Jean-Yves Raty
Lawrence Livermore National Laboratory
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Publication
Featured researches published by Jean-Yves Raty.
Journal of Physics: Condensed Matter | 2003
Jean-Yves Raty; Jean-Pierre Gaspard; C. Bichara
In this study, we perform first-principles molecular dynamics simulations of the eutectic alloy Ge15Te85 at five different densities and temperatures. We obtain structures in agreement with the available diffraction data and obtain a new view of the molten Ge chalcogenides. We show that the anomalous volume contraction observed in the liquid 30 K above the eutectic temperature corresponds to a significant change of the Ge–Te partial structure factor. The detailed structural analysis shows that volume variations observed upon melting in Ge15Te85, as in liquid GeSe and GeTe, can be explained in terms of the competition between two types of local environment of the germanium atoms. A symmetrical coordination octahedron is entropically favoured at high temperature, while an asymmetrical octahedron resulting from the local manifestation of the Peierls distortion is electronically favoured at lower temperatures.
Physical Review Letters | 2003
Jean-Yves Raty; Giulia Galli; C. Bostedt; Tony van Buuren; Louis J. Terminello
Physical Review Letters | 2005
Jean-Yves Raty; Francois Gygi; Giulia Galli
Physical Review B | 2002
Jean-Yves Raty; Vitaliy Godlevsky; Jean-Pierre Gaspard; C. Bichara; M. Bionducci; R. Bellissent; R. Ceolin; James R. Chelikowsky; Philippe Ghosez
Journal of Electroanalytical Chemistry | 2005
Jean-Yves Raty; Giulia Galli
Archive | 2001
James R. Chelikowsky; Jeffrey J. Derby; Vitaliy Godlevsky; Manish Jain; Jean-Yves Raty
Archive | 2003
Jean-Yves Raty; Giulia Galli
Archive | 2002
Christophe Bichara; Jean-Pierre Gaspard; Jean-Yves Raty
Archive | 2002
Jean-Yves Raty; Giulia Galli; Anthony W. van Buuren; Christoph F. O. Bostedt; Louis J. Terminello
Ninth International Community for Composites Engineering, San Diego, CA (US), 07/01/2002--07/06/2002 | 2002
Jean-Yves Raty; T. van Buuren; Giulia Galli