Large isotropic negative thermal expansion above a structural quantum phase transition

doi:10.1103/PhysRevB.92.134101

Title: Large isotropic negative thermal expansion above a structural quantum phase transition

Authors:: Handunkanda, Sahan U.; Curry, Erin B.; Voronov, Vladimir; Said, Ayman H.; Guzmán-Verri, Gian G.; Brierley, Richard T.; Littlewood, Peter B.; Hancock, Jason N.

Publication Date:: 2015-10-01

Sponsoring Org.:: USDOE

OSTI Identifier:: 1222518

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Name: Physical Review B Journal Volume: 92 Journal Issue: 13; Journal ID: ISSN 1098-0121

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Handunkanda, Sahan U., Curry, Erin B., Voronov, Vladimir, Said, Ayman H., Guzmán-Verri, Gian G., Brierley, Richard T., Littlewood, Peter B., and Hancock, Jason N. Large isotropic negative thermal expansion above a structural quantum phase transition.  United States: N. p., 2015. 
        Web.  doi:10.1103/PhysRevB.92.134101.

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                    Handunkanda, Sahan U., Curry, Erin B., Voronov, Vladimir, Said, Ayman H., Guzmán-Verri, Gian G., Brierley, Richard T., Littlewood, Peter B., & Hancock, Jason N. Large isotropic negative thermal expansion above a structural quantum phase transition.  United States.  doi:10.1103/PhysRevB.92.134101.

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                    Handunkanda, Sahan U., Curry, Erin B., Voronov, Vladimir, Said, Ayman H., Guzmán-Verri, Gian G., Brierley, Richard T., Littlewood, Peter B., and Hancock, Jason N. Thu .  
        "Large isotropic negative thermal expansion above a structural quantum phase transition".  United States.  doi:10.1103/PhysRevB.92.134101.

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@article{osti_1222518,

  title        = {Large isotropic negative thermal expansion above a structural quantum phase transition},

  author       = {Handunkanda, Sahan U. and Curry, Erin B. and Voronov, Vladimir and Said, Ayman H. and Guzmán-Verri, Gian G. and Brierley, Richard T. and Littlewood, Peter B. and Hancock, Jason N.},

  abstractNote = {},

  doi          = {10.1103/PhysRevB.92.134101},

  journal      = {Physical Review B},

  number       = 13,

  volume       = 92,

  place        = {United States},

  year         = {2015},

  month        = {10}

}

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DOI: 10.1103/PhysRevB.92.134101

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Works referenced in this record:

Two Decades of Negative Thermal Expansion Research: Where Do We Stand?
journal, June 2012

Lind, Cora
Materials, Vol. 5, Issue 12
DOI: 10.3390/ma5061125

Solid solubility, phase transitions, thermal expansion, and compressibility in Sc1−Al F3
journal, February 2015

Morelock, Cody R.; Gallington, Leighanne C.; Wilkinson, Angus P.
Journal of Solid State Chemistry, Vol. 222
DOI: 10.1016/j.jssc.2014.11.007

Structure–property relations in doped perovskite oxides
journal, December 2001

Attfield, J. P.
International Journal of Inorganic Materials, Vol. 3, Issue 8
DOI: 10.1016/S1466-6049(01)00110-6

The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions
journal, February 2015

Romao, Carl P.; Morelock, Cody R.; Johnson, Michel B.
Journal of Materials Science, Vol. 50, Issue 9
DOI: 10.1007/s10853-015-8899-y

Pressure-induced elastic softening of monocrystalline zirconium tungstate at $300 K$
journal, June 2006

Pantea, C.; Migliori, A.; Littlewood, P. B.
Physical Review B, Vol. 73, Issue 21
DOI: 10.1103/PhysRevB.73.214118

Structural Phase Transitions
journal, November 2006

A. Cowley, R.; M. Shapiro, S.
Journal of the Physical Society of Japan, Vol. 75, Issue 11
DOI: 10.1143/JPSJ.75.111001

Evolution of Negative Thermal Expansion and Phase Transitions in Sc _1-x Ti _x F ₃
journal, February 2014

