中国物理B ›› 2012, Vol. 21 ›› Issue (10): 107502-107502.doi: 10.1088/1674-1056/21/10/107502

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇    下一篇

Multiferroic phase transitions in manganites RMnO3: A two-orbital double exchange simulation

陶永梅a b, 林林a, 董帅a, 刘俊明a   

  1. a Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China;
    b Jiangsu Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500, China
  • 收稿日期:2012-02-16 修回日期:2012-02-24 出版日期:2012-09-01 发布日期:2012-09-01
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 51031004, 11004027, and 11074113), the National Basic Research Program of China (Grant Nos. 2011CB922101 and 2009CB929501), and the Priority Academic Program Development of Jiangsu Provincial Higher Education Institutions, China.

Multiferroic phase transitions in manganites RMnO3: A two-orbital double exchange simulation

Tao Yong-Mei (陶永梅)a b, Lin Lin (林林)a, Dong Shuai (董帅)a, Liu Jun-Ming (刘俊明)a   

  1. a Laboratory of Solid State Microstructures, Nanjing University, Nanjing 210093, China;
    b Jiangsu Laboratory of Advanced Functional Materials, Changshu Institute of Technology, Changshu 215500, China
  • Received:2012-02-16 Revised:2012-02-24 Online:2012-09-01 Published:2012-09-01
  • Contact: Liu Jun-Ming E-mail:liujm@nju.edu.cn
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant Nos. 51031004, 11004027, and 11074113), the National Basic Research Program of China (Grant Nos. 2011CB922101 and 2009CB929501), and the Priority Academic Program Development of Jiangsu Provincial Higher Education Institutions, China.

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摘要： The semi-quantum two-orbital exchange model is used to investigate the effect of small rare-earth ion substitution on orthorhombic RMnO3 with A-type antiferromagnetic order, using the Monte Carlo algorithm, exact diagonalization, and zero-temperature optimization approaches. It is revealed that the substitution results in a rich multiferroic phase diagram where the coexisting A-type antiferromagnetic phase and spiral spin phase, pure spiral spin phase, coexisting spiral spin phase, the E-type antiferromagnetic phase, and the pure E-type antiferromagnetic phase emerge in sequence. The multiferroic phase transitions modulate substantially the electric polarization, which is consistent qualitatively with recent experiments.

关键词: multiferroic phase, R-site doping, two-orbital exchange model

Abstract: The semi-quantum two-orbital exchange model is used to investigate the effect of small rare-earth ion substitution on orthorhombic RMnO3 with A-type antiferromagnetic order, using the Monte Carlo algorithm, exact diagonalization, and zero-temperature optimization approaches. It is revealed that the substitution results in a rich multiferroic phase diagram where the coexisting A-type antiferromagnetic phase and spiral spin phase, pure spiral spin phase, coexisting spiral spin phase, the E-type antiferromagnetic phase, and the pure E-type antiferromagnetic phase emerge in sequence. The multiferroic phase transitions modulate substantially the electric polarization, which is consistent qualitatively with recent experiments.

Key words: multiferroic phase, R-site doping, two-orbital exchange model

中图分类号:  (Magnetic oxides)

  • 75.47.Lx
64.75.Gh (Phase separation and segregation in model systems (hard spheres, Lennard-Jones, etc.)) 75.30.Kz (Magnetic phase boundaries (including classical and quantum magnetic transitions, metamagnetism, etc.)) 64.70.Rh (Commensurate-incommensurate transitions)