Mechanical properties of lithium molybdate single crystals, Li2MoO4, are studied from room temperature to 650 °C. Density functional theory calculations gave the seven elastic constants of the rhombohedral crystal at 0 K. Brillouin light scattering experiments delivered comparable values at room temperature, and measurements up to 650 °C show a linear decrease in the constants with temperature. Nano-indentation results were typical of a brittle material with a low Young modulus and allowed deriving Young's moduli, for c (63 GPa) and m (48 GPa) faces, in agreement with those computed from measured elastic constants. Compressive rupture tests were performed. At 650 °C, the rupture stress was in the range 2–7.5 MPa. No clear evidence of a plastic regime was observed before cracking, even at temperatures close to the melting point.
REFERENCES
1.
W.
Zachariasen
, Notiz über die Kristallstruktur von Phenakit, Willemit und Verwandten Verbidungen
(Mineralogisches Institut der Universität Oslo
, 1926
).2.
U.
Kolitsch
, “The crystal structures of phenacite-type Li2(MoO4), and scheelite-type LiY(MoO4)2 and LiNd(MoO4)2
,” Z. Kristallogr. Cryst. Mater.
216
, 449
–454
(2001
). 3.
D. A.
Spassky
, V.
Nagirnyi
, A. E.
Savon
, I. A.
Kamenskikh
, O. P.
Barinova
, S. V.
Kirsanova
, V. D.
Grigorieva
, N. V.
Ivannikova
, V. N.
Shlegel
, E.
Aleksanyan
, A. P.
Yelisseyev
, and A.
Belsky
, “Low temperature luminescence and charge carrier trapping in a cryogenic scintillator Li2MoO4
,” J. Lumin.
166
, 195
–202
(2015
). 4.
V. I.
Spitsyn
and I. M.
Kuleshov
, “An investigation of the thermal stability and volatility of normal molybdates of the alkali metals
,” J. Gen. Chem. USSR
21
, 445
–448
(1951
).5.
O.
Barinova
, S.
Kirsanova
, A.
Sadovskiy
, and I.
Avetissov
, “Properties of Li2MoO4 single crystals grown by Czochralski technique
,” J. Cryst. Growth
401
, 853
–856
(2014
). 6.
M.
Velazquez
, P.
Veber
, M.
Moutatouia
, P.
de Marcillac
, A.
Giuliani
, P.
Loaiza
, D.
Denux
, R.
Decourt
, H.
El Hafid
, M.
Laubenstein
, S.
Marnieros
, C.
Nones
, V.
Novati
, E.
Olivieri
, D. V.
Poda
, and A. S.
Zolotarova
, “Exploratory growth in the Li2MoO4-MoO3 system for the next crystal generation of heat-scintillation cryogenic bolometers
,” Solid State Sci.
65
, 41
–51
(2017
). 7.
V. D.
Grigorieva
, V. N.
Shlegel
, Y. A.
Borovlev
, A. A.
Ryadun
, and T. B.
Bekker
, “Bolometric molybdate crystals grown by low-thermal-gradient Czochralski technique
,” J. Cryst. Growth
523
, 125144
(2019
). 8.
D. A.
Spassky
, N. S.
Kozlova
, V.
Nagirnyi
, A. E.
Savon
, Y. A.
Hizhnyi
, and S. G.
Nedilko
, “Excitation energy transfer to luminescence centers in MIIMoO4 (MII = Ca, Sr, Zn, Pb) and Li2MoO4
,” J. Lumin.
186
, 229
–237
(2017
). 9.
R.
Yamdagni
, C.
Pupp
, and R. F.
Porter
, “Mass spectrometric study of the evaporation of lithium and sodium molybdates and tungstates
,” J. Inorg. Nucl. Chem.
32
, 3509
–3523
(1970
). 10.
E. K.
Kazenas
, I. O.
Samoilova
, G. K.
Asthakova
, and O. A.
Ovchinnikova
, “Mass-spectrometric data on the thermodynamics of lithium molybdates evaporation
,” Russ. Metall. (Met.)
1
, 41
–45
(1999
).11.
P. V.
Panasyuk
and I. D.
Tretyak
, “Thermal conductivity and thermal expansion of lithium molybdate single crystals
,” Sov. Phys. Solid State
15
(12
), 2442
(1974
).12.
