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dc.contributor.authorVAITHEESWARAN G.en_GB
dc.contributor.authorKANCHANA V.en_GB
dc.contributor.authorHEATHMAN STEPHENen_GB
dc.contributor.authorIDIRI Moniqueen_GB
dc.contributor.authorLE BIHAN T.en_GB
dc.contributor.authorSVANE A.en_GB
dc.contributor.authorDELINE A.en_GB
dc.contributor.authorJOHANSSON B.en_GB
dc.date.accessioned2010-02-25T14:46:33Z-
dc.date.available2007-08-13en_GB
dc.date.available2010-02-25T14:46:33Z-
dc.date.issued2007en_GB
dc.date.submitted2007-08-13en_GB
dc.identifier.citationPHYSICAL REVIEW B vol. 75 p. 184108-1 184108-7en_GB
dc.identifier.urihttp://publications.jrc.ec.europa.eu/repository/handle/JRC38170-
dc.description.abstractThe high-pressure structural behavior of lanthanum monochalcogenides is investigated by theory and experiment. Theory comprises density-functional calculations of LaS, LaSe, and LaTe with the general gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. The experimental studies consist of high-pressure angle dispersive x-ray-diffraction investigations of LaS and LaSe up to a maximum pressure of 41 GPa. A structural phase transition from the NaCl-type to CsCl-type crystal structure is found to occur in all cases. The experimental transition pressures are 27–28 and 19 GPa for LaS and LaSe, respectively, while the calculated transition pressures are 29, 21, and 10 GPa for LaS, LaSe, and LaTe, respectively. The calculated ground-state properties such as equilibrium lattice constant, bulk modulus and its pressure derivative, and Debye temperatures are in good agreement with experimental results. Elastic constants are predicted from the calculations.en_GB
dc.description.sponsorshipJRC.E.6-Actinides researchen_GB
dc.format.mediumPrinteden_GB
dc.languageESTen_GB
dc.publisherAMERICAN PHYSICAL SOCen_GB
dc.relation.ispartofseriesJRC38170en_GB
dc.titleElastic Constants and High-pressure Structural Transitions in Lanthanum Monochalcogenides from Experiment and Theoryen_GB
dc.typeArticles in periodicals and booksen_GB
JRC Directorate:Nuclear Safety and Security

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