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We report a structural study of the Weyl semimetals TaAs, TaP, NbP, and NbAs,utilizing diffraction techniques (single crystal x-ray diffraction and energydispersive spectroscopy) and imaging techniques (transmission electronmicroscopy/scanning transmission electron microscopy). We observe defects ofvarious degrees, leading to non-stoichiometric single crystals of all foursemimetals. While TaP displays a large pnictide deficiency with compositionTaP$_{0.83(3)}$, and stacking faults accompanied by anti-site disorder and sitevacancies, TaAs displays transition metal deficiency with compositionTa$_{0.92(2)}$As and a high density of stacking faults. NbP also displayspnictide deficiency, yielding composition NbP$_{0.95(2)}$, and lastly, NbAsdisplay very little deviation from a 1:1 composition, NbAs$_{1.00(3)}$, and istherefore recommended to serve as the model compound for these semimetals.

Non-stoichiometry and Defects in the Weyl Semimetals TaAs, TaP, NbP, and NbAs