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A combined study of the equation of state of monazite-type lanthanum orthovanadate using in situ high-pressure diffraction and ab initio calculations.

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Author

  • Olga Ermakova
  • Javier López-Solano
  • Roman Minikayev
  • Stefan Carlson
  • Agata Kamińska
  • Michał Głowacki
  • Marek Berkowski
  • Andrés Mujica
  • Alfonso Muñoz
  • Wojciech Paszkowicz

Summary, in English

Lanthanum orthovanadate (LaVO4) is the only stable monazite-type rare-earth orthovanadate. In the present paper the equation of state of LaVO4 is studied using in situ high-pressure powder diffraction at room temperature, and ab initio calculations within the framework of the density functional theory. The parameters of a second-order Birch-Murnaghan equation of state, i.e. those fitted to the experimental and theoretical data, are found to be in perfect agreement - in particular, the bulk moduli are almost identical, with values of 106 (1) and 105.8 (5) GPa, respectively. In agreement with recent reported experimental data, the compression is shown to be anisotropic. Its nature is comparable to that of some other monazite-type compounds. The softest compression direction is determined.

Department/s

Publishing year

2014

Language

English

Pages

533-538

Publication/Series

Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials

Volume

70

Issue

Pt 3

Document type

Journal article

Publisher

Wiley-Blackwell

Topic

  • Physical Sciences
  • Natural Sciences

Status

Published

ISBN/ISSN/Other

  • ISSN: 2052-5206