AuB2 in comparison to superconducting MgB2-an ab initio study

The noble metal diboride AuB2, a potential candidate for superconductor, is studied by an ab initio method in comparison to the superconducting MgB2. The results, described in terms of equilibrium lattice constants, bulk modulus, pressure derivative of bulk modulus and their in- and out-of-plane linear values, volume coefficient of Tc, density of states, band structure, show some similarity as well as dissimilarity between the behaviour of the two compounds. The implications for the behaviour are discussed.