Search Menu
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information
Search Scholarly Publications

Title: Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene

Abstract

While various excitonic insulators have been studied in the literature, due to the perceived too-small spin splitting, spin-triplet excitonic insulator is rare. In two-dimensional systems such as a semihydrogenated graphene (known as graphone), however, it is possible, as revealed by first-principles calculations coupled with Bethe-Salpeter equation. Here, the critical temperature, given by an effective Hamiltonian, is 11.5 K. While detecting excitonic insulators is still a daunting challenge, the condensation of triplet excitons will result in spin superfluidity, which can be directly measured by a transport experiment. Nonlocal dielectric screening also leads to an unexpected phenomenon, namely, an indirect-to-direct transition crossover between single-particle band and exciton dispersion in the semihydrogenated graphene, which offers yet another test by experiment.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [5];  [6]; ORCiD logo [1];  [7]
+ Show Author Affiliations
  1. Tsinghua Univ., Beijing (China)
  2. Chinese Academy of Sciences (CAS), Beijing (China)
  3. Inst. of Applied Physics and Computational Mathematics, Beijing (China)
  4. Beijing Inst. of Technology (China)
  5. Inst. of Applied Physics and Computational Mathematics, Beijing (China); CAEP Software Center for High Performance Numerical Simulation, Beijing (China)
  6. Chinese Academy of Sciences (CAS), Beijing (China); Beijing Academy of Quantum Information Sciences (China)
  7. Rensselaer Polytechnic Inst., Troy, NY (United States)
Publication Date:
Research Org.:
Rensselaer Polytechnic Inst., Troy, NY (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); NSFC; Ministry of Science and Technology of China; National Natural Science Foundation of China (NSFC); Beijing Advanced Innovation Center for Future Chip (ICFC)
OSTI Identifier:
1762287
Alternate Identifier(s):
OSTI ID: 1615712
Grant/Contract Number:  
SC0002623; 51788104; KF201702; TZ2018002; 2016YFA0301001; 2018YFA0306101; 1674071; 11674188; 11434010; 11974340; 11574303; 61674145
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 124; Journal Issue: 16; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; excitons; graphene; first-principles calculations

Citation Formats

Jiang, Zeyu, Lou, Wenkai, Liu, Yu, Li, Yuanchang, Song, Haifeng, Chang, Kai, Duan, Wenhui, and Zhang, Shengbai. Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene. United States: N. p., 2020. Web. doi:10.1103/physrevlett.124.166401.
Copy to clipboard
Jiang, Zeyu, Lou, Wenkai, Liu, Yu, Li, Yuanchang, Song, Haifeng, Chang, Kai, Duan, Wenhui, & Zhang, Shengbai. Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene. United States. https://doi.org/10.1103/physrevlett.124.166401
Copy to clipboard
Jiang, Zeyu, Lou, Wenkai, Liu, Yu, Li, Yuanchang, Song, Haifeng, Chang, Kai, Duan, Wenhui, and Zhang, Shengbai. Wed . "Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene". United States. https://doi.org/10.1103/physrevlett.124.166401. https://www.osti.gov/servlets/purl/1762287.
Copy to clipboard
@article{osti_1762287,
title = {Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene},
author = {Jiang, Zeyu and Lou, Wenkai and Liu, Yu and Li, Yuanchang and Song, Haifeng and Chang, Kai and Duan, Wenhui and Zhang, Shengbai},
abstractNote = {While various excitonic insulators have been studied in the literature, due to the perceived too-small spin splitting, spin-triplet excitonic insulator is rare. In two-dimensional systems such as a semihydrogenated graphene (known as graphone), however, it is possible, as revealed by first-principles calculations coupled with Bethe-Salpeter equation. Here, the critical temperature, given by an effective Hamiltonian, is 11.5 K. While detecting excitonic insulators is still a daunting challenge, the condensation of triplet excitons will result in spin superfluidity, which can be directly measured by a transport experiment. Nonlocal dielectric screening also leads to an unexpected phenomenon, namely, an indirect-to-direct transition crossover between single-particle band and exciton dispersion in the semihydrogenated graphene, which offers yet another test by experiment.},
doi = {10.1103/physrevlett.124.166401},
journal = {Physical Review Letters},
number = 16,
volume = 124,
place = {United States},
year = {Wed Apr 22 00:00:00 EDT 2020},
month = {Wed Apr 22 00:00:00 EDT 2020}
}
Copy to clipboard
Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/physrevlett.124.166401
Copyright Statement
Other availability
Search WorldCat Search WorldCat to find libraries that may hold this journal
Citation Metrics:
Cited by: 29 works
Citation information provided by
Web of Science
Save / Share:
Export Metadata
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate
journal, June 2019

