Hostname: page-component-8448b6f56d-c4f8m Total loading time: 0 Render date: 2024-04-19T19:27:21.469Z Has data issue: false hasContentIssue false

Modeling and predicting responses of magnetoelectric materials

Published online by Cambridge University Press:  09 November 2018

Ben Xu
Affiliation:
School of Materials Science and Engineering, Tsinghua University, China; xuben@mail.tsinghua.edu.cn
Ce-Wen Nan
Affiliation:
School of Materials Science and Engineering, Tsinghua University, China; cwnan@tsinghua.edu.cn
Get access

Abstract

Magnetoelectric (ME) materials exhibit cross-coupling effects between magnetization and polarization, by which one can manipulate the magnetization (or polarization) with an electric (or magnetic) field. To better understand the responses of ME materials and the coupling mechanisms involved, various simulation methods at different scales, ranging from electronic and atomic scale to the mesoscale, have been developed in the past decades. In this article, we summarize recent progress in modeling and predicting responses of ME materials, and present our perspectives on key issues that require further study, including multiscale simulation methods and approaches dealing with dynamic processes. The simulation methods have the potential to illuminate the dynamic processes in ME materials and device response to external fields and eventually be used for guidance for the data-driven computational design of new ME materials and devices.

Type
Materials for Strain-Mediated Magnetoelectric Systems
Copyright
Copyright © Materials Research Society 2018 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Manipatruni, S., Nikonov, D.E., Young, I.A., Nat. Phys. 14, 5 (2018).CrossRefGoogle Scholar
Nan, C.W., Bichurin, M.I., Dong, S.X., Viehland, D., Srinivasan, G., J. Appl. Phys. 103, 031101 (2008).CrossRefGoogle Scholar
Zhu, M., Nan, T., Peng, B., Zhang, Y., Zhou, Z., Yang, X., Ren, W., Sun, N.X., Liu, M., IEEE Trans. Magn. 53, 1 (2017).Google Scholar
Dong, S., Liu, J.M., Cheong, S.W., Ren, Z., Adv. Phys. 64, 519 (2015).CrossRefGoogle Scholar
Rondinelli, J.M., Spaldin, N.A., Adv. Mater. 23, 3363 (2011).CrossRefGoogle Scholar
Tsymbal, E.Y., Kohlstedt, H., Science 313, 181 (2006).CrossRefGoogle Scholar
Hu, J.M., Duan, C.G., Nan, C.W., Chen, L.Q., NPJ Comput. Mater. 3, 18 (2017).CrossRefGoogle Scholar
Hu, J.M., Chen, L.Q., Nan, C.W., Adv. Mater. 28, 15 (2016).CrossRefGoogle Scholar
Hu, J.M., Li, Z., Chen, L.Q., Nan, C.W., Nat. Commun. 2, 553 (2011).CrossRefGoogle Scholar
Hu, J.M., Yang, T., Wang, J., Huang, H., Zhang, J., Chen, L.Q., Nan, C.W., Nano Lett . 15, 616 (2015).CrossRefGoogle Scholar
Wang, J.J., Hu, J.M., Peng, R.C., Gao, Y., Shen, Y., Chen, L.Q., Nan, C.W., Sci. Rep. 5, 10459 (2015).CrossRefGoogle Scholar
Peng, R.C., Hu, J.M., Chen, L.Q., Nan, C.W., NPG Asia Mater . 9, e404 (2017).CrossRefGoogle Scholar
