Atomic-level simulation of ferroelectricity in BaTiO3 ultrathin films

被引：0
|
作者：
Tinte, S [1 ]
Stachiotti, MG [1 ]
机构：
[1] Univ Nacl Rosario, Inst Fis Rosario, RA-2000 Rosario, Argentina
来源：
INTEGRATED FERROELECTRICS | 2001年 / 38卷 / 1-4期
关键词：
thin films; domain structure; atomistic modeling;
D O I：
暂无
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
The question of how the ferroelectric phase transitions of bulk BaTiO3 axe modified in ultrathin films is investigated using an atomic-level simulation approach based on a model with parameters obtained from first-principles calculations. This model correctly reproduces the ferroelectric phase behavior of the bulk material and its static surface properties. The phase transition sequence in the film is investigated through molecular dynamics simulations. The effect on ferroelectricity produced by the film-substrate lattice mismatch is investigated by simulating strained epitaxial films grown on cubic substrates.
引用
收藏
页码：735 / 744
页数：10
相关论文
共 50 条
  • [1] Atomic-level simulation of perroelectricity in BaTiO3 ultrathin films
    Tinte, S.
    Stachiotti, M.G.
    Integrated Ferroelectrics, 2001, 38 (1-4) : 91 - 100
  • [2] Atomic-level simulation of ferroelectricity in perovskites
    Sepliarsky, M
    Phillpot, SR
    Stachiotti, MG
    Wolf, D
    Migoni, RL
    INTEGRATED FERROELECTRICS, 2001, 38 (1-4) : 725 - 734
  • [3] Atomic-level simulation of ferroelectricity in perovskttes
    Sepliarsky, M., 1600, Taylor and Francis Inc., 325 Chestnut St, Suite 800, Philadelphia PA, PA 19106, United States (38): : 1 - 4
  • [4] Robust ferroelectricity in ultrathin BaTiO3 films deposited at room temperature
    Li, Cong-Meng
    Li, Hui
    Chen, Jian
    Li, Ming-Kai
    Gu, Hong-Wei
    RARE METALS, 2025,
  • [5] Ferroelectricity in a quasiamorphous ultrathin BaTiO3 film
    Wang, J. L.
    Pancotti, A.
    Jegou, P.
    Niu, G.
    Gautier, B.
    Mi, Y. Y.
    Tortech, L.
    Yin, S.
    Vilquin, B.
    Barrett, N.
    PHYSICAL REVIEW B, 2011, 84 (20)
  • [6] Atomic-level simulation of ferroelectricity in oxide materials
    Sepliarsky, M.
    Asthagiri, A.
    Phillpot, S. R.
    Stachiotti, M. G.
    Migoni, R. L.
    CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE, 2005, 9 (03): : 107 - 113
  • [7] First Observation of Ferroelectricity in ∼1 nm Ultrathin Semiconducting BaTiO3 Films
    Lee, Seung Ran
    Baasandorj, Lkhagvasuren
    Chang, Jung Won
    Hwang, In Woong
    Kim, Jeong Rae
    Kim, Jeong-Gyu
    Ko, Kyung-Tae
    Shim, Seung Bo
    Choi, Min Woo
    You, Mujin
    Yang, Chan-Ho
    Kim, Jinhee
    Song, Jonghyun
    NANO LETTERS, 2019, 19 (04) : 2243 - 2250
  • [8] Atomic-level simulation of ferroelectricity in perovskite solid solutions
    Sepliarsky, M
    Phillpot, SR
    Wolf, D
    Stachiotti, MG
    Migoni, RL
    APPLIED PHYSICS LETTERS, 2000, 76 (26) : 3986 - 3988
  • [9] Ferroelectricity in Ultrathin BaTiO3 Films: Probing the Size Effect by Ultraviolet Raman Spectroscopy
    Tenne, D. A.
    Turner, P.
    Schmidt, J. D.
    Biegalski, M.
    Li, Y. L.
    Chen, L. Q.
    Soukiassian, A.
    Trolier-McKinstry, S.
    Schlom, D. G.
    Xi, X. X.
    Fong, D. D.
    Fuoss, P. H.
    Eastman, J. A.
    Stephenson, G. B.
    Thompson, C.
    Streiffer, S. K.
    PHYSICAL REVIEW LETTERS, 2009, 103 (17)
  • [10] Atomic-level simulation of ferroelectricity in oxides: Current status and opportunities
    Phillpot, Simon R.
    Sinnott, Susan B.
    Asthagiri, Aravind
    ANNUAL REVIEW OF MATERIALS RESEARCH, 2007, 37 : 239 - 270
12345