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Modeling and predicting responses of magnetoelectric materials

  • Ben Xu (a1) and Ce-Wen Nan (a2)


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.



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1.Manipatruni, S., Nikonov, D.E., Young, I.A., Nat. Phys. 14, 5 (2018).
2.Nan, C.W., Bichurin, M.I., Dong, S.X., Viehland, D., Srinivasan, G., J. Appl. Phys. 103, 031101 (2008).
3.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).
4.Dong, S., Liu, J.M., Cheong, S.W., Ren, Z., Adv. Phys. 64, 519 (2015).
5.Rondinelli, J.M., Spaldin, N.A., Adv. Mater. 23, 3363 (2011).
6.Tsymbal, E.Y., Kohlstedt, H., Science 313, 181 (2006).
7.Hu, J.M., Duan, C.G., Nan, C.W., Chen, L.Q., NPJ Comput. Mater. 3, 18 (2017).
8.Hu, J.M., Chen, L.Q., Nan, C.W., Adv. Mater. 28, 15 (2016).
9.Hu, J.M., Li, Z., Chen, L.Q., Nan, C.W., Nat. Commun. 2, 553 (2011).
10.Hu, J.M., Yang, T., Wang, J., Huang, H., Zhang, J., Chen, L.Q., Nan, C.W., Nano Lett . 15, 616 (2015).
11.Wang, J.J., Hu, J.M., Peng, R.C., Gao, Y., Shen, Y., Chen, L.Q., Nan, C.W., Sci. Rep. 5, 10459 (2015).
12.Peng, R.C., Hu, J.M., Chen, L.Q., Nan, C.W., NPG Asia Mater . 9, e404 (2017).
13.Miehe, C., Ethiraj, G., Comput. Methods Appl. Mech. Eng. 245, 331 (2012).
14.Seymour, M., Sanches, F., Elder, K., Provatas, N., Phys. Rev. B Condens. Matter 92, 184109 (2015).
15.Alster, E., Montiel, D., Thornton, K., Voorhees, P.W., Phys. Rev. Mater. 1, 060801 (2017).
16.Asadi, E., Asle Zaeem, M., Baskes, M.I., JOM 66, 429 (2014).
17.Prosandeev, S., Kornev, I.A., Bellaiche, L., Phys. Rev. B Condens. Matter 83, 020102(R) (2011).
18.Ren, W., Bellaiche, L., Phys. Rev. B Condens. Matter 82, 113403 (2010).
19.Wang, D., Weerasinghe, J., Bellaiche, L., Phys. Rev. Lett. 109, 067203 (2012).
20.Brown, I.D., Chem. Rev. 109, 6858 (2009).
21.Graf, M., Sepliarsky, M., Stachiotti, M., Tinte, S., Ferroelectrics 461, 61 (2014).
22.Liu, S., Grinberg, I., Rappe, A.M., J. Phys. Condens. Matter 25, 102202 (2013).
23.Qi, Y., Liu, S., Grinberg, I., Rappe, A.M., Phys. Rev. B Condens. Matter 94, 134308 (2016).
24.Xu, R., Liu, S., Grinberg, I., Karthik, J., Damodaran, A.R., Rappe, A.M., Martin, L.W., Nat. Mater. 14, 79 (2015).
25.Takenaka, H., Grinberg, I., Liu, S., Rappe, A.M., Nature 546, 391 (2017).
26.Graf, M., Sepliarsky, M., Stachiotti, M.G., Phys. Rev. B Condens. Matter 94, 054101 (2016).
27.Hlinka, J., Pasciak, M., Korbel, S., Marton, P., Phys. Rev. Lett. 119, 057604 (2017).
28.Salje, E.K.H., Wang, X., Ding, X., Scott, J.F., Adv. Funct. Mater. 27, 1700367 (2017).
29.Tranchida, J., Plimpton, S.J., Thibaudeau, P., Thompson, A.P., J. Comput. Phys. 372, 406 (2018).
30.Ma, P.W., Dudarev, S.L., Woo, C.H., Comput. Phys. Commun. 207, 350 (2016).
31.Hellsvik, J., Thonig, D., Modin, K., Iuşan, D., Bergman, A., Eriksson, O., Bergqvist, L., Delin, A., Condens. Matter Mater. Sci. (2018),