Miehe, C., Ethiraj, G., Comput. Methods Appl. Mech. Eng. 245, 331 (2012).CrossRefGoogle Scholar
Seymour, M., Sanches, F., Elder, K., Provatas, N., Phys. Rev. B Condens. Matter 92, 184109 (2015).CrossRefGoogle Scholar
Alster, E., Montiel, D., Thornton, K., Voorhees, P.W., Phys. Rev. Mater. 1, 060801 (2017).CrossRefGoogle Scholar
Asadi, E., Asle Zaeem, M., Baskes, M.I., JOM 66, 429 (2014).CrossRefGoogle Scholar
Prosandeev, S., Kornev, I.A., Bellaiche, L., Phys. Rev. B Condens. Matter 83, 020102(R) (2011).CrossRefGoogle Scholar
Ren, W., Bellaiche, L., Phys. Rev. B Condens. Matter 82, 113403 (2010).CrossRefGoogle Scholar
Wang, D., Weerasinghe, J., Bellaiche, L., Phys. Rev. Lett. 109, 067203 (2012).CrossRefGoogle Scholar
Brown, I.D., Chem. Rev. 109, 6858 (2009).CrossRefGoogle Scholar
Graf, M., Sepliarsky, M., Stachiotti, M., Tinte, S., Ferroelectrics 461, 61 (2014).CrossRefGoogle Scholar
Liu, S., Grinberg, I., Rappe, A.M., J. Phys. Condens. Matter 25, 102202 (2013).CrossRefGoogle Scholar
Qi, Y., Liu, S., Grinberg, I., Rappe, A.M., Phys. Rev. B Condens. Matter 94, 134308 (2016).CrossRefGoogle Scholar
Xu, R., Liu, S., Grinberg, I., Karthik, J., Damodaran, A.R., Rappe, A.M., Martin, L.W., Nat. Mater. 14, 79 (2015).CrossRefGoogle Scholar
Takenaka, H., Grinberg, I., Liu, S., Rappe, A.M., Nature 546, 391 (2017).CrossRefGoogle Scholar
Graf, M., Sepliarsky, M., Stachiotti, M.G., Phys. Rev. B Condens. Matter 94, 054101 (2016).CrossRefGoogle Scholar
Hlinka, J., Pasciak, M., Korbel, S., Marton, P., Phys. Rev. Lett. 119, 057604 (2017).CrossRefGoogle Scholar
Salje, E.K.H., Wang, X., Ding, X., Scott, J.F., Adv. Funct. Mater. 27, 1700367 (2017).CrossRefGoogle Scholar
Tranchida, J., Plimpton, S.J., Thibaudeau, P., Thompson, A.P., J. Comput. Phys. 372, 406 (2018).CrossRefGoogle Scholar
Ma, P.W., Dudarev, S.L., Woo, C.H., Comput. Phys. Commun. 207, 350 (2016).CrossRefGoogle Scholar
Hellsvik, J., Thonig, D., Modin, K., Iuşan, D., Bergman, A., Eriksson, O., Bergqvist, L., Delin, A., Condens. Matter Mater. Sci. (2018), https://arxiv.org/abs/1804.03119.Google Scholar
Perera, D., Eisenbach, M., Nicholson, D.M., Stocks, G.M., Landau, D.P., Phys. Rev. B Condens. Matter 93, 060402(R) (2016).CrossRefGoogle Scholar
Beaujouan, D., Thibaudeau, P., Barreteau, C., Phys. Rev. B Condens. Matter 86, 174409 (2012).CrossRefGoogle Scholar
Perera, D., Nicholson, D.M., Eisenbach, M., Stocks, G.M., Landau, D.P., Phys. Rev. B Condens. Matter 95, 014431 (2017).CrossRefGoogle Scholar
Bousquet, E., Spaldin, N.A., Delaney, K.T., Phys. Rev. Lett. 106, 107202 (2011).CrossRefGoogle Scholar
Íñiguez, J., Phys. Rev. Lett. 101, 117201 (2008).CrossRefGoogle Scholar
Du, Y., Ding, H.C., Sheng, L., Savrasov, S.Y., Wan, X., Duan, C.G., J. Phys. Condens. Matter 26, 025503 (2014).CrossRefGoogle Scholar
