Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations: Fid-Bau Portal

Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations

Casillas-Trujillo, L. / Xu, H. / McMurray, J.W. / Shin, D. / Baldinozzi, G. / Sickafus, K.E.

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Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations

Casillas-Trujillo, L. / Xu, H. / McMurray, J.W. / Shin, D. / Baldinozzi, G. / Sickafus, K.E.

Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations

Casillas-Trujillo, L. / Xu, H. / McMurray, J.W. / Shin, D. / Baldinozzi, G. / Sickafus, K.E.

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Order at Subito €

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Document information

Title:

Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations

Contributors:

Casillas-Trujillo, L. (author) / Xu, H. (author) / McMurray, J.W. (author) / Shin, D. (author) / Baldinozzi, G. (author) / Sickafus, K.E. (author)

Published in:

Computational materials science ; 123 ; 201-213

Publication date:

2016-01-01

Size:

13 pages

ISSN:

0927-0256

Type of media:

Article (Journal)

Type of material:

Language:

Unknown

Classification:

DDC: 620.1

Casillas-Trujillo, L. / Xu, H. / McMurray, J. W. et al. | British Library Online Contents | 2016

Structure and cation ordering in La2UO6, Ce2UO6, LaUO4, and CeUO4 by first principles calculations

Casillas-Trujillo, L. / Xu, H. / McMurray, J.W. et al. | British Library Online Contents | 2016

First Principles Calculations of Solute Ordering in Mg-Zn-Y Alloys

Yamamoto, Y. / Sakamoto, Y. / Masaki, Y. et al. | British Library Online Contents | 2013

Effects of the cation ordering in Mg:Al and Zn:Al layered double hydroxides on crystallographic and spectroscopical properties by means of first principles calculations

Pimentel, Carlos / Pérez de la Luz, Alexander / Hernández-Laguna, Alfonso et al. | Elsevier | 2022

Cation polarizability from first-principles: Sn2+

Bernasconi, L. / Wilson, M. / Madden, P. A. | British Library Online Contents | 2001