Chemically stable new MAX phase VSnC: 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 VSnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing MSnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of VSnC is exothermic and this compound is intrinsically stable in agreement with the experiment. VSnC has potential to be etched into 2D MXene. The new phase VSnC and existing phase NbSnC are damage tolerant. VSnC is elastically more anisotropic than TiSnC and less than the other MSnC phases. The electronic band structure and Fermi surface of VSnC indicate the possibility of occurrence of its superconductivity. VSnC is expected to be a promising TBC material like LuSnC. The radiation tolerance in VSnC is better than that in LuSnC.