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.