E.
Armengaud
, C.
Augier
, A. S.
Barabash
, F.
Bellini
, G.
Benato
, A.
Benoît
, M.
Beretta
, L.
Bergé
, J.
Billard
, Y. A.
Borovlev
, C.
Bourgeois
, V. B.
Brudanin
, P.
Camus
, L.
Cardani
, N.
Casali
, A.
Cazes
, M.
Chapellier
, F.
Charlieux
, D.
Chiesa
, M.
de Combarieu
, I.
Dafinei
, F. A.
Danevich
, M.
De Jesus
, T.
Dixon
, L.
Dumoulin
, K.
Eitel
, F.
Ferri
, B. K.
Fujikawa
, J.
Gascon
, L.
Gironi
, A.
Giuliani
, V. D.
Grigorieva
, M.
Gros
, E.
Guerard
, D. L.
Helis
, H. Z.
Huang
, R.
Huang
, J.
Johnston
, A.
Juillard
, H.
Khalife
, M.
Kleifges
, V. V.
Kobychev
, Y. G.
Kolomensky
, S. I.
Konovalov
, A.
Leder
, P.
Loaiza
, L.
Ma
, E. P.
Makarov
, P.
de Marcillac
, R.
Mariam
, L.
Marini
, S.
Marnieros
, D.
Misiak
, X.-F.
Navick
, C.
Nones
, E. B.
Norman
, V.
Novati
, E.
Olivieri
, J. L.
Ouellet
, L.
Pagnanini
, P.
Pari
, L.
Pattavina
, B.
Paul
, M.
Pavan
, H.
Peng
, G.
Pessina
, S.
Pirro
, D. V.
Poda
, O. G.
Polischuk
, S.
Pozzi
, E.
Previtali
, T.
Redon
, A.
Rojas
, S.
Rozov
, C.
Rusconi
, V.
Sanglard
, J. A.
Scarpaci
, K.
Schäffner
, B.
Schmidt
, Y.
Shen
, V. N.
Shlegel
, B.
Siebenborn
, V.
Singh
, C.
Tomei
, V. I.
Tretyak
, V. I.
Umatov
, L.
Vagneron
, M.
Velázquez
, B.
Welliver
, L.
Winslow
, M.
Xue
, E.
Yakushev
, M.
Zarytskyy
, and A. S.
Zolotarova
, “A new limit for neutrinoless double-beta decay of 100Mo from the CUPID-Mo experiment
,” Phys. Rev. Lett.
126
(18
), 181802
(2021
). 13.
M.
Martínez
, N.
Coron
, C.
Ginestra
, J.
Gironnet
, V.
Gressier
, J.
Leblanc
, P.
de Marcillac
, T.
Redon
, P.
Di Stefano
, L.
Torres
, P.
Veber
, M.
Velázquez
, and O.
Viraphong
, “Scintillating bolometers for fast neutron spectroscopy in rare events searches
,” J. Phys. Conf. Ser.
375
, 012025
(2012
). 14.
A. H.
Abdelhameed
, G.
Angloher
, P.
Bauer
, A.
Bento
, E.
Bertoldo
, C.
Bucci
, L.
Canonica
, A.
D’Addabbo
, X.
Defay
, S.
Di Lorenzo
, A.
Erb
, F. v.
Feilitzsch
, N.
Ferreiro Iachellini
, S.
Fichtinger
, A.
Fuss
, P.
Gorla
, D.
Hauff
, J.
Jochum
, A.
Kinast
, H.
Kluck
, H.
Kraus
, A.
Langenkämper
, M.
Mancuso
, V.
Mokina
, E.
Mondragon
, A.
Münster
, M.
Olmi
, T.
Ortmann
, C.
Pagliarone
, L.
Pattavina
, F.
Petricca
, W.
Potzel
, F.
Pröbst
, F.
Reindl
, J.
Rothe
, K.
Schäffner
, J.
Schieck
, V.
Schipperges
, D.
Schmiedmayer
, S.
Schönert
, C.
Schwertner
, M.
Stahlberg
, L.
Stodolsky
, C.
Strandhagen
, R.
Strauss
, C.
Türkoğlu
, I.
Usherov
, M.
Willers
, V.
Zema
, M.
Chapellier
, A.
Giuliani
, C.
