Journal of Synthetic Crystals, Volume. 51, Issue 1, 92(2022)
Transition Metal (Sc, V, Zr) Doping Effects on the Electromagnetic Properties of Ti2N Monolayer MXene Nanosheet
Two-dimensional MXene nanosheets have attracted much attention due to its large surface area ratio and high electron mobility. The effects of transition metal (Sc, V, Zr) doping on the electromagnetic properties of Ti2N monolayer MXene nanosheet were studied systematically by first-principles calculation. The results show that the binding energies of all transition-metal-doped systems are negative and the structures are stable. The formation energy of the Ti2N-Sc system is -2.242 eV, and the structure is easy to form. The magnetic moments of Ti2N-Sc and Ti2N-Zr systems increase after doping. In addition, the Ti2N-Sc system retains a high spin polarization rate of 84.9%, which can be a potential candidate for spintronic applications.
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ZHOU Tingyan, ZHAO Min, YANG Kun, JIA Weihai, HUANG Haishen, WU Bo. Transition Metal (Sc, V, Zr) Doping Effects on the Electromagnetic Properties of Ti2N Monolayer MXene Nanosheet[J]. Journal of Synthetic Crystals, 2022, 51(1): 92
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Received: Sep. 22, 2021
Accepted: --
Published Online: Mar. 2, 2022
The Author Email: Tingyan ZHOU (18285217512@163.com)
CSTR:32186.14.