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  1. Three-dimensional auxetic properties in group V–VI binary monolayer crystals X 3 M 2 (X = S, Se; M = N, P, As)

    The mechanical behaviors of a series of two-dimensional (2-D) crystals X 3 M 2 (X = S, Se; M = N, P, As) are explored through density functional theory (DFT) calculations.
  2. Strain and defect engineering on phase transition of monolayer black phosphorene

    Under biaxial strain, SW-2 defect can move inward the phase boundary of α-P and β-P remarkably and promote the phase transition from α-P to β-P, serving as an excellent ‘phase transition catalyzer’.

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