2D auxetic material with intrinsic ferromagnetism: a copper halide (CuCl2) monolayer

Autor:	Haifei Qin, Zhongfang Chen, Yuanzheng Chen, Hongyan Wang, Jiao Chen, Bai Sun, Yuxiang Ni, Yongliang Tang
Rok vydání:	2021
Předmět:	Materials science Auxetics Spintronics Condensed matter physics Doping General Physics and Astronomy chemistry.chemical_element Copper chemistry Ferromagnetism Transition metal Monolayer Curie temperature Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 23:22078-22085
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d1cp02834k
Popis:	The discovery of ferromagnetism in monolayer transition metal halides exemplified by CrI3 has opened a new avenue in the field of two-dimensional (2D) magnetic materials, and more such 2D materials are waiting to be explored. Herein, using an unbiased structure search combined with first-principles calculations, we have identified a novel CuCl2 monolayer, which exhibits not only intrinsic ferromagnetism but also auxetic mechanical properties originating from the interplay of lattice and Cu–Cl tetrahedron symmetries. The predicted Curie temperature of CuCl2 reaches ∼47 K, and its ferromagnetism is associated with the strong hybridization between the Cu 3d and Cl 3p states in the configuration. Moreover, upon biaxial tensile strain or carrier doping, the CuCl2 monolayer can be converted from ferromagnetic to non-magnetic and from half-metal to metal. These properties endow this CuCl2 monolayer with great potential for applications in auxetic/spintronic nanodevices.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::5dc93f4489c01911a264a599cacb4b54 https://doi.org/10.1039/d1cp02834k Zobrazit plný text záznamu