First‑principles DFT calculations systematically investigate the structural, electronic, elastic, thermodynamic, and optical properties of the complete BiOX (X = F, Cl, Br, I) family. All compounds adopt a tetragonal
P
4/
nmm
layered structure, with lattice constants increasing monotonically with halogen size...
Peng-Ju Li, Xiong Zhang, Chao Wang et al.· ChemistrySelect· 0 citations
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