In-Plane Flexoelectricity in Two-Dimensional D3d Crystals

被引:2
作者
Springolo, Matteo [1 ]
Royo, Miquel [1 ]
Stengel, Massimiliano [1 ,2 ]
机构
[1] Inst Ciencia Mat Barcelona ICMAB CSIC, Campus UAB, Bellaterra 08193, Spain
[2] ICREA Inst Catalana Recerca Estudis Avancats, Barcelona 08010, Spain
基金
欧洲研究理事会;
关键词
PIEZOELECTRICITY; POLARIZATION; MONOLAYERS;
D O I
10.1103/PhysRevLett.131.236203
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We predict a large in-plane polarization response to bending in a broad class of trigonal two-dimensional crystals. We define and compute the relevant flexoelectric coefficients from first principles as linear-response properties of the undistorted layer by using the primitive crystal cell. The ensuing response (evaluated for SnS2, silicene, phosphorene, and RhI3 monolayers and for a hexagonal BN bilayer) is up to 1 order of magnitude larger than the out-of-plane components in the same material. We illustrate the topological implications of our findings by calculating the polarization textures that are associated with a variety of rippled and bent structures. We also determine the longitudinal electric fields induced by a flexural phonon at leading order in amplitude and momentum.
引用
收藏
页数:7
相关论文
共 60 条
  • [11] Flexible Nanogenerators for Energy Harvesting and Self-Powered Electronics
    Fan, Feng Ru
    Tang, Wei
    Wang, Zhong Lin
    [J]. ADVANCED MATERIALS, 2016, 28 (22) : 4283 - 4305
  • [12] Giant piezoelectricity of monolayer group IV monochalcogenides: SnSe, SnS, GeSe, and GeS
    Fei, Ruixiang
    Li, Wenbin
    Li, Ju
    Yang, Li
    [J]. APPLIED PHYSICS LETTERS, 2015, 107 (17)
  • [13] Mermin-Wagner theorem, flexural modes, and degraded carrier mobility in two-dimensional crystals with broken horizontal mirror symmetry
    Fischetti, Massimo V.
    Vandenberghe, William G.
    [J]. PHYSICAL REVIEW B, 2016, 93 (15)
  • [14] ABINIT: First-principles approach to material and nanosystem properties
    Gonze, X.
    Amadon, B.
    Anglade, P. -M.
    Beuken, J. -M.
    Bottin, F.
    Boulanger, P.
    Bruneval, F.
    Caliste, D.
    Caracas, R.
    Cote, M.
    Deutsch, T.
    Genovese, L.
    Ghosez, Ph.
    Giantomassi, M.
    Goedecker, S.
    Hamann, D. R.
    Hermet, P.
    Jollet, F.
    Jomard, G.
    Leroux, S.
    Mancini, M.
    Mazevet, S.
    Oliveira, M. J. T.
    Onida, G.
    Pouillon, Y.
    Rangel, T.
    Rignanese, G. -M.
    Sangalli, D.
    Shaltaf, R.
    Torrent, M.
    Verstraete, M. J.
    Zerah, G.
    Zwanziger, J. W.
    [J]. COMPUTER PHYSICS COMMUNICATIONS, 2009, 180 (12) : 2582 - 2615
  • [15] Flexural-Phonon Scattering Induced by Electrostatic Gating in Graphene
    Gunst, Tue
    Kaasbjerg, Kristen
    Brandbyge, Mads
    [J]. PHYSICAL REVIEW LETTERS, 2017, 118 (04)
  • [16] Optimized norm-conserving Vanderbilt pseudopotentials
    Hamann, D. R.
    [J]. PHYSICAL REVIEW B, 2013, 88 (08):
  • [17] Strongly enhanced electromechanical coupling in atomically thin transition metal dichalcogenides
    Haque, Md Farhadul
    Snapp, Peter
    Kim, Jin Myung
    Wang, Michael Cai
    Bae, Hyung Jong
    Cho, Chullhee
    Nam, SungWoo
    [J]. MATERIALS TODAY, 2021, 47 : 69 - 74
  • [18] Flexoelectric properties of multilayer two-dimensional material MoS2
    Hirakata, Hiroyuki
    Fukuda, Yasuyuki
    Shimada, Takahiro
    [J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS, 2022, 55 (12)
  • [19] Machine-Learning-Based Exploration of Bending Flexoelectricity in Novel 2D Van der Waals Bilayers
    Javvaji, Brahmanandam
    Zhuang, Xiaoying
    Rabczuk, Timon
    Mortazavi, Bohayra
    [J]. ADVANCED ENERGY MATERIALS, 2022, 12 (32)
  • [20] Exploring tensile piezoelectricity and bending flexoelectricity of diamane monolayers by machine learning
    Javvaji, Brahmanandam
    Mortazavi, Bohayra
    Zhuang, Xiaoying
    Rabczuk, Timon
    [J]. CARBON, 2021, 185 : 558 - 567