Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Magnetoelectric properties of quantum paraelectric EuTiO3 materials on the strain effect

Zhou Wen-Liang Xia Kun Xu Da Zhong Chong-Gui Dong Zheng-Chao Fang Jing-Huai

Magnetoelectric properties of quantum paraelectric EuTiO3 materials on the strain effect

Zhou Wen-Liang, Xia Kun, Xu Da, Zhong Chong-Gui, Dong Zheng-Chao, Fang Jing-Huai
PDF
Get Citation
  • Because of the strong coupling between the magnetic and dielectric properties, the study of quantum paraelectric EuTiO3 has attracted more and more attention in both theoretical and experimental research recently. In this paper, the first principles based on the density functional theory within the generalized gradient approxiamtion is used to investigate the magnetic and electronic structure of quantum paraelectric EuTiO3, and to analyze the effects of the strain on the magnetic and strutural phase transition, in turn to discuss the possible magnetoelectric coupling mechanism of this material. The calculations show that EuTiO3 with the strain-free is in a paraelectric cubic and G-type antiferromagnetic state at low temperature, while appling either compressive or tensile strain along the c-axis to it, the balance of hybridization between Ti 3d and O 2p orbit will be breaken and EuTiO3 will transite from paraelectric and G-antiferromagnetic to ferroelectric-ferromagnetic structure as the strain is increased to a certain value. All those indicate the strong spin-lattice coupling effect in EuTiO3.
      Corresponding author: , chgzhong@ntu.edu.cn
    • Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 10974104, 50832002), the Qing Lan Project of Education Department of Jiangsu Province, China, and the Initializiing Funds Project on Scientific Research of Doctors in Nantong University.
    [1]

    Ramesh R, Spaldin N A 2007 Nature Mater 6 21

    [2]

    Wang K F, Liu J M, Ren Z F 2009 Adv. Phys. 58 321

    [3]

    Ma J, Hu J M, Li Z, Nan C W 2011 Adv. Mater. 23 1062

    [4]

    Lee J H, Rabe K M 2010 Phys. Rev. Lett. 104 207204

    [5]

    Zhong C G, Jiang Q, Fang J H, Jiang X F, Luo L J 2009 Acta Phys. Sin. 58 7227 (in Chinese) [仲崇贵, 蒋青, 方靖淮, 江学范, 罗礼进 2009 物理学报 58 7227]

    [6]

    Katsufuji T, Takagi H 2001 Phys. Rev. B 64 054415

    [7]

    Jiang Q, Wu H 2003 J. Appl. Phys. 93 2121

    [8]

    Jiang Q, Wu H 2002 Chin. Phys. 11 1303

    [9]

    Shvartsman V V, Borisov P, Kleemann W, Kamba S, Katsufuji T 2010 Phys. Rev. B 81 064426

    [10]

    Kamba S, Nuzhnyy D, Vaněk P, Savinov M, Knek K, Shen Z, Šantavá E, Maca K, Sadowski M, Petzelt J 2007 Europhys. Lett. 80 27002

    [11]

    Fennie C J, Rabe K M 2006 Phys. Rev. Lett.97 267602

    [12]

    Lee J H, Fang L, Vlahos E, Ke X, Jung Y W, Kourkoutis L F, Kim J W, Ryan P J, Heeg T, Roeckerath M, Goian V, Bernhagen M, Uecker R, Hammel P C, Rabe K M, Kamba S, Schubert J, Freeland J W, Muller D A, Fennie C J, Schiffer P, Gopalan V, Johnston-Halperin E, Schlom D G 2010 Nature 466 954

    [13]

    Sushkov A O, Eckel S, Lamoreaux S K 2010 Phys. Rev. A 81 022104

    [14]

    Rushchanskii K Z, Kamba S, Goian V, Vanek P, Savinov M, Prokleska J, Nuzhnyy D, Knzek K, Laufek F, Eckel S, Lamoreaux S K, Sushkov A O, Lezaic M, Spaldin N A 2010 Nature Mater. 9 649

