期刊
NANO LETTERS
卷 15, 期 12, 页码 8277-8281出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.5b03835
关键词
transition-metal dinitrides; first-principles calculations; ferromagnetism; half-metal; two-dimensional materials
类别
资金
- NSFC [21203096, 11474165, 11374160, 11204137, 51522206]
- NSF of Jiangsu Province [BK20130031, BK20131420, BK2012392]
- Fundamental Research Funds for the Central Universities [30915011203]
- Shanghai Supercomputer Centre
- U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering [DE-FG02-96ER45579]
High-temperature ferromagnetic two-dimensional (2D) materials with flat surfaces have been a long-sought goal due to their potential in spintronics applications. Through comprehensive first-principles calculations, we show that the recently synthesized MoN, monolayer is such a material; it is ferromagnetic with a Curie temperature of nearly 420 K, which is higher than that of any flat 2D magnetic materials studied to date. This novel property, made possible by the electron-deficient nitrogen ions, render transition-metal dinitrides monolayers with unique electronic properties which can be switched from the ferromagnetic metals in MoN2, ZrN2, and TcN2 to half-metallic ones in YN2. Transition-metal dinitrides monolayers may, therefore, serve as good candidates for spintronics devices.
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