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

• Published in: RSC advances 2020-12, Vol.10 (71), p.43783-43798
• Main Authors: Hadi, M A, Dahlqvist, M, Christopoulos, S-R G, Naqib, S H, Chroneos, A, Islam, A K M A
• Format: Article
• Language: English
• ISSN: 2046-2069; 2046-2069
• DOI: 10.1039/D0RA07730E

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