单层
自旋电子学
磁性
材料科学
磁矩
吸附
金属
石墨烯
氮化硼
结晶学
居里温度
氮化物
凝聚态物理
自旋态
铁磁性
纳米技术
化学
物理化学
图层(电子)
物理
冶金
作者
Wencheng Tang,Minglei Sun,Jin Yu,Jyh‐Pin Chou
标识
DOI:10.1016/j.apsusc.2017.08.210
摘要
The electronic and magnetic properties of graphene-like gallium nitride (g-GaN) with adsorbed H, B, C, N, O, and F atoms were investigated using spin-polarized first-principles calculations. We found that H, B, C, N, O, and F atoms can be chemisorbed on a g-GaN monolayer. The total magnetic moments of 1.0, 2.0, 1.0, and 1.0 μB are founded in B-, C-, N-, and F-adsorbed g-GaN monolayers, respectively. In addition, a half-metallic state appears in the N- and F-adsorbed g-GaN, while a spin-polarized semiconducting state appears in other g-GaN monolayers after the adsorption of B or C. These findings demonstrate that the magnetic properties of g-GaN can be effectively tuned by the adsorption of non-metal atoms. In particular, the F-adsorbed system that exhibits a half-metallic state and high Curie temperature of 367 K has great potential for application in spintronics.
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