32.Perera, D., Eisenbach, M., Nicholson, D.M., Stocks, G.M., Landau, D.P., Phys. Rev. B Condens. Matter 93, 060402(R) (2016).
33.Beaujouan, D., Thibaudeau, P., Barreteau, C., Phys. Rev. B Condens. Matter 86, 174409 (2012).
34.Perera, D., Nicholson, D.M., Eisenbach, M., Stocks, G.M., Landau, D.P., Phys. Rev. B Condens. Matter 95, 014431 (2017).
35.Bousquet, E., Spaldin, N.A., Delaney, K.T., Phys. Rev. Lett. 106, 107202 (2011).
36.Íñiguez, J., Phys. Rev. Lett. 101, 117201 (2008).
37.Du, Y., Ding, H.C., Sheng, L., Savrasov, S.Y., Wan, X., Duan, C.G., J. Phys. Condens. Matter 26, 025503 (2014).
38.Liu, J., Vanderbilt, D., Phys. Rev. B Condens. Matter 92, 245138 (2015).
39.Wojdel, J.C., Íñiguez, J., Phys. Rev. Lett. 105, 037208 (2010).
40.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).
41.Xiang, H.J., Guennou, M., Íñiguez, J., Kreisel, J., Bellaiche, L., Phys. Rev. B Condens. Matter 96, 054102 (2017).
42.Varignon, J., Bristowe, N.C., Ghosez, P., Phys. Rev. Lett. 116, 057602 (2016).
43.Jiang, H., Int. J. Quantum Chem. 115, 722 (2015).
44.Nourafkan, R., Kotliar, G., Tremblay, A.M.S., Phys. Rev. B Condens. Matter 90, 220405(R) (2014).
45.Puggioni, D., Giovannetti, G., Capone, M., Rondinelli, J.M., Phys. Rev. Lett. 115, 087202 (2015).
46.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).
47.Young, J., Rondinelli, J.M., Chem. Mater. 25, 4545 (2013).
48.Bristowe, N.C., Varignon, J., Fontaine, D., Bousquet, E., Ghosez, P., Nat. Commun. 6, 6677 (2015).
49.Zhao, H.J., Bellaiche, L., Chen, X.M., Íñiguez, J., Nat. Commun. 8, 14025 (2017).
50.Weng, Y., Lin, L., Dagotto, E., Dong, S., Phys. Rev. Lett. 117, 037601 (2016).
51.Shimada, T., Xu, T., Araki, Y., Wang, J., Kitamura, T., Nano Lett . 17, 2674 (2017).
52.García-Fernández, P., Wojdeł, J.C., Íñiguez, J., Junquera, J., Phys. Rev. B Condens. Matter 93, 195137 (2016).
53.Escorihuela-Sayalero, C., Wojdeł, J.C., Íñiguez, J., Phys. Rev. B Condens. Matter 95, 094115 (2017).
54.Botu, V., Batra, R., Chapman, J., Ramprasad, R., J. Phys. Chem. C 121, 511 (2016).
55.Zhang, L., Han, J., Wang, H., Car, R., W. E, Phys. Rev. Lett. 120, 143001 (2018).
56.Li, L., Yang, Y., Zhang, D., Ye, Z.-G., Jesse, S., Kalinin, S.V., Vasudevan, R.K., Sci. Adv. 4, eaap8672 (2018).
57.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).
58.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).
59.Balachandran, P.V., Young, J., Lookman, T., Rondinelli, J.M., Nat. Commun. 8, 14282 (2017).
60.Balachandran, P.V., Emery, A.A., Gubernatis, J.E., Lookman, T., Wolverton, C., Zunger, A., Phys. Rev. Mater. 2, 043802 (2018).


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Modeling and predicting responses of magnetoelectric materials

  • Ben Xu (a1) and Ce-Wen Nan (a2)


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