Negative thermal expansion in cubic ZrMo2O8: Inelastic neutron scattering and lattice dynamical studies

R. Mittal; S. L. Chaplot; H. Schober; A. I. Kolesnikov; C. K. Loong; C. Lind; A. P. Wilkinson

doi:10.1103/PhysRevB.70.214303

Negative thermal expansion in cubic ZrMo₂O₈: Inelastic neutron scattering and lattice dynamical studies

R. Mittal, S. L. Chaplot, H. Schober, A. I. Kolesnikov, C. K. Loong, C. Lind, A. P. Wilkinson

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

42 Scopus citations

Abstract

Disordered cubic ZrMo₂O₈(Pa3, Z=4) is known to display isotropic negative thermal expansion (NTE) below 600 K. We report high-pressure inelastic neutron scattering experiments up to 2.5 kbar in this material using the IN6 spectrometer at Institut Laue-Langevin. The observed phonon softening of about 0.1-0.3 meV for phonons below 8 meV is able to account for the NTE below 100 K. The phonon spectrum in the entire energy range up to 150 meV has been measured using the HRMECS spectrometer at Argonne National Laboratory. The ordered phase (space group P2₁3) of cubic ZrMo ₂O₈ has not yet been synthesized. However, we have calculated the phonon spectrum and thermal expansion in this phase for comparison with the known ordered phase of cubic ZrW₂O₈.

Original language	English
Article number	214303
Pages (from-to)	1-6
Number of pages	6
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	70
Issue number	21
DOIs	https://doi.org/10.1103/PhysRevB.70.214303
State	Published - Dec 2004
Externally published	Yes

Funding

Work performed at Argonne National Laboratory is supported by the U.S. DOE-BES under Contract No. W-31-109-ENG-38. A.P.W. is grateful for financial support from the US National Science Foundation under Grant No. DMR-0203342.

Funders	Funder number
U.S. DOE-BES
US National Science Foundation
Argonne National Laboratory

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10.1103/PhysRevB.70.214303

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abstract = "Disordered cubic ZrMo2O8(Pa3, Z=4) is known to display isotropic negative thermal expansion (NTE) below 600 K. We report high-pressure inelastic neutron scattering experiments up to 2.5 kbar in this material using the IN6 spectrometer at Institut Laue-Langevin. The observed phonon softening of about 0.1-0.3 meV for phonons below 8 meV is able to account for the NTE below 100 K. The phonon spectrum in the entire energy range up to 150 meV has been measured using the HRMECS spectrometer at Argonne National Laboratory. The ordered phase (space group P213) of cubic ZrMo 2O8 has not yet been synthesized. However, we have calculated the phonon spectrum and thermal expansion in this phase for comparison with the known ordered phase of cubic ZrW2O8.",

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AU - Mittal, R.

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AU - Schober, H.

AU - Kolesnikov, A. I.

AU - Loong, C. K.

AU - Lind, C.

AU - Wilkinson, A. P.

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AB - Disordered cubic ZrMo2O8(Pa3, Z=4) is known to display isotropic negative thermal expansion (NTE) below 600 K. We report high-pressure inelastic neutron scattering experiments up to 2.5 kbar in this material using the IN6 spectrometer at Institut Laue-Langevin. The observed phonon softening of about 0.1-0.3 meV for phonons below 8 meV is able to account for the NTE below 100 K. The phonon spectrum in the entire energy range up to 150 meV has been measured using the HRMECS spectrometer at Argonne National Laboratory. The ordered phase (space group P213) of cubic ZrMo 2O8 has not yet been synthesized. However, we have calculated the phonon spectrum and thermal expansion in this phase for comparison with the known ordered phase of cubic ZrW2O8.

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Negative thermal expansion in cubic ZrMo₂O₈: Inelastic neutron scattering and lattice dynamical studies

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