Numerical package for QFT calculations of defect-induced phenomena in graphene

被引:0
作者
Biswas, Hillol [1 ,2 ]
Mahalingam, Harshitra [3 ]
Rodin, Aleksandr [2 ,4 ]
机构
[1] Natl Univ Singapore, Dept Phys, 2 Sci Dr 3, Singapore 117542, Singapore
[2] Natl Univ Singapore, Ctr Adv Mat 2D, 6 Sci Dr 2, Singapore 117546, Singapore
[3] Natl Univ Singapore, Inst Funct Intelligent Mat, 4 Sci Dr 2, Singapore 117544, Singapore
[4] Yale NUS Coll, 16 Coll Ave West, Singapore 138527, Singapore
基金
新加坡国家研究基金会;
关键词
graphene; magnetic impurities; coulomb impurities; RKKY; atomic collapse;
D O I
10.1088/1361-648X/aca002
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
We introduce a computationally efficient method based on the path integral formalism to describe defect-modified graphene. By taking into account the entire Brillouin zone, our approach respects the lattice symmetry and can be used to investigate both short-range and long-range effects. The proposed method's key advantage is that the computational complexity does not increase with the system size, scaling, instead, with the number of defects. Our aim is to make the quantum-field calculations in graphene accessible to the experimental community. We demonstrate our method's capabilities by exploring the well-known graphene-mediated Ruderman-Kittel-Kasuya-Yoshida interaction and by performing a detailed study of the atomic collapse in the presence of defects.
引用
收藏
页数:12
相关论文
共 48 条
  • [1] Potential and spin-exchange interaction between Anderson impurities in graphene
    Agarwal, M.
    Mishchenko, E. G.
    [J]. PHYSICAL REVIEW B, 2019, 99 (08)
  • [2] Long-range exchange interaction between magnetic impurities in graphene
    Agarwal, M.
    Mishchenko, E. G.
    [J]. PHYSICAL REVIEW B, 2017, 95 (07)
  • [3] [Anonymous], 2022, RODIN PHYS GRAPHENEQ
  • [4] Julia: A Fresh Approach to Numerical Computing
    Bezanson, Jeff
    Edelman, Alan
    Karpinski, Stefan
    Shah, Viral B.
    [J]. SIAM REVIEW, 2017, 59 (01) : 65 - 98
  • [5] RKKY coupling in graphene
    Black-Schaffer, Annica M.
    [J]. PHYSICAL REVIEW B, 2010, 81 (20)
  • [6] Hydrogen on graphene: Electronic structure, total energy, structural distortions and magnetism from first-principles calculations
    Boukhvalov, D. W.
    Katsnelson, M. I.
    Lichtenstein, A. I.
    [J]. PHYSICAL REVIEW B, 2008, 77 (03):
  • [7] Gate-controlled ionization and screening of cobalt adatoms on a graphene surface
    Brar, Victor W.
    Decker, Regis
    Solowan, Hans-Michael
    Wang, Yang
    Maserati, Lorenzo
    Chan, Kevin T.
    Lee, Hoonkyung
    Girit, Caglar O.
    Zettl, Alex
    Louie, Steven G.
    Cohen, Marvin L.
    Crommie, Michael F.
    [J]. NATURE PHYSICS, 2011, 7 (01) : 43 - 47
  • [8] Impurity-Induced Spin-Orbit Coupling in Graphene
    Castro Neto, A. H.
    Guinea, F.
    [J]. PHYSICAL REVIEW LETTERS, 2009, 103 (02)
  • [9] Chen J., 2016, arXiv
  • [10] Variable range of the RKKY interaction in edged graphene
    Duffy, J. M.
    Gorman, P. D.
    Power, S. R.
    Ferreira, M. S.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2014, 26 (05)