Liu, J., Vanderbilt, D., Phys. Rev. B Condens. Matter 92, 245138 (2015).CrossRefGoogle Scholar
Wojdel, J.C., Íñiguez, J., Phys. Rev. Lett. 105, 037208 (2010).CrossRefGoogle Scholar
Chen, P., Grisolia, M.N., Zhao, H.J., González-Vázquez, O.E., Bellaiche, L., Bibes, M., Liu, B.-G., Íñiguez, J., Phys. Rev. B Condens. Matter 97, 024113 (2018).CrossRefGoogle Scholar
Xiang, H.J., Guennou, M., Íñiguez, J., Kreisel, J., Bellaiche, L., Phys. Rev. B Condens. Matter 96, 054102 (2017).CrossRefGoogle Scholar
Varignon, J., Bristowe, N.C., Ghosez, P., Phys. Rev. Lett. 116, 057602 (2016).CrossRefGoogle Scholar
Jiang, H., Int. J. Quantum Chem. 115, 722 (2015).CrossRefGoogle Scholar
Nourafkan, R., Kotliar, G., Tremblay, A.M.S., Phys. Rev. B Condens. Matter 90, 220405(R) (2014).CrossRefGoogle Scholar
Puggioni, D., Giovannetti, G., Capone, M., Rondinelli, J.M., Phys. Rev. Lett. 115, 087202 (2015).CrossRefGoogle Scholar
Wang, X., Chai, Y., Zhou, L., Cao, H., Cruz, C.D., Yang, J., Dai, J., Yin, Y., Yuan, Z., Zhang, S., Yu, R., Azuma, M., Shimakawa, Y., Zhang, H., Dong, S., Sun, Y., Jin, C., Long, Y., Phys. Rev. Lett. 115, 087601 (2015).CrossRefGoogle ScholarPubMed
Young, J., Rondinelli, J.M., Chem. Mater. 25, 4545 (2013).CrossRefGoogle Scholar
Bristowe, N.C., Varignon, J., Fontaine, D., Bousquet, E., Ghosez, P., Nat. Commun. 6, 6677 (2015).CrossRefGoogle Scholar
Zhao, H.J., Bellaiche, L., Chen, X.M., Íñiguez, J., Nat. Commun. 8, 14025 (2017).CrossRefGoogle Scholar
Weng, Y., Lin, L., Dagotto, E., Dong, S., Phys. Rev. Lett. 117, 037601 (2016).CrossRefGoogle Scholar
Shimada, T., Xu, T., Araki, Y., Wang, J., Kitamura, T., Nano Lett . 17, 2674 (2017).CrossRefGoogle Scholar
García-Fernández, P., Wojdeł, J.C., Íñiguez, J., Junquera, J., Phys. Rev. B Condens. Matter 93, 195137 (2016).CrossRefGoogle Scholar
Escorihuela-Sayalero, C., Wojdeł, J.C., Íñiguez, J., Phys. Rev. B Condens. Matter 95, 094115 (2017).CrossRefGoogle Scholar
Botu, V., Batra, R., Chapman, J., Ramprasad, R., J. Phys. Chem. C 121, 511 (2016).CrossRefGoogle Scholar
Zhang, L., Han, J., Wang, H., Car, R., W. E, Phys. Rev. Lett. 120, 143001 (2018).CrossRefGoogle ScholarPubMed
Li, L., Yang, Y., Zhang, D., Ye, Z.-G., Jesse, S., Kalinin, S.V., Vasudevan, R.K., Sci. Adv. 4, eaap8672 (2018).CrossRefGoogle Scholar
Li, Q., Nelson, C.T., Hsu, S.L., Damodaran, A.R., Li, L.L., Yadav, A.K., McCarter, M., Martin, L.W., Ramesh, R., Kalinin, S.V., Nat. Commun. 8, 1468 (2017).CrossRefGoogle Scholar
Xue, D., Balachandran, P.V., Yuan, R., Hu, T., Qian, X., Dougherty, E.R., Lookman, T., Proc. Natl. Acad. Sci. U.S.A. 113, 13301 (2016).CrossRefGoogle Scholar
Balachandran, P.V., Young, J., Lookman, T., Rondinelli, J.M., Nat. Commun. 8, 14282 (2017).CrossRefGoogle Scholar
Balachandran, P.V., Emery, A.A., Gubernatis, J.E., Lookman, T., Wolverton, C., Zunger, A., Phys. Rev. Mater. 2, 043802 (2018).CrossRefGoogle Scholar