Structural phase transition of TmGa2 at high pressure
Identifieur interne : 001389 ( Pascal/Curation ); précédent : 001388; suivant : 001390Structural phase transition of TmGa2 at high pressure
Auteurs : U. Schwarz [Allemagne] ; S. Brauninger [Allemagne] ; Y. Grin [Allemagne] ; K. Syassen [Allemagne]Source :
- Journal of alloys and compounds [ 0925-8388 ] ; 1996.
Descripteurs français
- Pascal (Inist)
English descriptors
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Abstract
Copyright (c) 1997 Elsevier Science S.A. All rights reserved. We have investigated the structural properties of the intermetallic compound TmGa2 under hydrostatic pressures up to 45GPa by means of X-ray powder diffraction in diamond anvil cells. The orthorhombic low-pressure modification of the KHg2 (CeCu2) type undergoes a structural phase transition at 21(3)GPa into a high-pressure modification of the AlB2 structure type. TB-LMTO-ASA calculations and use of the electron localization function confirm that the structural change from a three-dimensional gallium network to a layered structure is associated with a transition from a tetrahedral homonuclear gallium network to a trigonal planar one.
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<front><div type="abstract" xml:lang="en">Copyright (c) 1997 Elsevier Science S.A. All rights reserved. We have investigated the structural properties of the intermetallic compound TmGa<sub>2</sub>
under hydrostatic pressures up to 45GPa by means of X-ray powder diffraction in diamond anvil cells. The orthorhombic low-pressure modification of the KHg<sub>2</sub>
(CeCu<sub>2</sub>
) type undergoes a structural phase transition at 21(3)GPa into a high-pressure modification of the AlB<sub>2</sub>
structure type. TB-LMTO-ASA calculations and use of the electron localization function confirm that the structural change from a three-dimensional gallium network to a layered structure is associated with a transition from a tetrahedral homonuclear gallium network to a trigonal planar one.</div>
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