A combined study of the equation of state of monazite‐type lanthanum orthovanadate using in situ high‐pressure diffraction and ab initio calculations. Issue 3 (1st June 2014)

• Record Type: Journal Article
• Authors: Ermakova, Olga; López‐Solano, Javier; Minikayev, Roman; Carlson, Stefan; Kamińska, Agata; Głowacki, Michał; Berkowski, Marek; Mujica, Andrés; Muñoz, Alfonso; Paszkowicz, Wojciech
• Is Part Of: Acta crystallographica. Volume 70:Issue 3(2014:Jun.)
• Page Start: 533
• Page End: 538
• Publication Date: 2014-06-01
• DOI: 10.1107/S2052520614010816
• Languages: English
• ISSNs: 2052-5206

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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 <italic>in situ</italic> high‐pressure powder diffraction at room temperature, and <italic>ab initio</italic> calculations within the framework of the density functional theory. The parameters of a second‐order Birch–Murnaghan equation of state, <italic>i.e.</italic> 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.</p> </abstract>