Theoretical Investigation on Occurrence of Unconventional Superconductivity in Mg(1-x)TxB2 Compounds

Abstract

The structural, bonding, magnetic, electronic, elastic and thermoelectric nature of superconducting material namely MgB 2 , with hexagonal structure (space group is 191) are studied by first principle calculation. The optimized lattice parameters of MgB 2 are a=b=3.084289 Ǻ and c= 3.51527 Ǻ and the electron phonon coupling constant (λ), Debye temperature, critical temperature, Seebeck coefficient, electrical resistivity and the elastic constants (C 11 , C 12, C 13, C 33 , C 55 ) are calculated and agreed well with available outcome. To predict other possible superconducting materials belong to MgB 2 family, Mg is further doped with transition element Titanium (Ti) and analyzed. Copyright © VBRI Press.