Quantum Monte Carlo studies of edge magnetism in chiral graphene nanoribbons

被引:44
|
作者
Golor, Michael [1 ,2 ,3 ]
Lang, Thomas C. [1 ,2 ,3 ,4 ]
Wessel, Stefan [1 ,2 ,3 ]
机构
[1] Rhein Westfal TH Aachen, Inst Theoret Solid State Phys, Aachen, Germany
[2] Boston Univ, JARA HPC High Performance Comp, Boston, MA 02215 USA
[3] Boston Univ, JARA FIT Fundamentals Future Informat Technolol, Boston, MA 02215 USA
[4] Boston Univ, Dept Phys, Boston, MA 02215 USA
来源
PHYSICAL REVIEW B | 2013年 / 87卷 / 15期
关键词
HUBBARD-MODEL; HONEYCOMB LATTICE; CARBON NANOTUBES; STATES;
D O I
10.1103/PhysRevB.87.155441
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We investigate chiral graphene nanoribbons using projective quantum Monte Carlo simulations within the local Hubbard-model description and study the effects of electron-electron interactions on the electronic and magnetic properties at the ribbons' edges. Static and dynamical properties are analyzed for nanoribbons of varying width and edge chirality and compared to a self-consistent Hartee-Fock mean-field approximation. Our results show that for chiral ribbons of sufficient width, the spin correlations exhibit exceedingly long correlation lengths, even between zigzag segments that are well separated by periodic armchair regions. Characteristic enhancements in the magnetic correlations for distinct ribbon widths and chiralities are associated with energy gaps in the tight-binding limit of such ribbons. We identify specific signatures in the local density of states and low-energy modes in the local spectral function which directly relate to enhanced electronic correlations along graphene nanoribbons. These signatures in the local density of states might be accessed by scanning tunneling spectroscopy on graphene nanoribbons.
引用
收藏
页数:11
相关论文
共 50 条
  • [1] Edge magnetism in transition metal dichalcogenide nanoribbons: Mean field theory and determinant quantum Monte Carlo
    Brito, Francisco M. O.
    Li, Linhu
    Lopes, Joao M. V. P.
    V. Castro, Eduardo
    PHYSICAL REVIEW B, 2022, 105 (19)
  • [2] Quantum Monte Carlo at the graphene quantum Hall edge
    Wang, Zhenjiu
    Luitz, David J.
    Villadiego, Inti Sodemann
    PHYSICAL REVIEW B, 2022, 106 (12)
  • [3] Interplay between the edge-state magnetism and long-range Coulomb interaction in zigzag graphene nanoribbons: Quantum Monte Carlo study
    Raczkowski, Marcin
    Assaad, Fakher F.
    PHYSICAL REVIEW B, 2017, 96 (11)
  • [4] QUANTUM MONTE CARLO STUDY OF MAGNETIC CORRELATION IN GRAPHENE NANORIBBONS AND QUANTUM DOTS
    Gao, Pan
    Liu, Suhang
    Tian, Lin
    Ma, Tianxing
    MODERN PHYSICS LETTERS B, 2013, 27 (21):
  • [5] Quantum magnetism of topologically-designed graphene nanoribbons
    Zhu, Xingchuan
    Guo, Huaiming
    Feng, Shiping
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2019, 31 (50)
  • [6] Dynamical Signatures of Edge-State Magnetism on Graphene Nanoribbons
    Feldner, Helene
    Meng, Zi Yang
    Lang, Thomas C.
    Assaad, Fakher F.
    Wessel, Stefan
    Honecker, Andreas
    PHYSICAL REVIEW LETTERS, 2011, 106 (22)
  • [7] Limited robustness of edge magnetism in zigzag graphene nanoribbons with electrodes
    Krompiewski, S.
    NANOTECHNOLOGY, 2014, 25 (46)
  • [8] Spatially resolving edge states of chiral graphene nanoribbons
    Tao, Chenggang
    Jiao, Liying
    Yazyev, Oleg V.
    Chen, Yen-Chia
    Feng, Juanjuan
    Zhang, Xiaowei
    Capaz, Rodrigo B.
    Tour, James M.
    Zettl, Alex
    Louie, Steven G.
    Dai, Hongjie
    Crommie, Michael F.
    NATURE PHYSICS, 2011, 7 (08) : 616 - 620
  • [9] Preserving the edge magnetism of graphene nanoribbons by iodine termination: a computational study
    Wang, Yu
    Li, Yafei
    THEORETICAL CHEMISTRY ACCOUNTS, 2014, 133 (10)
  • [10] Magnetism of finite graphene samples: Mean-field theory compared with exact diagonalization and quantum Monte Carlo simulations
    Feldner, Helene
    Meng, Zi Yang
    Honecker, Andreas
    Cabra, Daniel
    Wessel, Stefan
    Assaad, Fakher F.
    PHYSICAL REVIEW B, 2010, 81 (11):