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

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.

Palabras clave: A. Metals , C. Ab Initio Calculations , D. Defects

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Excepto donde se diga explícitamente, este item se publica bajo la siguiente descripción: Atribución-NoComercial-SinDerivadas 2.5 Argentina (CC BY-NC-ND 2.5 AR)

Identificadores

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

DOI: https://dx.doi.org/10.1016/j.jpcs.2006.03.005

URL: https://www.sciencedirect.com/science/article/pii/S0022369706002198

Colecciones

Articulos(IFISUR)
Articulos de INSTITUTO DE FISICA DEL SUR

Articulos(PLAPIQUI)
Articulos de PLANTA PILOTO DE INGENIERIA QUIMICA (I)

Citación

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

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