Two-dimensional superhard silicon nitrides with widely tunable bandgap, high carrier mobility and hole-doping-induced robust magnetism

• Published in: Nanoscale Vol. 15; no. 36; pp. 14912 - 14922
• Main Authors: Ma, Shengqian, Jiang, Jiaxin, Zou, Lanlan, Lin, Jiaqi, Lu, Ning, Zhuo, Zhiwen, Wu, Xiaojun, Li, Qunxiang
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 21.09.2023
• Subjects: Carrier mobility; Density functional theory; Doping; Electric fields; Electrons; Energy gap; Germanium; High temperature; Lead; Magnetism; Robustness; Room temperature; Silicon nitride; Spintronics; Thermal stability; Tin; Two dimensional materials; Unit cell

The search for new forms of the traditional bulk materials to enrich their interactions and properties is an attractive subject in two-dimensional (2D) materials. In this work, novel tetra-hexa-mixed coordinated 2D silicon nitrides (Si 3 N 4 ) and their analogues are systematically investigated via...