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BiFeO3 is the only material with ferroelectric Curie temperature asnd Néel temperature higher than room temperature, making it one of the most well-studied multiferroic material. Based on an ab initio...

BiFeO3 is one of the most widely studied multiferroic materials, because of its large spontaneous polarization at room temperature, as well as ferroelasticity and antiferromagnetism. Using ab initio evolutionary algorithm,...

Negative Poisson's ratio materials have the advantages of good shear resistance, dent resistance, and fracture resistance. Thus, they have great application potential in the manufacturing field with high requirements for material mechanical flexibility. However, negative Poisson's ratio materials are relatively rare. In this paper, the first principles calculation is used to study the single-layer P2/ m-P phosphorene. It is found that when −5% to 5% strain is applied along the zigzag (Y) direction, there is a negative Poisson's ratio effect along the Z direction, and Poisson's ratio is −0.288, which is about ten times that of the single-layer black phosphorus (the negative Poisson's ratio of the single-layer black phosphorus is −0.027). Compared with black phosphorene, it has more potential applications in wearable and impact resistant equipment.

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