A first-principles high-pressure study of Hf2PX (X=B, C, N)

New members of MAX family Hf2PX (X=B, C, N) were studied by first-principles calculations under pressure range of 0-100 GPa. Their structural, elastic and electronic properties were reported. The results show that they are energetically stable at zero pressure and mechanically stable under pressure range from 0 to 100 GPa. It reveals that Hf2PB>Hf2PC>Hf2PN for the structural parameters of a and V, and Hf2PB