Excitonic Insulator
journal, June 1967

Dual-Route Hydrogenation of the Graphene/Ni Interface
journal, January 2019

Hybrid functionals based on a screened Coulomb potential
journal, May 2003

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 118, Issue 18
  • DOI: 10.1063/1.1564060

Two Kinds of Bosons and Bose Condensates
journal, January 1970

Scaling Universality between Band Gap and Exciton Binding Energy of Two-Dimensional Semiconductors
journal, June 2017

Strong Charge-Transfer Excitonic Effects and the Bose-Einstein Exciton Condensate in Graphane
journal, June 2010

Stable path to ferromagnetic hydrogenated graphene growth
journal, July 2014

A theoretical description of the new phases of liquid He 3
journal, April 1975

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

Evidence for a topological excitonic insulator in InAs/GaSb bilayers
journal, December 2017

exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory
journal, August 2014

  • Gulans, Andris; Kontur, Stefan; Meisenbichler, Christian
  • Journal of Physics: Condensed Matter, Vol. 26, Issue 36
  • DOI: 10.1088/0953-8984/26/36/363202

Excitonic Effects on the Optical Response of Graphene and Bilayer Graphene
journal, October 2009

Resonant inelastic x-ray scattering studies of elementary excitations
journal, June 2011

  • Ament, Luuk J. P.; van Veenendaal, Michel; Devereaux, Thomas P.
  • Reviews of Modern Physics, Vol. 83, Issue 2
  • DOI: 10.1103/RevModPhys.83.705

GW100: Comparison of Methods and Accuracy of Results Obtained with the WEST Code
journal, February 2018

  • Govoni, Marco; Galli, Giulia
  • Journal of Chemical Theory and Computation, Vol. 14, Issue 4
  • DOI: 10.1021/acs.jctc.7b00952

Accuracy of G W for calculating defect energy levels in solids
journal, July 2017

Realizing an intrinsic excitonic insulator by decoupling exciton binding energy from the minimum band gap
journal, August 2018

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986

Excitonic instability at the spin-state transition in the two-band Hubbard model
journal, March 2014

Carbon nanotubes as excitonic insulators
journal, November 2017

Excitonic Magnetism in Van Vleck–type d 4 Mott Insulators
journal, November 2013

(C1.04H)n: A nearly perfect pure graphane
journal, October 2016

Erratum: “Hybrid functionals based on a screened Coulomb potential” [J. Chem. Phys. 118, 8207 (2003)]
journal, June 2006

  • Heyd, Jochen; Scuseria, Gustavo E.; Ernzerhof, Matthias
  • The Journal of Chemical Physics, Vol. 124, Issue 21
  • DOI: 10.1063/1.2204597

Anisotropy Effects in the Excitonic Insulator
journal, October 1967

Structure and dynamics investigations of a partially hydrogenated graphene/Ni(111) surface
journal, April 2017

Spin superconductor in ferromagnetic graphene
journal, December 2011

Zero-gap semiconductor to excitonic insulator transition in Ta2NiSe5
journal, February 2017

  • Lu, Y. F.; Kono, H.; Larkin, T. I.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms14408

Competition between excitonic charge and spin density waves: Influence of electron-phonon and Hund's rule couplings
journal, September 2015

Reversible Hydrogenation of Graphene on Ni(111)-Synthesis of “Graphone”
journal, January 2015

  • Zhao, Wei; Gebhardt, Julian; Späth, Florian
  • Chemistry - A European Journal, Vol. 21, Issue 8
  • DOI: 10.1002/chem.201404938

Signatures of exciton condensation in a transition metal dichalcogenide
journal, December 2017

Electron-hole excitations and optical spectra from first principles
journal, August 2000

yambo: An ab initio tool for excited state calculations
journal, August 2009

  • Marini, Andrea; Hogan, Conor; Grüning, Myrta
  • Computer Physics Communications, Vol. 180, Issue 8
  • DOI: 10.1016/j.cpc.2009.02.003

Optical response and ground state of graphene
journal, November 2011

Possible Anomalies at a Semimetal-Semiconductor Transistion
journal, October 1968

Ferromagnetism in Semihydrogenated Graphene Sheet
journal, November 2009

    Sort by:
    [ × clear filter / sort ]

    Similar Records in DOE PAGES and OSTI.GOV collections: