Chemically stable new MAX phase V(2)SnC: a damage and radiation tolerant TBC material

Using density functional theory, the phase stability and physical properties, including structural, electronic, mechanical, thermal and vibrational with defect processes, of a newly synthesized 211 MAX phase V(2)SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M(2)SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V(2)SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V(2)SnC has potential to be etched into 2D MXene. The new phase V(2)SnC and existing phase Nb(2)SnC are damage tolerant. V(2)SnC is elastically more anisotropic than Ti(2)SnC and less than the other M(2)SnC phases. The electronic band structure and Fermi surface of V(2)SnC indicate the possibility of occurrence of its superconductivity. V(2)SnC is expected to be a promising TBC material like Lu(2)SnC. The radiation tolerance in V(2)SnC is better than that in Lu(2)SnC.