Department of Physics2024-11-0919990272-9172N/A2-s2.0-0032681475N/Ahttps://hdl.handle.net/20.500.14288/6610The C15 NbCr2 + V Laves phase ternary system is studied by using a first-principles, self-consistent, full-potential total energy method. Equilibrium lattice parameters, cohesive energies, density of states and formation energies of substitutional defects are calculated. Results of all these calculations show that in the C15 NbCr2 + V compounds, V atoms substitute Cr atoms only.PhysicsJournal Articlehttps://www.scopus.com/inward/record.uri?eid=2-s2.0-0032681475andpartnerID=40andmd5=f95456ddae022f7487c27c383aa9bb28N/A6090