Lattice defects containing hydrogen and helium in Pd were studied by positron model calculations using density functional theory in its local density approximation implementation. A correlation between the positron lifetime, positron ground stage energy and number atoms of H and He was established. It was found that the value of positron lifetime for perfect Pd lattice was 106 ps and for monovacancy was 184 ps which corresponds to the experimental values.

Positron Lifetime Calculation of Defect in Palladium Containing Hydrogen and Helium. T.Troev, E.Popov, P.Staykov, L.Petrov, K.Berovski, S.Peneva, N.Nankov: Journal of Physics - Conference Series, 2010, 207[1], 012038