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On the Ferromagnetism and Band Tailoring of CrI 3 Single Layer
Author(s) -
Gao Yuan,
Wang Jing,
Li Zhiping,
Yang Jinjin,
Xia Meirong,
Hao Xianfeng,
Xu Yuanhui,
Gao Faming
Publication year - 2019
Publication title -
physica status solidi (rrl) – rapid research letters
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.786
H-Index - 68
eISSN - 1862-6270
pISSN - 1862-6254
DOI - 10.1002/pssr.201800410
Subject(s) - ferromagnetism , spintronics , condensed matter physics , materials science , monolayer , electron , conduction electron , metal , layer (electronics) , nanotechnology , thermal conduction , physics , quantum mechanics , metallurgy , composite material
CrI 3 single layer, as a two‐dimensional magnet, is of great interest for next generation ultra‐thin spintronics. In this letter, based on first principles calculation, the electronic structure and magnetic behavior of CrI 3 single layer are studied. The extremely strong Cr 3d–I 5p hybridization, which is responsible for the exceptional ferromagnetic behavior and the highest magnetic ordering temperature among the CrX 3 (X = Cl, Br, I) family, can be ascribed to the impetuous covalency of iodine. An insulator to half metal transition can be regulated by the strategy to form a Cr defect in the pristine monolayer and this unique electron state is independent of the defect concentration and the value of electron correlation. Meanwhile, the half metal becomes an itinerant ferromagnet mediated by I 5p conduction electron, a potential candidate for real application.