Morelock, Cody R.; Gallington, Leighanne C.; Wilkinson, Angus P.
Chemistry of Materials, Vol. 26, Issue 5
DOI: 10.1021/cm5002048

Negative thermal expansion and compressibility of Sc _1– _x Y _x F ₃ (x≤0.25)
journal, December 2013

Morelock, Cody R.; Greve, Benjamin K.; Gallington, Leighanne C.
Journal of Applied Physics, Vol. 114, Issue 21
DOI: 10.1063/1.4836855

Critical behaviour of SrTiO3 near the 105°K phase transition
journal, September 1971

Riste, T.; Samuelsen, E. J.; Otnes, K.
Solid State Communications, Vol. 9, Issue 17
DOI: 10.1016/0038-1098(71)90155-4

Dynamics and statistical mechanics of a one-dimensional model Hamiltonian for structural phase transitions
journal, May 1975

Krumhansl, J. A.; Schrieffer, J. R.
Physical Review B, Vol. 11, Issue 9
DOI: 10.1103/PhysRevB.11.3535

New developments in fabrication of high-energy-resolution analyzers for inelastic X-ray spectroscopy
journal, March 2011

Said, Ayman H.; Sinn, Harald; Divan, Ralu
Journal of Synchrotron Radiation, Vol. 18, Issue 3
DOI: 10.1107/S0909049511001828

Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal
journal, March 2011

Aleksandrov, K. S.; Voronov, N. V.; Vtyurin, A. N.
Physics of the Solid State, Vol. 53, Issue 3
DOI: 10.1134/S1063783411030036

Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ${ScF}_{3}$
journal, November 2011

Li, Chen W.; Tang, Xiaoli; Muñoz, J. A.
Physical Review Letters, Vol. 107, Issue 19
DOI: 10.1103/PhysRevLett.107.195504

Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF ₃
journal, November 2010

Greve, Benjamin K.; Martin, Kenneth L.; Lee, Peter L.
Journal of the American Chemical Society, Vol. 132, Issue 44
DOI: 10.1021/ja106711v

Octahedral tilt instability of ${ReO}_{3}$ -type crystals
journal, May 2006

Allen, Philip B.; Chen, Yiing-Rei; Chaudhuri, Santanu
Physical Review B, Vol. 73, Issue 17
DOI: 10.1103/PhysRevB.73.172102

Study of the Nature and Mechanism of the Rhombohedral-to-Cubic Phase Transition in α-AlF ₃ with Molecular Dynamics Simulations
journal, March 2004

Chaudhuri, Santanu; Chupas, Peter J.; Wilson, Mark
The Journal of Physical Chemistry B, Vol. 108, Issue 11
DOI: 10.1021/jp034533g

Negative thermal expansion materials: technological key for control of thermal expansion
journal, February 2012

Takenaka, Koshi
Science and Technology of Advanced Materials, Vol. 13, Issue 1
DOI: 10.1088/1468-6996/13/1/013001

Ferroelectric quantum criticality
journal, March 2014

Rowley, S. E.; Spalek, L. J.; Smith, R. P.
Nature Physics, Vol. 10, Issue 5
DOI: 10.1038/nphys2924

Structural phase transitions I. Landau theory
journal, February 1980

Cowley, R. A.
Advances in Physics, Vol. 29, Issue 1
DOI: 10.1080/00018738000101346

Critical Neutron Scattering in SrTi $O_{3}$ and KMn $F_{3}$
journal, December 1972

Shapiro, S. M.; Axe, J. D.; Shirane, G.
Physical Review B, Vol. 6, Issue 11
DOI: 10.1103/PhysRevB.6.4332

Pressure-induced phase transition in the cubic ScF3 crystal
journal, April 2009

Aleksandrov, K. S.; Voronov, V. N.; Vtyurin, A. N.
Physics of the Solid State, Vol. 51, Issue 4
DOI: 10.1134/S1063783409040295

