First-principles studies of phase stability and the structural and dynamical properties of metal hydrides. Progress report, September 15, 1991--September 14, 1992

摘要

This report discusses the following topics: calculation of the Structural Properties of Yttrium; dynamical and pairing properties of (alpha)-YH(chi); electronic and structural properties of YH(sub 2) and YH(sub 3); phase diagram of hydrogen on Ru(000); peierls distortion in hexagonal YH(sub 3); and study of hydrogen in niobium and palladium.