Chemically stable new MAX phase V2SnC: a damage and radiation tolerant TBC material

Abstract

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 V₂SnC are investigated for the first time. The obtained results are compared with those found in the literature for other existing M₂SnC (M = Ti, Zr, Hf, Nb, and Lu) phases. The formation of V₂SnC is exothermic and this compound is intrinsically stable in agreement with the experiment. V₂SnC has potential to be etched into 2D MXene. The new phase V₂SnC and existing phase Nb₂SnC are damage tolerant. V₂SnC is elastically more anisotropic than Ti₂SnC and less than the other M₂SnC phases. The electronic band structure and Fermi surface of V₂SnC indicate the possibility of occurrence of its superconductivity. V₂SnC is expected to be a promising TBC material like Lu₂SnC. The radiation tolerance in V₂SnC is better than that in Lu₂SnC.