    [15]

    van Mechelen J L M, van der Marel D, Crassee I, Kolodiazhnyi T 2011 Phys. Rev. Lett. 106 217601

    [16]

    Morozovska A N, Glinchuk M D, Behera R K, Zaylichniy B Y, Deo C S, Eliseev E A 2011 arXiv: 1107.1785

    [17]

    Li T X, Zhang M, Wang G M, Guo H R, Li K S, Yan H 2011 Acta Phys. Sin. 60 087501 (in Chinese) [李廷先, 张铭, 王光明, 郭宏瑞, 李扩社, 严辉 2011 物理学报 60 087501]

    [18]

    Hlinka J, Ostapchuk T, Nuzhnyy D, Petzelt J, Kuzel P, Kadlec C, Vanek P, Ponomareva I, Bellaiche L 2008 Phys. Rev. Lett. 101 167402

    [19]

    Choi K J, Biegalski M, Li Y L, Sharan A, Schubert J, UeckerR, Reiche P, Chen Y B, Pan X Q, Gopalan V, Chen L Q, Schlom D G and Eom C B 2004 Science 306 1005

    [20]

    Xue W D, Chen Z Y, Yang C, Li Y R 2005 Acta Phys. Sin. 54 857 (in Chinese) [薛卫东, 陈召勇, 杨春, 李言荣 2005 物理学报 54 857]

    [21]

    Ranjan R, Nabi H S and Pentcheva R 2007 J Phys: Condens Matter. 19 406217

    [22]

    Yang J J, Zhao Y G, Tian H F, Luo L B, Zhang H Y, He Y J, Luo H S 2009 Appl. Phys. Lett. 94 212504

    [23]

    Sondena R, Ravindran P, Stonlen S, Grande T, Hanfland M 2006 Phys. Rev. B 74 144102

    [24]

    Ravindran P, Kjekshus A, Fjellvåg H, Delin A and Eriksson O 2002 Phys. Rev. B 65 06445

    [25]

    Blochl P E 1994 Phys. Rev. B 50 17953

    [26]

    Kresse G, Joubert D 1999 Phys. Rev. B 59 1758

    [27]

    Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865

  • [1]

    Ramesh R, Spaldin N A 2007 Nature Mater 6 21

    [2]

    Wang K F, Liu J M, Ren Z F 2009 Adv. Phys. 58 321

    [3]

    Ma J, Hu J M, Li Z, Nan C W 2011 Adv. Mater. 23 1062

    [4]

    Lee J H, Rabe K M 2010 Phys. Rev. Lett. 104 207204

    [5]

    Zhong C G, Jiang Q, Fang J H, Jiang X F, Luo L J 2009 Acta Phys. Sin. 58 7227 (in Chinese) [仲崇贵, 蒋青, 方靖淮, 江学范, 罗礼进 2009 物理学报 58 7227]

    [6]

    Katsufuji T, Takagi H 2001 Phys. Rev. B 64 054415

    [7]

    Jiang Q, Wu H 2003 J. Appl. Phys. 93 2121

    [8]

    Jiang Q, Wu H 2002 Chin. Phys. 11 1303

    [9]

    Shvartsman V V, Borisov P, Kleemann W, Kamba S, Katsufuji T 2010 Phys. Rev. B 81 064426

    [10]

    Kamba S, Nuzhnyy D, Vaněk P, Savinov M, Knek K, Shen Z, Šantavá E, Maca K, Sadowski M, Petzelt J 2007 Europhys. Lett. 80 27002

    [11]

    Fennie C J, Rabe K M 2006 Phys. Rev. Lett.97 267602

    [12]

    Lee J H, Fang L, Vlahos E, Ke X, Jung Y W, Kourkoutis L F, Kim J W, Ryan P J, Heeg T, Roeckerath M, Goian V, Bernhagen M, Uecker R, Hammel P C, Rabe K M, Kamba S, Schubert J, Freeland J W, Muller D A, Fennie C J, Schiffer P, Gopalan V, Johnston-Halperin E, Schlom D G 2010 Nature 466 954

