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Title: Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene

Abstract

We develop an effective extended Hubbard model to describe the low-energy electronic properties of the twisted bilayer graphene. By using the Bloch states in the effective continuum model and with the aid of the maximally localized algorithm, we construct the Wannier orbitals and obtain an effective tight-binding model on the emergent honeycomb lattice. We find that the Wannier state takes a peculiar three-peak form in which the amplitude maxima are located at the triangle corners surrounding the center. Here, we estimate the direct Coulomb interaction and the exchange interaction between the Wannier states. At the filling of two electrons per supercell, in particular, we find an unexpected coincidence in the direct Coulomb energy between a charge-ordered state and a homogeneous state, which could possibly lead to an unconventional many-body state.

Authors:
 [1];  [2];  [3];  [1];  [1];  [2]
  1. Osaka Univ., Toyonaka (Japan)
  2. Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
  3. Tohoku Univ., Sendai (Japan)
Publication Date:
Research Org.:
Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1474783
Alternate Identifier(s):
OSTI ID: 1499092
Grant/Contract Number:  
SC0010526
Resource Type:
Published Article
Journal Name:
Physical Review. X
Additional Journal Information:
Journal Volume: 8; Journal Issue: 3; Journal ID: ISSN 2160-3308
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Koshino, Mikito, Yuan, Noah F. Q., Koretsune, Takashi, Ochi, Masayuki, Kuroki, Kazuhiko, and Fu, Liang. Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene. United States: N. p., 2018. Web. doi:10.1103/physrevx.8.031087.
Koshino, Mikito, Yuan, Noah F. Q., Koretsune, Takashi, Ochi, Masayuki, Kuroki, Kazuhiko, & Fu, Liang. Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene. United States. doi:10.1103/physrevx.8.031087.
Koshino, Mikito, Yuan, Noah F. Q., Koretsune, Takashi, Ochi, Masayuki, Kuroki, Kazuhiko, and Fu, Liang. Fri . "Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene". United States. doi:10.1103/physrevx.8.031087.
@article{osti_1474783,
title = {Maximally Localized Wannier Orbitals and the Extended Hubbard Model for Twisted Bilayer Graphene},
author = {Koshino, Mikito and Yuan, Noah F. Q. and Koretsune, Takashi and Ochi, Masayuki and Kuroki, Kazuhiko and Fu, Liang},
abstractNote = {We develop an effective extended Hubbard model to describe the low-energy electronic properties of the twisted bilayer graphene. By using the Bloch states in the effective continuum model and with the aid of the maximally localized algorithm, we construct the Wannier orbitals and obtain an effective tight-binding model on the emergent honeycomb lattice. We find that the Wannier state takes a peculiar three-peak form in which the amplitude maxima are located at the triangle corners surrounding the center. Here, we estimate the direct Coulomb interaction and the exchange interaction between the Wannier states. At the filling of two electrons per supercell, in particular, we find an unexpected coincidence in the direct Coulomb energy between a charge-ordered state and a homogeneous state, which could possibly lead to an unconventional many-body state.},
doi = {10.1103/physrevx.8.031087},
journal = {Physical Review. X},
number = 3,
volume = 8,
place = {United States},
year = {2018},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/physrevx.8.031087

Citation Metrics:
Cited by: 12 works
Citation information provided by
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