Prediction of intrinsic two-dimensional ferroelectrics in In 2 Se 3 and other III 2 -VI 3 van der Waals materials
作者： Wenjun Ding , Jianbao Zhu , Zhe Wang , Yanfei Gao , Di Xiao
DOI: 10.1038/NCOMMS14956
关键词:
摘要: Interest in two-dimensional (2D) van der Waals materials has grown rapidly across multiple scientific and engineering disciplines in recent years. However, ferroelectricity, the presence of a spontaneous electric polarization, which is important in many practical applications, has rarely been reported in such materials so far. Here we employ first-principles calculations to discover a branch of the 2D materials family, based on In2Se3 and other III2-VI3 van der Waals materials, that exhibits room-temperature ferroelectricity with reversible spontaneous …
nature.com
harvard.edu
sci-hub.se 参考文章(36)
D. D. Fong, Ferroelectricity in Ultrathin Perovskite Films Science. ,vol. 304, pp. 1650- 1653 ,(2004) , 10.1126/SCIENCE.1098252
Hisao Miyazawa, Suezo Sugaike, Phase Transition of In 2 Se 3 Journal of the Physical Society of Japan. ,vol. 12, pp. 312- 312 ,(1957) , 10.1143/JPSJ.12.312
D. Lee, H. Lu, Y. Gu, S.- Y. Choi, S.- D. Li, S. Ryu, T. R. Paudel, K. Song, E. Mikheev, S. Lee, S. Stemmer, D. A. Tenne, S. H. Oh, E. Y. Tsymbal, X. Wu, L.- Q. Chen, A. Gruverman, C. B. Eom, Emergence of room-temperature ferroelectricity at reduced dimensions Science. ,vol. 349, pp. 1314- 1317 ,(2015) , 10.1126/SCIENCE.AAA6442
P. E. Blöchl, Projector augmented-wave method Physical Review B. ,vol. 50, pp. 17953- 17979 ,(1994) , 10.1103/PHYSREVB.50.17953
G. Kresse, D. Joubert, From ultrasoft pseudopotentials to the projector augmented-wave method Physical Review B. ,vol. 59, pp. 1758- 1775 ,(1999) , 10.1103/PHYSREVB.59.1758
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Xiaodong Xu, Wang Yao, Di Xiao, Tony F Heinz, None, Spin and pseudospins in layered transition metal dichalcogenides Nature Physics. ,vol. 10, pp. 343- 350 ,(2014) , 10.1038/NPHYS2942
Yuanbo Zhang, Tsung-Ta Tang, Caglar Girit, Zhao Hao, Michael C. Martin, Alex Zettl, Michael F. Crommie, Y. Ron Shen, Feng Wang, Direct observation of a widely tunable bandgap in bilayer graphene Nature. ,vol. 459, pp. 820- 823 ,(2009) , 10.1038/NATURE08105
M. Dawber, K. M. Rabe, J. F. Scott, Physics of thin-film ferroelectric oxides Reviews of Modern Physics. ,vol. 77, pp. 1083- 1130 ,(2005) , 10.1103/REVMODPHYS.77.1083
Aliaksandr V. Krukau, Oleg A. Vydrov, Artur F. Izmaylov, Gustavo E. Scuseria, Influence of the exchange screening parameter on the performance of screened hybrid functionals. Journal of Chemical Physics. ,vol. 125, pp. 224106- 224106 ,(2006) , 10.1063/1.2404663