    [13]

    Sushkov A O, Eckel S, Lamoreaux S K 2010 Phys. Rev. A 81 022104

    [14]

    Rushchanskii K Z, Kamba S, Goian V, Vanek P, Savinov M, Prokleska J, Nuzhnyy D, Knzek K, Laufek F, Eckel S, Lamoreaux S K, Sushkov A O, Lezaic M, Spaldin N A 2010 Nature Mater. 9 649

    [15]

    van Mechelen J L M, van der Marel D, Crassee I, Kolodiazhnyi T 2011 Phys. Rev. Lett. 106 217601

    [16]

    Morozovska A N, Glinchuk M D, Behera R K, Zaylichniy B Y, Deo C S, Eliseev E A 2011 arXiv: 1107.1785

    [17]

    Li T X, Zhang M, Wang G M, Guo H R, Li K S, Yan H 2011 Acta Phys. Sin. 60 087501 (in Chinese) [李廷先, 张铭, 王光明, 郭宏瑞, 李扩社, 严辉 2011 物理学报 60 087501]

    [18]

    Hlinka J, Ostapchuk T, Nuzhnyy D, Petzelt J, Kuzel P, Kadlec C, Vanek P, Ponomareva I, Bellaiche L 2008 Phys. Rev. Lett. 101 167402

    [19]

    Choi K J, Biegalski M, Li Y L, Sharan A, Schubert J, UeckerR, Reiche P, Chen Y B, Pan X Q, Gopalan V, Chen L Q, Schlom D G and Eom C B 2004 Science 306 1005

    [20]

    Xue W D, Chen Z Y, Yang C, Li Y R 2005 Acta Phys. Sin. 54 857 (in Chinese) [薛卫东, 陈召勇, 杨春, 李言荣 2005 物理学报 54 857]

    [21]

    Ranjan R, Nabi H S and Pentcheva R 2007 J Phys: Condens Matter. 19 406217

    [22]

    Yang J J, Zhao Y G, Tian H F, Luo L B, Zhang H Y, He Y J, Luo H S 2009 Appl. Phys. Lett. 94 212504

    [23]

    Sondena R, Ravindran P, Stonlen S, Grande T, Hanfland M 2006 Phys. Rev. B 74 144102

    [24]

    Ravindran P, Kjekshus A, Fjellvåg H, Delin A and Eriksson O 2002 Phys. Rev. B 65 06445

    [25]

    Blochl P E 1994 Phys. Rev. B 50 17953

    [26]

    Kresse G, Joubert D 1999 Phys. Rev. B 59 1758

    [27]

