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

Marchetti, Jorge Mario; Segui Osorio, Silvina Inda Maria; Gervasoni, Juana Luisa; Juan, Alfredo; Abriata, Jose Pablo

info:eu-repo/semantics/article

Fecha

2006-08

Registro en:

Marchetti, Jorge Mario; Segui Osorio, Silvina Inda Maria; Gervasoni, Juana Luisa; Juan, Alfredo; Abriata, Jose Pablo; Volume and heat of solution of hydrogen in rare earths from proton screening charges; Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 67; 8; 8-2006; 1692-1696

0022-3697

http://hdl.handle.net/11336/71037

CONICET Digital

CONICET

https://repositorioslatinoamericanos.uchile.cl/handle/2250/4391728

Autor

Marchetti, Jorge Mario

Segui Osorio, Silvina Inda Maria

Gervasoni, Juana Luisa

Juan, Alfredo

Abriata, Jose Pablo

Institución

Consejo Nacional de Investigaciones Científicas y Tecnológicas (Argentina)

Resumen

In this work we determine some fundamental microscopic and macroscopic properties of rare earth-hydrogen (RE-H) systems. The behaviour 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. © 2006 Elsevier Ltd. All rights reserved.

Materias

A. METALS

C. AB INITIO CALCULATIONS

D. DEFECTS

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