A combined study of the equation of state of monazite-type lanthanum orthovanadate using in situ high-pressure diffraction and ab initio calculations.
(2014) In Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials 70(Pt 3). p.533-538- Abstract
- 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.... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/4529335
- author
- Ermakova, Olga ; López-Solano, Javier ; Minikayev, Roman ; Carlson, Stefan LU ; Kamińska, Agata ; Głowacki, Michał ; Berkowski, Marek ; Mujica, Andrés ; Muñoz, Alfonso and Paszkowicz, Wojciech
- organization
- publishing date
- 2014
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials
- volume
- 70
- issue
- Pt 3
- pages
- 533 - 538
- publisher
- Wiley-Blackwell
- external identifiers
-
- wos:000342899300001
- pmid:24892600
- scopus:84902103289
- pmid:24892600
- ISSN
- 2052-5206
- DOI
- 10.1107/S2052520614010816
- language
- English
- LU publication?
- yes
- id
- 728e3c3e-c7bb-42b5-bb34-39649b6ff97a (old id 4529335)
- date added to LUP
- 2016-04-01 10:36:15
- date last changed
- 2022-04-27 23:37:39
@article{728e3c3e-c7bb-42b5-bb34-39649b6ff97a,
abstract = {{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.}},
author = {{Ermakova, Olga and López-Solano, Javier and Minikayev, Roman and Carlson, Stefan and Kamińska, Agata and Głowacki, Michał and Berkowski, Marek and Mujica, Andrés and Muñoz, Alfonso and Paszkowicz, Wojciech}},
issn = {{2052-5206}},
language = {{eng}},
number = {{Pt 3}},
pages = {{533--538}},
publisher = {{Wiley-Blackwell}},
series = {{Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials}},
title = {{A combined study of the equation of state of monazite-type lanthanum orthovanadate using in situ high-pressure diffraction and ab initio calculations.}},
url = {{http://dx.doi.org/10.1107/S2052520614010816}},
doi = {{10.1107/S2052520614010816}},
volume = {{70}},
year = {{2014}},
}