Single-crystal elastic constants of magnesium difluoride (MgF2) to 7.4 GPa

Ilias S. Zouboulis; Fuming Jiang; Jue Wang; Thomas S. Duffy

doi:10.1016/j.jpcs.2013.09.014

Single-crystal elastic constants of magnesium difluoride (MgF₂) to 7.4 GPa

Ilias S. Zouboulis
, Fuming Jiang
, Jue Wang
, Thomas S. Duffy

Research output: Contribution to journal › Article › peer-review

12 Scopus citations

Abstract

The six independent elastic constants (C₁₁, C₁₂, C₁₃, C₃₃, C₄₄, and C₆₆) of single-crystal MgF₂ in the rutile structure have been measured by Brillouin spectroscopy at room temperature from ambient conditions to 7.4 GPa. Measurements were performed on two monocrystals with perpendicular faces, (001) and (100). A quasi-linear fit from finite strain theory was applied to the experimental data revealing the pressure dependence of the six elastic constants of MgF₂. The shear modulus C_S=1/2(C₁₁-C ₁₂), and the aggregate shear (Voigt-Reuss-Hill) modulus G show a softening with increasing pressure, indicating the approach of the rutile-to-CaCl₂-type structural phase transition at P∼9 GPa. The adiabatic bulk modulus (Reuss average) and its pressure derivative have been determined: K_0S=105.1±0.3 GPa, (∂K_0S/∂P) _T=4.14±0.05. The pressure-volume equation of state of MgF ₂ was computed self-consistently from the Brillouin data. Our results are in good agreement with X-ray diffraction data. As the phase transition is approached, MgF₂ becomes strongly anisotropic and develops partially auxetic behavior (a negative Poisson's ratio in certain directions).

Original language	English (US)
Pages (from-to)	136-141
Number of pages	6
Journal	Journal of Physics and Chemistry of Solids
Volume	75
Issue number	1
DOIs	https://doi.org/10.1016/j.jpcs.2013.09.014
State	Published - Jan 2014

All Science Journal Classification (ASJC) codes

General Chemistry
General Materials Science
Condensed Matter Physics

Keywords

C. High pressure
D. Electrical properties
D. Equations-of-state
D. Phase transition

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10.1016/j.jpcs.2013.09.014

Cite this

@article{c4ce9ec6dc4f498fb67467f241730e27,

title = "Single-crystal elastic constants of magnesium difluoride (MgF2) to 7.4 GPa",

abstract = "The six independent elastic constants (C11, C12, C13, C33, C44, and C66) of single-crystal MgF2 in the rutile structure have been measured by Brillouin spectroscopy at room temperature from ambient conditions to 7.4 GPa. Measurements were performed on two monocrystals with perpendicular faces, (001) and (100). A quasi-linear fit from finite strain theory was applied to the experimental data revealing the pressure dependence of the six elastic constants of MgF2. The shear modulus CS=1/2(C11-C 12), and the aggregate shear (Voigt-Reuss-Hill) modulus G show a softening with increasing pressure, indicating the approach of the rutile-to-CaCl2-type structural phase transition at P∼9 GPa. The adiabatic bulk modulus (Reuss average) and its pressure derivative have been determined: K0S=105.1±0.3 GPa, (∂K0S/∂P) T=4.14±0.05. The pressure-volume equation of state of MgF 2 was computed self-consistently from the Brillouin data. Our results are in good agreement with X-ray diffraction data. As the phase transition is approached, MgF2 becomes strongly anisotropic and develops partially auxetic behavior (a negative Poisson's ratio in certain directions).",

keywords = "C. High pressure, D. Electrical properties, D. Equations-of-state, D. Phase transition",

author = "Zouboulis, \{Ilias S.\} and Fuming Jiang and Jue Wang and Duffy, \{Thomas S.\}",

note = "Funding Information: This work was supported by the National Science Foundation and the Carnegie-DOE Alliance Center . I.S.Z. acknowledges financial support from the National Technical University of Athens during his sabbatical stay at Princeton University. Copyright: Copyright 2013 Elsevier B.V., All rights reserved.",

year = "2014",

month = jan,

doi = "10.1016/j.jpcs.2013.09.014",

language = "English (US)",

volume = "75",

pages = "136--141",

journal = "Journal of Physics and Chemistry of Solids",

issn = "0022-3697",

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number = "1",

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T1 - Single-crystal elastic constants of magnesium difluoride (MgF2) to 7.4 GPa

AU - Zouboulis, Ilias S.

AU - Jiang, Fuming

AU - Wang, Jue

AU - Duffy, Thomas S.

N1 - Funding Information: This work was supported by the National Science Foundation and the Carnegie-DOE Alliance Center . I.S.Z. acknowledges financial support from the National Technical University of Athens during his sabbatical stay at Princeton University. Copyright: Copyright 2013 Elsevier B.V., All rights reserved.

PY - 2014/1

Y1 - 2014/1

N2 - The six independent elastic constants (C11, C12, C13, C33, C44, and C66) of single-crystal MgF2 in the rutile structure have been measured by Brillouin spectroscopy at room temperature from ambient conditions to 7.4 GPa. Measurements were performed on two monocrystals with perpendicular faces, (001) and (100). A quasi-linear fit from finite strain theory was applied to the experimental data revealing the pressure dependence of the six elastic constants of MgF2. The shear modulus CS=1/2(C11-C 12), and the aggregate shear (Voigt-Reuss-Hill) modulus G show a softening with increasing pressure, indicating the approach of the rutile-to-CaCl2-type structural phase transition at P∼9 GPa. The adiabatic bulk modulus (Reuss average) and its pressure derivative have been determined: K0S=105.1±0.3 GPa, (∂K0S/∂P) T=4.14±0.05. The pressure-volume equation of state of MgF 2 was computed self-consistently from the Brillouin data. Our results are in good agreement with X-ray diffraction data. As the phase transition is approached, MgF2 becomes strongly anisotropic and develops partially auxetic behavior (a negative Poisson's ratio in certain directions).

AB - The six independent elastic constants (C11, C12, C13, C33, C44, and C66) of single-crystal MgF2 in the rutile structure have been measured by Brillouin spectroscopy at room temperature from ambient conditions to 7.4 GPa. Measurements were performed on two monocrystals with perpendicular faces, (001) and (100). A quasi-linear fit from finite strain theory was applied to the experimental data revealing the pressure dependence of the six elastic constants of MgF2. The shear modulus CS=1/2(C11-C 12), and the aggregate shear (Voigt-Reuss-Hill) modulus G show a softening with increasing pressure, indicating the approach of the rutile-to-CaCl2-type structural phase transition at P∼9 GPa. The adiabatic bulk modulus (Reuss average) and its pressure derivative have been determined: K0S=105.1±0.3 GPa, (∂K0S/∂P) T=4.14±0.05. The pressure-volume equation of state of MgF 2 was computed self-consistently from the Brillouin data. Our results are in good agreement with X-ray diffraction data. As the phase transition is approached, MgF2 becomes strongly anisotropic and develops partially auxetic behavior (a negative Poisson's ratio in certain directions).

KW - C. High pressure

KW - D. Electrical properties

KW - D. Equations-of-state

KW - D. Phase transition

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