The role of static disorder in negative thermal expansion in ReO3
journal, June 2009

Rodriguez, Efrain E.; Llobet, Anna; Proffen, Thomas
Journal of Applied Physics, Vol. 105, Issue 11
DOI: 10.1063/1.3120783

Raman-scattering study of crystallized M $F_{3}$ compounds ( M =Al,Cr,Ga,V,Fe,In): An approach to the short-range-order force constants
journal, December 1990

Daniel, P.; Bulou, A.; Rousseau, M.
Physical Review B, Vol. 42, Issue 16
DOI: 10.1103/PhysRevB.42.10545

Cation disorder and size effects in magnetoresistive manganese oxide perovskites
journal, December 1996

Rodriguez-Martinez, Lide M.; Attfield, J. Paul
Physical Review B, Vol. 54, Issue 22
DOI: 10.1103/PhysRevB.54.R15622

Why Are There So Few Perovskite Ferroelectrics?
journal, May 2013

Benedek, Nicole A.; Fennie, Craig J.
The Journal of Physical Chemistry C, Vol. 117, Issue 26
DOI: 10.1021/jp402046t

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Title: Large isotropic negative thermal expansion above a structural quantum phase transition

Citation Formats

Two Decades of Negative Thermal Expansion Research: Where Do We Stand? journal, June 2012

Solid solubility, phase transitions, thermal expansion, and compressibility in Sc1−Al F3 journal, February 2015

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Pressure-induced elastic softening of monocrystalline zirconium tungstate at 300 K journal, June 2006

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Negative thermal expansion and compressibility of Sc 1– x Y x F 3 (x≤0.25) journal, December 2013

Critical behaviour of SrTiO3 near the 105°K phase transition journal, September 1971

Dynamics and statistical mechanics of a one-dimensional model Hamiltonian for structural phase transitions journal, May 1975

New developments in fabrication of high-energy-resolution analyzers for inelastic X-ray spectroscopy journal, March 2011

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Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF 3 journal, November 2011

Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF 3 journal, November 2010

Octahedral tilt instability of ReO 3 -type crystals journal, May 2006

Study of the Nature and Mechanism of the Rhombohedral-to-Cubic Phase Transition in α-AlF 3 with Molecular Dynamics Simulations journal, March 2004

Negative thermal expansion materials: technological key for control of thermal expansion journal, February 2012

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The role of static disorder in negative thermal expansion in ReO3 journal, June 2009

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Two Decades of Negative Thermal Expansion Research: Where Do We Stand?
journal, June 2012

Solid solubility, phase transitions, thermal expansion, and compressibility in Sc1−Al F3
journal, February 2015

Structure–property relations in doped perovskite oxides
journal, December 2001

The heat capacities of thermomiotic ScF3 and ScF3–YF3 solid solutions
journal, February 2015

Pressure-induced elastic softening of monocrystalline zirconium tungstate at $300 K$
journal, June 2006

Structural Phase Transitions
journal, November 2006

Evolution of Negative Thermal Expansion and Phase Transitions in Sc _1-x Ti _x F ₃
journal, February 2014

Negative thermal expansion and compressibility of Sc _1– _x Y _x F ₃ (x≤0.25)
journal, December 2013

Critical behaviour of SrTiO3 near the 105°K phase transition
journal, September 1971

Dynamics and statistical mechanics of a one-dimensional model Hamiltonian for structural phase transitions
journal, May 1975

New developments in fabrication of high-energy-resolution analyzers for inelastic X-ray spectroscopy
journal, March 2011

Structure and lattice dynamics of the high-pressure phase in the ScF3 crystal
journal, March 2011

Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ${ScF}_{3}$
journal, November 2011

Pronounced Negative Thermal Expansion from a Simple Structure: Cubic ScF ₃
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Negative thermal expansion materials: technological key for control of thermal expansion
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Critical Neutron Scattering in SrTi $O_{3}$ and KMn $F_{3}$
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The role of static disorder in negative thermal expansion in ReO3
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