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Two-Dimensional Nodal-Loop Semimetal in Monolayer Zn4C2

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Abstract

Nodal-loop semimetals are novel quantum materials that have attracted considerable research interest from scholars for their fascinating properties due to the band crossing characteristic. Nevertheless, nodal loop semimetals in two-dimensional (2D) lattices are quite rare. Here, we report our new discovery of a Zn4C2 monolayer with a P4/mmm symmetry tetragonal lattice that possesses a robust Dirac nodal-loop state, using first-principles calculations. Further calculations show that the gapless nodal-loop is protected by the horizontal mirror symmetry, which can be well maintained at external strains between -8% and 8%, and is also robust against the choice of Ueff for correlation effect and the choice of functional. The results of this paper reveal a new type of novel 2D Dirac nodal-loop material, which provides a new potential material for high-speed electronic devices.

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Acknowledgments

This work was supported by the National Natural Science Foundation of China (Grant No. 12004137), Shandong Provincial Natural Science Foundation (Grant No. ZR2020QA052), National Natural Science Foundation of China (Grant No. 11974145), Shandong Provincial Natural Science Foundation (Grant No. ZR2020ZD28).

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Authors and Affiliations

  1. Spintronics Institute and School of Physics and Technology, University of Jinan, Jinan, 250022, Shandong, People’s Republic of China

    Qian Xia, Qiang Cao, Sheng-Shi Li & Wei-Xiao Ji

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Xia, Q., Cao, Q., Li, SS. et al. Two-Dimensional Nodal-Loop Semimetal in Monolayer Zn4C2. J. Electron. Mater. 52, 477–482 (2023). https://doi.org/10.1007/s11664-022-10015-z

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