Volume and heat of solution of hydrogen in rare earths from proton screening charges

J. M. MARCHETTI; S.SEGUI; J. L. GERVASONI; A. JUAN; J. P. ABRIATA

JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS

Elsevier

Lugar: Amsterdam; Año: 2006 vol. 67 p. 1692 - 1696

0022-3697

In this work we determine some fundamental microscopic and macroscopic properties of rare earth-hydrogen (RE-H) systems. The behavior of the electronic density variation of RE-H systems is obtained, using a program based on the density functional formalism. This information allows us to calculate the volume of solution of hydrogen in rare earths, as well as their heat of solution, and to compare with experimental results.