作者
Shijun Zhao, Wei Kang, Jianming Xue
发表日期
2014/3/31
期刊
Applied Physics Letters
卷号
104
期号
13
出版商
AIP Publishing
简介
Tuning the electronic and magnetic properties of a material through strain engineering is an effective strategy to enhance the performance of electronic and spintronic devices. In this paper, first-principles calculations based on density functional theory are carried out to investigate the electronic and magnetic properties of M 2 C (M= Hf, Nb, Sc, Ta, Ti, V, Zr, known as MXenes) subjected to biaxial symmetric mechanical strains. At the strain-free state, all these MXenes exhibit no spontaneous magnetism except for Ti 2 C and Zr 2 C which show a magnetic moment of 1.92 and 1.25 μ B/unit, respectively. As the tensile strain increases, the magnetic moments of MXenes are greatly enhanced and a transition from nonmagnetism to ferromagnetism is observed for those nonmagnetic MXenes at zero strains. The most distinct transition is found in Hf 2 C, in which the magnetic moment is elevated to 1.5 μ B/unit at a strain of 1 …
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