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Jin, Yuan-Jun; Wang, Rui; Zhao, Jin-Zhu; Du, Yong-Ping; Zheng, Can-Di; Gan, Li-Yong; Liu, Jun-Feng; Xu, Hu; Tong, S. Y
Nanoscale, 09/2017, Letnik: 9, Številka: 35Journal Article
Using first-principles calculations, we predict a family group of two-dimensional semimetals MX (M = Pd, Pt; X = S, Se, Te), which has a zig-zag type mono-layer structure in the Pmma (no. 41) layer group. Band structure analysis reveals that node-line features are caused by band inversion and the inversion exists even in the absence of spin-orbital-coupling. First-principles calculations show the robust lattice stability of these predicted materials. This work provides the possibility of making a group of novel two-dimensional materials with semimetal features. Using first-principles calculations, we predict a family group of two-dimensional semimetals MX (M = Pd, Pt; X = S, Se, Te), which has a zig-zag type mono-layer structure in the Pmma (no. 41) layer group.
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