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arXiv · 1805.07538

High Curie temperature half metallic 2D M2Se3 (M = Co, Ni, and Pd) monolayers with superior mechanical flexibility

Peng Lv·Gang Tang·Chao Yang·Jianming Deng·Yanyu Liu·Xueyun Wang·Xianqiao Wang·Jiawang Hong
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Abstract

Pursuing two-dimensional (2D) intrinsic ferromagnetism with high Curie temperature and great mechanical flexibility has attracted great interest in flexible spintronics. In the present work, we carried out a density functional theory (DFT) investigation on the 2D M2Se3 (M=Co, Ni and Pd) monolayers to understand their structural stabilities, electronic, magnetic and mechanical properties. Our results show that the Co2Se3 monolayer exhibits a fascinating half-metallic ferromagnetism with high Curie temperature (>700K). In addition, due to their unique buckling hinge-like structure, M2Se3 monolayers possess the large out-of-plane negative Poisson's ratio (NPR) and superior mechanical flexibility evidenced by their unusual critical strain two times greater than the well-known 2D materials. These findings imply that 2D M2Se3 family is the promising materials for the applications in the flexible and high-density spintronic nanodevices.

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Peng Lv, Gang Tang, Chao Yang, Jianming Deng, Yanyu Liu, Xueyun Wang, Xianqiao Wang, Jiawang Hong. 2018-05-19. High Curie temperature half metallic 2D M2Se3 (M = Co, Ni, and Pd) monolayers with superior mechanical flexibility. https://doi.org/10.1088/2053-1583%2Faadb5a

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