Localized and delocalized models in the theory of polarization: perovskite oxides

被引：6
|
作者：
Turik, AV [1 ]
Khasabov, AG [1 ]
机构：
[1] Rostov State Univ, Dept Phys, Rostov On Don 344090, Russia
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 1998年 / 10卷 / 11期
关键词：
D O I：
10.1088/0953-8984/10/11/011
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
Possibilities of working out the theory of polarization in perovskite-type oxides in frameworks of localized and delocalized models are analysed. Born effective charges are used as a criterion of correlating these models. It is shown that taking into account gradients of effective electric fields on anions and high electric permittivity ensures the adequate description of polarization in these crystals by using the Slater localized (static) model. The results of our calculations in the framework of the Slater model are given and compared with ab initio calculation data.
引用
收藏
页码：2477 / 2482
页数：6
相关论文
共 50 条
  • [31] Entanglement conductance as a characterization of a delocalized-localized phase transition in free fermion models
    Pouranvari, Mohammad
    Abouie, Jahanfar
    PHYSICAL REVIEW B, 2019, 100 (19)
  • [32] Localized and delocalized states in pyramidal molecules
    Gonzalo, I
    NEW DEVELOPMENTS ON FUNDAMENTAL PROBLEMS IN QUANTUM PHYSICS, 1997, 81 : 159 - 162
  • [33] THEORY OF VIBRATIONALLY MEDIATED PHOTODISSOCIATION OF HOOH - DELOCALIZED TAILS IN A LOCALIZED WAVE-FUNCTION
    COLBERT, DT
    SIBERT, EL
    JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (10): : 6519 - 6545
  • [34] Ferromagnetism and ferroelectricity in a superlattice of antiferromagnetic perovskite oxides without ferroelectric polarization
    Rout, Paresh C.
    Ray, Avijeet
    Schwingenschlogl, Udo
    NPJ COMPUTATIONAL MATERIALS, 2023, 9 (01)
  • [35] Enhanced polarization and abnormal flexural deformation in bent freestanding perovskite oxides
    Cai, Songhua
    Lun, Yingzhuo
    Ji, Dianxiang
    Lv, Peng
    Han, Lu
    Guo, Changqing
    Zang, Yipeng
    Gao, Si
    Wei, Yifan
    Gu, Min
    Zhang, Chunchen
    Gu, Zhengbin
    Wang, Xueyun
    Addiego, Christopher
    Fang, Daining
    Nie, Yuefeng
    Hong, Jiawang
    Wang, Peng
    Pan, Xiaoqing
    NATURE COMMUNICATIONS, 2022, 13 (01)
  • [36] Enhanced polarization and abnormal flexural deformation in bent freestanding perovskite oxides
    Songhua Cai
    Yingzhuo Lun
    Dianxiang Ji
    Peng Lv
    Lu Han
    Changqing Guo
    Yipeng Zang
    Si Gao
    Yifan Wei
    Min Gu
    Chunchen Zhang
    Zhengbin Gu
    Xueyun Wang
    Christopher Addiego
    Daining Fang
    Yuefeng Nie
    Jiawang Hong
    Peng Wang
    Xiaoqing Pan
    Nature Communications, 13
  • [37] Improper electric polarization in simple perovskite oxides with two magnetic sublattices
    Zhao, Hong Jian
    Bellaiche, L.
    Chen, Xiang Ming
    Iniguez, Jorge
    NATURE COMMUNICATIONS, 2017, 8
  • [38] Ferromagnetism and ferroelectricity in a superlattice of antiferromagnetic perovskite oxides without ferroelectric polarization
    Paresh C. Rout
    Avijeet Ray
    Udo Schwingenschlögl
    npj Computational Materials, 9
  • [39] Improper electric polarization in simple perovskite oxides with two magnetic sublattices
    Hong Jian Zhao
    L. Bellaiche
    Xiang Ming Chen
    Jorge Íñiguez
    Nature Communications, 8
  • [40] Localized to itinerant electronic transitions in transition-metal oxides with the perovskite structure
    Goodenough, JB
    Zhou, JS
    CHEMISTRY OF MATERIALS, 1998, 10 (10) : 2980 - 2993
12345