Nones
, D. V.
Poda
, V. N.
Shlegel
, M.
Velázquez
, and A. S.
Zolotarova
, “First results on sub-GeV spin-dependent dark matter with 7Li
,” Eur. Phys. J. C
79
(7
), 630
(2019
). 15.
A.
Ahmine
, M.
Velazquez
, V.
Nagirnyi
, I.
Romet
, and T.
Duffar
, “Conventional Czochralski growth of large Li2MoO4 single crystals
,” J. Cryst. Growth
578
, 126420
(2022
). 16.
A.
Ahmine
, “Croissance Czochralski, comportement et propriétés mécaniques de cristaux massifs de Li2MoO4 pour bolomètres scintillants
,” Ph.D. thesis
(Université Grenoble Alpes
, 2021
) (in French
).17.
C.
Stelian
, M.
Velazquez
, P.
Veber
, A.
Ahmine
, T.
Duffar
, P.
de Marcillac
, A.
Giuliani
, D. V.
Poda
, S.
Marnieros
, C.
Nones
, V.
Novati
, E.
Olivieri
, A. S.
Zolotarova
, H.
Cabane
, and T.
Redon
, “Experimental and numerical investigations of the Czochralski growth of Li2MoO4 crystals for heat-scintillation cryogenic bolometers
,” J. Cryst. Growth
531
, 125385
(2020
). 18.
G.
Buşe
, A.
Giuliani
, P.
de Marcillac
, S.
Marnieros
, C.
Nones
, V.
Novati
, E.
Olivieri
, D. V.
Poda
, T.
Redon
, J.-B.
Sand
, P.
Veber
, M.
Velázquez
, and A. S.
Zolotarova
, “First scintillating bolometer tests of a CLYMENE R&D on Li2MoO4 scintillators towards a large-scale double-beta decay experiment
,” Nucl. Instrum. Methods Phys. Res., Sect. A
891
, 87
–91
(2018
). 19.
E. N.
Galashov
, T. M.
Denisova
, I. M.
Ivanov
, E. P.
Makarov
, V. N.
Mamontov
, V. N.
Schlegel
, Y. G.
Stenin
, Y. V.
Vasiliev
, and V. N.
Zhdankov
, “Growing of 106CdWO4, ZnWO4, and ZnMoO4 scintillation crystals for rare events search by low thermal gradient Czochralski technique
,” Funct. Mater.
17
, 504
(2010
).20.
D.
Faurie
, N.
Girodon-Boulandet
, A.
Kaladjian
, F.
Challali
, G.
Abadias
, and P.
Djemia
, “Setup for high-temperature surface Brillouin light scattering: Application to opaque thin films and coatings
,” Rev. Sci. Instrum.
88
, 023903
(2017
). 21.
F.
Bahrami
, M.
Hammad
, M.
Fivel
, B.
Huet
, C.
D’Haese
, L.
Ding
, B.
Nysten
, H.
Idrissi
, J. P.
Raskin
, and T.
Pardoen
, “Single layer graphene controlled surface and bulk indentation
,” Int. J. Plast.
138
, 102936
(2021
). 22.
G.
Kresse
and J.
Furthmüller
, “Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
,” Phys. Rev. B
54
, 11169
–11186
(1996
). 23.
G.
Kresse
, “From ultrasoft pseudopotentials to the projector augmented-wave method
,” Phys. Rev. B
59
, 1758
–1775
(1999
). 24.
C.
Malgrange
, C.
Ricolleau
, and F.
Lefaucheux
, Symétrie et Propriétés Physiques des Cristaux
, Savoirs Actuels Series (EDP Sciences
, 2011
), ISBN: 978 2 7598 0499 3.25.
W.
Kohn
and L. J.
Sham
, “Self-consistent equations including exchange and correlation effects
,” Phys. Rev.
140
, A1133
–A1138
(1965
). 26.
J. P.
Perdew
, K.
Burke
, and M.
Ernzerhof
, “Generalized gradient approximation made simple
,” Phys. Rev. Lett.
77
, 3865
–3868
(1996
). 27.
Y.
Le Page
and P.
Saxe
, “Symmetry-general least-squares extraction of elastic coefficients from ab initio total energy calculations
,” Phys. Rev. B
63
, 174103
(2001
). 28.
Y.
