1021/jp511692e

DO - 10.1021/jp511692e

M3 - Article

AN - SCOPUS:84929378879

VL - 119

SP - 10623

EP - 10630

JO - Journal of Physical Chemistry C

JF - Journal of Physical Chemistry C

SN - 1932-7447

IS - 19

ER -