An ab initio investigation of flexoelectric effect in ultrathin BaTiO3 nanotubes

被引：5
|
作者：
Yin, Binglun [1 ,2 ]
Qu, Shaoxing [1 ,2 ]
机构：
[1] Zhejiang Univ, Dept Engn Mech, Hangzhou 310027, Peoples R China
[2] Zhejiang Univ, SMRC, Hangzhou 310027, Peoples R China
来源：
JOURNAL OF APPLIED PHYSICS | 2014年 / 115卷 / 07期
基金：
中国国家自然科学基金;
关键词：
POLARIZATION; CAPACITORS;
D O I：
10.1063/1.4866355
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
We predict the existence of radial polarizations in single-layer-thick BaTiO3 nanotubes via ab initio calculations. The electric polarization is confirmed and calculated by a reliable method based on electrostatic potential analysis. And the polarization is found proportional to the strain gradient, which is induced by the bending deformation. The calculated effective transverse flexoelectric coefficient of BaTiO3 nanotubes possesses an order of -1 nC/m. (C) 2014 AIP Publishing LLC.
引用
收藏
页数：4
相关论文
共 50 条
  • [41] Temperature dependence on phase evolution in the BaTiO3 polytypes studied using ab initio calculations
    Oliveira, Marisa C.
    Ribeiro, Renan A. P.
    Longo, Elson
    Bomio, Mauricio R. D.
    Motta, Fabiana V.
    de Lazaro, Sergio R.
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2020, 120 (01)
  • [42] Dependence of critical thickness on particle-size for ferroelectricity in BaTiO3 by Ab Initio calculations
    Ishizumi, Keisuke
    Kawanishi, Hironori
    Nakao, Ryo
    Takahashi, Isao
    Terauchi, Hikaru
    Hayafuji, Yoshinori
    Miura, Kaoru
    Japanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers, 2006, 45 (4 A): : 2656 - 2661
  • [43] Shell model of BaTiO3 derived from ab-initio total energy calculations
    Vielma, J. M.
    Schneider, G.
    JOURNAL OF APPLIED PHYSICS, 2013, 114 (17)
  • [44] A comparative ab initio study of Cu overlayers on BaTiO3(001) and MgO(001) substrates
    Zhukovskii, Yu. F.
    Kotomin, E. A.
    Ellis, D. E.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2008, 245 (05): : 980 - 985
  • [45] Ab initio study of the phase diagram of epitaxial BaTiO3 -: art. no. 212101
    Diéguez, O
    Tinte, S
    Antons, A
    Bungaro, C
    Neaton, JB
    Rabe, KM
    Vanderbilt, D
    PHYSICAL REVIEW B, 2004, 69 (21): : 212101 - 1
  • [46] Tailoring Self-Polarization of BaTiO3 Thin Films by Interface Engineering and Flexoelectric Effect
    Guo, Rui
    Shen, Lei
    Wang, Han
    Lim, Zhishiuh
    Lu, Wenlai
    Yang, Ping
    Ariando
    Gruverman, Alexei
    Venkatesan, Thirumalai
    Feng, Yuan Ping
    Chen, Jingsheng
    ADVANCED MATERIALS INTERFACES, 2016, 3 (23):
  • [47] Heating effect of BaTiO3 in microwave field and microstructure of BaTiO3
    李永伟
    刘韩星
    张汉林
    欧阳世翕
    Science China Mathematics, 1997, (07) : 779 - 784
  • [48] Heating effect of BaTiO3 in microwave field and microstructure of BaTiO3
    Li, YW
    Liu, HX
    Zhang, HL
    Ouyang, SX
    SCIENCE IN CHINA SERIES A-MATHEMATICS PHYSICS ASTRONOMY, 1997, 40 (07): : 779 - 784
  • [49] Ferroelectric phase transitions in ultrathin films of BaTiO3
    Paul, Jaita
    Nishimatsu, Takeshi
    Kawazoe, Yoshiyuki
    Waghmare, Umesh V.
    PHYSICAL REVIEW LETTERS, 2007, 99 (07)
  • [50] Heating effect of BaTiO3 in microwave field and microstructure of BaTiO3
    Yongwei Li
    Hanxing Liu
    Hanlin Zhang
    Shixi Ouyang
    Science in China Series A: Mathematics, 1997, 40 : 779 - 784
12345