Le Page
and P.
Saxe
, “Symmetry-general least-squares extraction of elastic data for strained materials from ab initio calculations of stress
,” Phys. Rev. B
65
, 10410453
(2002
). 29.
M. G.
Beghi
, Modeling and Measurement Methods for Acoustic Waves and for Acoustic Microdevices
(Intech Open
, 2013
), Chap. 9, p. 2009
.30.
J. W.
Jaeken
and S.
Cottenier
, “Solving the Christoffel equation: Phase and group velocities
,” Comput. Phys. Commun.
207
, 445
–451
(2016
). 31.
Y. P.
Varshni
, “Temperature dependance of the elastic constants
,” Phys. Rev. B
2
, 3952
–3958
(1970
). 32.
W. C.
Oliver
and G. M.
Pharr
, “An improved technique for determining hardness and elastic modulus
,” J. Mater. Res.
7
, 1564
–1583
(1992
). 33.
R.
Sevcik
, P.
Sasek
, and A.
Viani
, “Physical and nanomechanical properties of the synthetic anhydrous crystalline CaCO3 polymorphs: Vaterite, aragonite and calcite
,” J. Mater. Sci.
53
, 4022
–4033
(2018
). 34.
A.
Pavese
, M.
Catti
, S. C.
Parker
, and A.
Wall
, “Modelling of the thermal dependence of structural and elastic properties of calcite, CaCO3
,” Phys. Chem. Miner.
23
, 89
–93
(1996
). 35.
N.
Sebehi
, K.
Bouamama
, P.
Djemia
, and K.
Kassali
, “Structural and elastic properties of ternary silicides ScTSi (T=Co, Ni, Cu, Ru, Rh, Pd, Ir, Pt) and of the equiatomic intermetallic compounds YTX (T=Ni, Ir and X-Si, Ge, Sn, Pb)
,” Phys. Status Solidi B
252
, 2769
–2777
(2015
). 36.
D. G.
Pettifor
, “Theoretical predictions of structure and related properties of intermetallics
,” Mater. Sci. Technol.
8
, 345
–349
(1992
). 37.
T.
Chudoba
, P.
Schwaller
, R.
Rabe
, J.-M.
Breguet
, and J.
Michler
, “Comparison of nanoindentation results obtained with Berkovich and cube-corner indenter
,” Philos. Mag.
86
, 5265
–5283
(2006
). 38.
D.
Tabor
, “The physical meaning of indentation and scratch hardness
,” Br. J. Appl. Phys.
7
, 159
–166
(1956
). 39.
J. J.
Gilman
, in The Science of Hardness Testing and Its Research Applications
, edited by J. H.
Westbrook
and H.
Conrad
(American Society for Metals
, 1973
), pp. 51
–74
. Cited in T.
Breteau
et al, Adv. Phys.
28
, 835
–1014
(1979
).40.
S. F.
Pugh
, “Relations between the elastic moduli and the plastic properties of polycrystalline pure metals
,” Lond. Edinb. Dublin Philos. Mag. J. Sci.
45
, 823
–843
(1954
). 41.
E.
Savrun
, C.
Toy
, W. D.
Scott
, and D. C.
Harris
, Proc. SPIE
3705
, 12
–16
(1999
). 42.
J.
Castaing
, A.
Mufioz
, D.
Gomez Garcia
, and A.
Dominguez Rodriguez
, “Basal slip in sapphire (a-Al2O3)
,” Mater. Sci. Eng., A
233
, 121
–125
(1997
). 43.
C.
Parlangeau
, A.
Dimanov
, O.
Lacombe
, S.
Hallais
, and J.-M.
Daniel
, “Uniaxial compression of calcite single crystals at room temperature: Insights into twinning activation and development
,” Solid Earth
10
, 307
–316
(2019
). 44.
J. H. P.
De Bresser
and C. J.
Spiers
, “Slip systems in calcite single crystals deformed at 300-800°C
,” J. Geophys. Res. Solid Earth
98
, 6397
–6409
, https://doi.org/10.1029/92JB02044 (1993
). 45.
P.
Haasen
, “Dislocations and the plasticity of ionic crystals
,” Mater. Sci. Technol.
1
, 1013
–1024
(1985
). © 2022 Author(s). Published under an exclusive license by AIP Publishing.
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