title: A combined study of the equation of state of monazite-type lanthanum orthovanadate using in situ high-pressure diffraction and ab initio calculations.
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.
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Olga
authors.initials: O
authors.lastname: Ermakova
authors.affiliation: Departamento de Física Fundamental II, MALTA Consolider Team, and Instituto de Materiales y Nanotecnología, Universidad de La Laguna, 38205 Tenerife, Spain.
authors.forename: Javier
authors.initials: J
authors.lastname: López-Solano
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Roman
authors.initials: R
authors.lastname: Minikayev
authors.affiliation: MAX IV Laboratory, Lund University, SE-22100 Lund, Sweden.
authors.forename: Stefan
authors.initials: S
authors.lastname: Carlson
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Agata
authors.initials: A
authors.lastname: Kamińska
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Michał
authors.initials: M
authors.lastname: Głowacki
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Marek
authors.initials: M
authors.lastname: Berkowski
authors.affiliation: Departamento de Física Fundamental II, MALTA Consolider Team, and Instituto de Materiales y Nanotecnología, Universidad de La Laguna, 38205 Tenerife, Spain.
authors.forename: Andrés
authors.initials: A
authors.lastname: Mujica
authors.affiliation: Departamento de Física Fundamental II, MALTA Consolider Team, and Instituto de Materiales y Nanotecnología, Universidad de La Laguna, 38205 Tenerife, Spain.
authors.forename: Alfonso
authors.initials: A
authors.lastname: Muñoz
authors.affiliation: Institute of Physics, Polish Academy of Sciences, al. Lotników 32/46, Warszawa 02-668, Poland.
authors.forename: Wojciech
authors.initials: W
authors.lastname: Paszkowicz
keywords: density-functional theory; equation of state; high-pressure diffraction