Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate

Jiang, Zeyu; Li, Yuanchang; Duan, Wenhui; Zhang, Shengbai

doi:10.1103/PhysRevLett.122.236402

Title: Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate

Abstract

First-principles calculations reveal an unusual electronic state (dubbed as half excitonic insulator) in monolayer 1T-MX2 (M = Co, Ni and X = Cl, Br). Its one spin channel has a many-body ground state due to excitonic instability, while the other is characterized by a conventional band insulator gap. This disparity arises from a competition between the band gap and exciton binding energy, which exhibits a spin-dependence due to different orbital occupations. Such a state can be identified by optical absorption measurements and angle-resolved photoemission spectroscopy. Finally, our theory not only provides new insights for the study of exciton condensation in magnetic materials but also suggests that strongly correlated materials could be fertile candidates for excitonic insulators.

Authors:

Jiang, Zeyu ^[1]; Li, Yuanchang ^[2]; Duan, Wenhui ^[1]; Zhang, Shengbai ^[3]

Tsinghua Univ., Beijing (China)
Beijing Inst. of Technology (China)
Rensselaer Polytechnic Inst., Troy, NY (United States)

Publication Date:: Fri Jun 14 00:00:00 EDT 2019

Research Org.:: Rensselaer Polytechnic Inst., NY (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC)

OSTI Identifier:: 1594887

Alternate Identifier(s):: OSTI ID: 1546403

Grant/Contract Number:: SC0002623; 51788104; 2016YFA0301001; 11674071; 11674188

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 122; Journal Issue: 23; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; first-principles; electronic structure; exciton

Citation Formats


                    Jiang, Zeyu, Li, Yuanchang, Duan, Wenhui, and Zhang, Shengbai. Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate.  United States: N. p., 2019. 
Web.  doi:10.1103/PhysRevLett.122.236402.

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                    Jiang, Zeyu, Li, Yuanchang, Duan, Wenhui, & Zhang, Shengbai. Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate.  United States.  https://doi.org/10.1103/PhysRevLett.122.236402

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                    Jiang, Zeyu, Li, Yuanchang, Duan, Wenhui, and Zhang, Shengbai. Fri .  
"Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate".  United States.  https://doi.org/10.1103/PhysRevLett.122.236402.  https://www.osti.gov/servlets/purl/1594887.

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@article{osti_1594887,

  title        = {Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate},

  author       = {Jiang, Zeyu and Li, Yuanchang and Duan, Wenhui and Zhang, Shengbai},

  abstractNote = {First-principles calculations reveal an unusual electronic state (dubbed as half excitonic insulator) in monolayer 1T-MX2 (M = Co, Ni and X = Cl, Br). Its one spin channel has a many-body ground state due to excitonic instability, while the other is characterized by a conventional band insulator gap. This disparity arises from a competition between the band gap and exciton binding energy, which exhibits a spin-dependence due to different orbital occupations. Such a state can be identified by optical absorption measurements and angle-resolved photoemission spectroscopy. Finally, our theory not only provides new insights for the study of exciton condensation in magnetic materials but also suggests that strongly correlated materials could be fertile candidates for excitonic insulators.},

  doi          = {10.1103/PhysRevLett.122.236402},

  journal      = {Physical Review Letters},

  number       = 23,

  volume       = 122,

  place        = {United States},

  year         = {Fri Jun 14 00:00:00 EDT 2019},

  month        = {Fri Jun 14 00:00:00 EDT 2019}

}

Copy to clipboard

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Works referencing / citing this record:

Charge density wave hampers exciton condensation in $1 T − {TiSe}_{2}$
journal, November 2019

Lian, Chao; Ali, Zulfikhar A.; Wong, Bryan M.
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Title: Half-Excitonic Insulator: A Single-Spin Bose-Einstein Condensate

Abstract

Citation Formats

Generalized Gradient Approximation Made Simple journal, October 1996

Electric and magnetic multipoles and bond orders in excitonic insulators journal, September 2016

High-Temperature Fractional Quantum Hall States journal, June 2011

Excitonic Insulator journal, June 1967

Single-layer metal halides MX 2 (X = Cl, Br, I): stability and tunable magnetism from first principles and Monte Carlo simulations journal, January 2017

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

Unconventional superconductivity in magic-angle graphene superlattices journal, March 2018

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers journal, February 2018

Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO journal, December 2000

Effect of Hartree–Fock pseudopotentials on local density functional theory calculations journal, January 2018

Excitonic condensation of strongly correlated electrons: The case of Pr 0.5 Ca 0.5 CoO 3 journal, December 2014

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials journal, September 2009

Excitonic condensation in systems of strongly correlated electrons journal, July 2015

