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@ARTICLE{Paszkowicz:206288,
author = {Paszkowicz, Wojciech and Ermakova, Olga and López-Solano,
Javier and Mujica, Andres and Munoz, Alfonso and Minikayev,
Roman and Lathe, Christian and Gierlotka, Stanislaw and
Nikolaenko, Irina and Dabkowska, Hanna},
title = {{E}quation of state of zircon-and scheelite-type dysprosium
orthovanadates: a combined experimental and theoretical
study},
journal = {Journal of physics / Condensed matter},
volume = {26},
number = {2},
issn = {0953-8984},
address = {Bristol},
publisher = {IOP Publ.},
reportid = {PUBDB-2015-00793},
pages = {025401},
year = {2014},
abstract = {Dysprosium orthovanadate, DyVO4, belongs to a family of
zircon-type orthovanadates showing a phase transition to
scheelite-type structures at moderate pressures below 10
GPa. In the present study, the equations of state (EOSs) for
both these phases were determined for the first time using
high-pressure x-ray diffraction experiments and ab initio
calculations based on the density functional theory.
Structural parameters forscheelite-type DyVO4 were
calculated from x-ray powder diffraction data as well. The
high-pressure experiments were performed under
pseudo-hydrostatic conditions at pressures up to 8.44 GPa
and 5.5 GPa for the stable zircon-type and metastable
(quenched) scheelite-type samples, respectively. Assuming as
a compression model the Birch–Murnaghan EOS, we obtained
the EOS parameters for both phases. The experimental bulk
moduli .K0/ for zircon-type and scheelite-type DyVO4 are
118(4) GPa and 153(6) GPa, respectively. Theoretical
equations of state were determined by ab initio calculations
using the PBE exchange–correlation energy functional of
Perdew, Burke, and Ernzerhof. These calculations provide K0
values of 126.1 GPa and 142.9 GPa for zircon-type and
scheelite-type DyVO4, respectively. The reliability of the
present experimental and theoretical results is supported by
(i) the consistency between the values yielded by the two
methods (the discrepancy in K0 is as low as about $7\%$ for
each of the studied polymorphs) and (ii) their similarity to
results obtained under similar compression conditions
(hydrostatic orpseudo-hydrostatic) for other rare-earth
orthovanadates, such as YVO4 and TbVO4.},
cin = {DOOR},
ddc = {530},
cid = {I:(DE-H253)HAS-User-20120731},
pnm = {DORIS Beamline F2.1 (POF2-54G13) / ELISA - European Light
Sources Activities - Synchrotrons and Free Electron Lasers
(226716)},
pid = {G:(DE-H253)POF2-F2.1-20130405 / G:(EU-Grant)226716},
experiment = {EXP:(DE-H253)D-F2.1-20150101},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000328329700006},
pubmed = {pmid:24305496},
doi = {10.1088/0953-8984/26/2/025401},
url = {https://bib-pubdb1.desy.de/record/206288},
}