Elastic constants of La, LaH2, and LaH3

descriptionPublicationkeyboard_double_arrow_right Article 25 Aug 2012 English Publisher:Springer Science and Business Media LLCJournal:Monatshefte für Chemie - Chemical Monthly, volume 143, pages 1,325-1,328 (issn: 0026-9247, eissn: 1434-4475,

Authors: Schöllhammer, Gunther; Herzig, Peter;

doi: 10.1007/s00706-012-0775-8

Elastic constants of La, LaH2, and LaH3

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Abstract

The elastic constants of cubic close-packed lanthanum and its stoichiometric interstitial hydrides LaH2 and LaH3 with cubic structures of the fluorite type and the D0(3) type, respectively, were calculated from first principles. Whereas the cubic structure has to be assumed to be indeed the ground-state structure of the dihydride, an orthorhombic distortion was proposed for the trihydride. Hence, the elastic constants were calculated for the orthorhombic distorted structure in addition.

Related Organizations

University of Vienna
Austria

Keywords

104017 Physical chemistry, 104017 Physikalische Chemie

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