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Structural phase transition of TmGa2 at high pressure

Identifieur interne : 002D99 ( Main/Merge ); précédent : 002D98; suivant : 002E00

Structural phase transition of TmGa2 at high pressure

Auteurs : U. Schwarz [Allemagne] ; S. Br Uninger [Allemagne] ; Yu. Grin [Allemagne] ; K. Syassen [Allemagne]

Source :

Journal of Alloys and Compounds [ 0925-8388 ] ; 1996.

RBID : ISTEX:C4F1B848F4193F8E8AA72D8FC36C16F03FE3C8DA

English descriptors

KwdEn :
- Ambient, Ambient pressure, Axial ratio, Bulk modulus, Covalent bonds, Crystal structure, Diffraction diagram, Electron density, Experimental data, Experimental results, First order, Full profile refinements, Fwhm, Gallium atoms, Hexagonal, Hexagonal symmetry, High pressure modification, High pressures, Hydrostatic pressures, Interlayer distance, Linear extrapolation, Metrical changes, Modification, Peak splitting, Phase transition, Positional parameters, Powder diagrams, Pressure range, Significant deviations, Structural change, Structural phase transition, Structural properties, Tmga, Transition pressure, Type structure, Unit cell.
Teeft :
- Ambient, Ambient pressure, Axial ratio, Bulk modulus, Covalent bonds, Crystal structure, Diffraction diagram, Electron density, Experimental data, Experimental results, First order, Full profile refinements, Fwhm, Gallium atoms, Hexagonal, Hexagonal symmetry, High pressure modification, High pressures, Hydrostatic pressures, Interlayer distance, Linear extrapolation, Metrical changes, Modification, Peak splitting, Phase transition, Positional parameters, Powder diagrams, Pressure range, Significant deviations, Structural change, Structural phase transition, Structural properties, Tmga, Transition pressure, Type structure, Unit cell.

Abstract

Abstract: We have investigated the structural properties of the intermetallic compound TmGa2 under hydrostatic pressures up to 45 GPa 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.

Url:

https://api.istex.fr/document/C4F1B848F4193F8E8AA72D8FC36C16F03FE3C8DA/fulltext/pdf

DOI: 10.1016/S0925-8388(96)02492-9

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Le document en format XML

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<author><name sortKey="Grin, Yu" sort="Grin, Yu" uniqKey="Grin Y" first="Yu." last="Grin">Yu. Grin</name>
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<term>Crystal structure</term>
<term>Diffraction diagram</term>
<term>Electron density</term>
<term>Experimental data</term>
<term>Experimental results</term>
<term>First order</term>
<term>Full profile refinements</term>
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<term>Hexagonal symmetry</term>
<term>High pressure modification</term>
<term>High pressures</term>
<term>Hydrostatic pressures</term>
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<term>Linear extrapolation</term>
<term>Metrical changes</term>
<term>Modification</term>
<term>Peak splitting</term>
<term>Phase transition</term>
<term>Positional parameters</term>
<term>Powder diagrams</term>
<term>Pressure range</term>
<term>Significant deviations</term>
<term>Structural change</term>
<term>Structural phase transition</term>
<term>Structural properties</term>
<term>Tmga</term>
<term>Transition pressure</term>
<term>Type structure</term>
<term>Unit cell</term>
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<term>Bulk modulus</term>
<term>Covalent bonds</term>
<term>Crystal structure</term>
<term>Diffraction diagram</term>
<term>Electron density</term>
<term>Experimental data</term>
<term>Experimental results</term>
<term>First order</term>
<term>Full profile refinements</term>
<term>Fwhm</term>
<term>Gallium atoms</term>
<term>Hexagonal</term>
<term>Hexagonal symmetry</term>
<term>High pressure modification</term>
<term>High pressures</term>
<term>Hydrostatic pressures</term>
<term>Interlayer distance</term>
<term>Linear extrapolation</term>
<term>Metrical changes</term>
<term>Modification</term>
<term>Peak splitting</term>
<term>Phase transition</term>
<term>Positional parameters</term>
<term>Powder diagrams</term>
<term>Pressure range</term>
<term>Significant deviations</term>
<term>Structural change</term>
<term>Structural phase transition</term>
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<front><div type="abstract" xml:lang="en">Abstract: We have investigated the structural properties of the intermetallic compound TmGa2 under hydrostatic pressures up to 45 GPa 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.</div>
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Structural phase transition of TmGa2 at high pressure

Structural phase transition of TmGa2 at high pressure

Source :

English descriptors

Abstract

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