    Perdew J P, Burke K, Ernzerhof M 1996 Phys. Rev. Lett. 77 3865

  • [1] Jiang Dong-Dong, Gu Yan, Feng Yu-Jun, Du Jin-Mei. Phase transformation and dielectric properties of lead zirconate stannate titanate ferroelectric ceramic under hydraulic compression. Acta Physica Sinica, 2011, 60(10): 107703. doi: 10.7498/aps.60.107703
    [2] Deng Heng, Huang Chang, Xu Ling-Fang, Yang Chang-Ping. Magnetically correlated I-V nonlinearity and electrical transport property of the double-layered perovskite La1.8Ca1.2Mn2O7 compound. Acta Physica Sinica, 2010, 59(10): 7390-7395. doi: 10.7498/aps.59.7390
    [3] Wang Jiang-Duo, Dai Jian-Qing, Song Yu-Min, Zhang Hu, Niu Zhi-Hui. First-principles study of the lattice dynamics, dielectric and piezoelectric response in BaTiO3/SrTiO3 (1:1) superlattice. Acta Physica Sinica, 2014, 63(12): 126301. doi: 10.7498/aps.63.126301
    [4] Li Cheng-Di, Zhao Jing-Long, Zhong Chong-Gui, Dong Zheng-Chao, Fang Jing-Huai. First-principles study of magnetic ground state of quantum paraelectric EuTiO3 material. Acta Physica Sinica, 2014, 63(8): 087502. doi: 10.7498/aps.63.087502
    [5] Wang Qin, Wang Yi-Lun, Wang Hao, Sun Hui, Mao Xiang-Yu, Chen Xiao-Bing. Effect of doping Pr on multiferroic properties of Bi5Fe0.5Co0.5Ti3O15 ceramics at room temperature. Acta Physica Sinica, 2014, 63(14): 147701. doi: 10.7498/aps.63.147701
    [6] He Li-Min, Ji Yu, Lu Yi, Wu Hong-Ye, Zhang Xue-Feng, Zhao Jian-Jun. Magnetic and transport properties of layered perovskite manganites (La1-xEu x)4/3Sr5/3Mn2O7(x=0, 0.15). Acta Physica Sinica, 2014, 63(14): 147503. doi: 10.7498/aps.63.147503
    [7] Wan Su-Lei, He Li-Min, Xiang Jun-You, Wang Zhi-Guo, Xing Ru, Zhang Xue-Feng, Lu Yi, Zhao Jian-Jun. Magnetic and transport properties of bilayered perovskite manganites (La0.8Eu0.2)4/3Sr5/3Mn2O7. Acta Physica Sinica, 2014, 63(23): 237501. doi: 10.7498/aps.63.237501
    [8] Qi Wei-Hua, Ma Li, Li Zhuang-Zhi, Tang Gui-De, Wu Guang-Heng. Dependences of valence electronic structure on magnetic moment and electrical resistivity of metals. Acta Physica Sinica, 2017, 66(2): 027101. doi: 10.7498/aps.66.027101
    [9] Han Li-An, Chen Chang-Le, Dong Hui-Ying, Wang Jian-Yuan, Gao Guo-Mian, Luo Bing-Cheng. Magnetic and electrical properties of layered perovskite La1.3Sr1.7Mn1-xCuxO7. Acta Physica Sinica, 2008, 57(1): 541-544. doi: 10.7498/aps.57.541
    [10] Gao Shuang-Hong, Ren Zhao-Yu, Guo Ping, Zheng Ji-Ming, Du Gong-He, Wan Li-Juan, Zheng Lin-Lin. Magnetic properties and excited states of thegraphene quantum dots. Acta Physica Sinica, 2011, 60(4): 047105. doi: 10.7498/aps.60.047105
  • Citation:
Metrics
  • Abstract views:  2353
  • PDF Downloads:  745
  • Cited By: 0
Publishing process
  • Received Date:  02 August 2011
  • Accepted Date:  10 May 2012
  • Published Online:  05 May 2012

Magnetoelectric properties of quantum paraelectric EuTiO3 materials on the strain effect

    Corresponding author: chgzhong@ntu.edu.cn
  • 1. School of Sciences, Nantong University, Nantong, 226007, China;
  • 2. School of Physical Sciences and Technology, Suzhou University, Suzhou 215006, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant Nos. 10974104, 50832002), the Qing Lan Project of Education Department of Jiangsu Province, China, and the Initializiing Funds Project on Scientific Research of Doctors in Nantong University.

Abstract: Because of the strong coupling between the magnetic and dielectric properties, the study of quantum paraelectric EuTiO3 has attracted more and more attention in both theoretical and experimental research recently. In this paper, the first principles based on the density functional theory within the generalized gradient approxiamtion is used to investigate the magnetic and electronic structure of quantum paraelectric EuTiO3, and to analyze the effects of the strain on the magnetic and strutural phase transition, in turn to discuss the possible magnetoelectric coupling mechanism of this material. The calculations show that EuTiO3 with the strain-free is in a paraelectric cubic and G-type antiferromagnetic state at low temperature, while appling either compressive or tensile strain along the c-axis to it, the balance of hybridization between Ti 3d and O 2p orbit will be breaken and EuTiO3 will transite from paraelectric and G-antiferromagnetic to ferroelectric-ferromagnetic structure as the strain is increased to a certain value. All those indicate the strong spin-lattice coupling effect in EuTiO3.

Reference (27)

Catalog

    /

    返回文章
    返回