Experimental signatures of spin superfluid ground state in canted antiferromagnet Cr 2 O 3 via nonlocal spin transport journal, April 2018

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

Flatbands and Emergent Ferromagnetic Ordering in Fe 3 Sn 2 Kagome Lattices journal, August 2018

Optical Selection Rule of Excitons in Gapped Chiral Fermion Systems journal, February 2018

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study journal, January 1998

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

Control of Exciton Fluxes in an Excitonic Integrated Circuit journal, July 2008

Coherent Transport in a Homojunction between an Excitonic Insulator and Semimetal journal, May 2005

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides journal, April 2017

Optimized norm-conserving Vanderbilt pseudopotentials journal, August 2013

Phase diagram and collective excitations in an excitonic insulator from an orbital physics viewpoint journal, May 2016

Collective Monte Carlo Updating for Spin Systems journal, January 1989

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

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions journal, January 1996

Superexchange interaction and symmetry properties of electron orbitals journal, July 1959

Electronic structure calculations with dynamical mean-field theory journal, August 2006

Computational discovery of ferromagnetic semiconducting single-layer CrSnTe 3 journal, July 2015

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

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

Intensity of Optical Absorption by Excitons journal, December 1957

Interplay of p − d and d − d charge transfer transitions in rare-earth perovskite manganites journal, July 2010

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

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

Ligand-field helical luminescence in a 2D ferromagnetic insulator journal, December 2017

BCS-BEC crossover in the extended Falicov-Kimball model: Variational cluster approach journal, December 2011

Theory of the Role of Covalence in the Perovskite-Type Manganites [ La , M ( II ) ] Mn O 3 journal, October 1955

Charge density wave hampers exciton condensation in 1 T − TiSe 2 journal, November 2019

Generalized Gradient Approximation Made Simple
journal, October 1996

Electric and magnetic multipoles and bond orders in excitonic insulators
journal, September 2016

High-Temperature Fractional Quantum Hall States
journal, June 2011

Excitonic Insulator
journal, June 1967

Single-layer metal halides MX ₂ (X = Cl, Br, I): stability and tunable magnetism from first principles and Monte Carlo simulations
journal, January 2017

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

Unconventional superconductivity in magic-angle graphene superlattices
journal, March 2018

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers
journal, February 2018

Implementation of the projector augmented-wave LDA+U method: Application to the electronic structure of NiO
journal, December 2000

Effect of Hartree–Fock pseudopotentials on local density functional theory calculations
journal, January 2018

Excitonic condensation of strongly correlated electrons: The case of $\Pr_{0.5} {Ca}_{0.5} {CoO}_{3}$
journal, December 2014

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

Excitonic condensation in systems of strongly correlated electrons
journal, July 2015

Experimental signatures of spin superfluid ground state in canted antiferromagnet Cr ₂ O ₃ via nonlocal spin transport
journal, April 2018

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

Flatbands and Emergent Ferromagnetic Ordering in ${Fe}_{3} {Sn}_{2}$ Kagome Lattices
journal, August 2018

Optical Selection Rule of Excitons in Gapped Chiral Fermion Systems
journal, February 2018

Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

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

Control of Exciton Fluxes in an Excitonic Integrated Circuit
journal, July 2008

Coherent Transport in a Homojunction between an Excitonic Insulator and Semimetal
journal, May 2005

Crystal and Magnetic Structures in Layered, Transition Metal Dihalides and Trihalides
journal, April 2017

Optimized norm-conserving Vanderbilt pseudopotentials
journal, August 2013

Phase diagram and collective excitations in an excitonic insulator from an orbital physics viewpoint
journal, May 2016

Collective Monte Carlo Updating for Spin Systems
journal, January 1989

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

Dynamical mean-field theory of strongly correlated fermion systems and the limit of infinite dimensions
journal, January 1996

Superexchange interaction and symmetry properties of electron orbitals
journal, July 1959

Electronic structure calculations with dynamical mean-field theory
journal, August 2006

Computational discovery of ferromagnetic semiconducting single-layer ${CrSnTe}_{3}$
journal, July 2015

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

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

Intensity of Optical Absorption by Excitons
journal, December 1957

Interplay of $p − d$ and $d − d$ charge transfer transitions in rare-earth perovskite manganites
journal, July 2010

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

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

Ligand-field helical luminescence in a 2D ferromagnetic insulator
journal, December 2017

BCS-BEC crossover in the extended Falicov-Kimball model: Variational cluster approach
journal, December 2011

Theory of the Role of Covalence in the Perovskite-Type Manganites $[La, M (II)] Mn O_{3}$
journal, October 1955

Charge density wave hampers exciton condensation in $1 T − {TiSe}_{2}$
journal, November 2019