Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3

Li, Chen W.; Tang, Xiaoli; Muñoz, J. A.; Keith, J. B.; Tracy, S. J.; Abernathy, D. L.; Fultz, B.

doi:10.1103/PhysRevLett.107.195504

Title: Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF₃

Authors:: Li, Chen W.; Tang, Xiaoli; Muñoz, J. A.; Keith, J. B.; Tracy, S. J.; Abernathy, D. L.; Fultz, B.

Publication Date:: Fri Nov 04 00:00:00 EDT 2011

Sponsoring Org.:: USDOE

OSTI Identifier:: 1101091

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Name: Physical Review Letters Journal Volume: 107 Journal Issue: 19; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Li, Chen W., Tang, Xiaoli, Muñoz, J. A., Keith, J. B., Tracy, S. J., Abernathy, D. L., and Fultz, B. Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3.  United States: N. p., 2011. 
Web.  doi:10.1103/PhysRevLett.107.195504.

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                    Li, Chen W., Tang, Xiaoli, Muñoz, J. A., Keith, J. B., Tracy, S. J., Abernathy, D. L., & Fultz, B. Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3.  United States.  https://doi.org/10.1103/PhysRevLett.107.195504

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                    Li, Chen W., Tang, Xiaoli, Muñoz, J. A., Keith, J. B., Tracy, S. J., Abernathy, D. L., and Fultz, B. Fri .  
"Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3".  United States.  https://doi.org/10.1103/PhysRevLett.107.195504.

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@article{osti_1101091,

  title        = {Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3},

  author       = {Li, Chen W. and Tang, Xiaoli and Muñoz, J. A. and Keith, J. B. and Tracy, S. J. and Abernathy, D. L. and Fultz, B.},

  abstractNote = {},

  doi          = {10.1103/PhysRevLett.107.195504},

  journal      = {Physical Review Letters},

  number       = 19,

  volume       = 107,

  place        = {United States},

  year         = {Fri Nov 04 00:00:00 EDT 2011},

  month        = {Fri Nov 04 00:00:00 EDT 2011}

}

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Works referenced in this record:

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Title: Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF3

Citation Formats

The determination of rigid-unit modes as potential soft modes for displacive phase transitions in framework crystal structures journal, September 1993

Ab Initio Force Constants of GaAs: A New Approach to Calculation of Phonons and Dielectric Properties journal, February 1982

Anharmonic oscillators, the thermodynamic Bethe ansatz and nonlinear integral equations journal, September 1999

Phonon density of states and negative thermal expansion in ZrW2O8 journal, November 1998

Projector augmented-wave method journal, December 1994

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Grüneisen parameters for the equation of state of solids journal, April 1957

Phonons in aluminum at high temperatures studied by inelastic neutron scattering journal, January 2008

Negative Thermal Expansion in ZrW 2 O 8 : Mechanisms, Rigid Unit Modes, and Neutron Total Scattering journal, December 2005

Dynamics of Some Constrained Lattices journal, February 2001

Negative (and very low) thermal expansion in ReO 3 from 5 to 300 K journal, February 2009

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method journal, January 1999

Isotropic Negative Thermal Expansion journal, August 1998

Negative Thermal Expansion from 0.3 to 1050 Kelvin in ZrW2O8 journal, April 1996

Frustrated Soft Modes and Negative Thermal Expansion in Z r W 2 O 8 journal, November 2002

Ambient pressure phase diagram of plutonium: A unified theory for α-Pu and δ-Pu journal, August 2001

Lattice dynamics of MF3 crystals (M = Al, Ga, and In) journal, July 2000

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

Ab initiomolecular dynamics for liquid metals journal, January 1993

Soft Manifold Dynamics behind Negative Thermal Expansion journal, June 2008

Negative thermal expansion materials journal, April 1998

Unusual Low-Energy Phonon Dynamics in the Negative Thermal Expansion Compound Z r W 2 O 8 journal, November 2004

Negative thermal expansion journal, January 2005

Negative thermal expansion and low-frequency modes in cyanide-bridged framework materials journal, April 2005

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

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

Title: Structural Relationship between Negative Thermal Expansion and Quartic Anharmonicity of Cubic ScF₃

The determination of rigid-unit modes as potential soft modes for displacive phase transitions in framework crystal structures
journal, September 1993

Ab Initio Force Constants of GaAs: A New Approach to Calculation of Phonons and Dielectric Properties
journal, February 1982

Anharmonic oscillators, the thermodynamic Bethe ansatz and nonlinear integral equations
journal, September 1999

Phonon density of states and negative thermal expansion in ZrW2O8
journal, November 1998

Projector augmented-wave method
journal, December 1994

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Grüneisen parameters for the equation of state of solids
journal, April 1957

Phonons in aluminum at high temperatures studied by inelastic neutron scattering
journal, January 2008

Negative Thermal Expansion in ${ZrW}_{2} O_{8}$ : Mechanisms, Rigid Unit Modes, and Neutron Total Scattering
journal, December 2005

Dynamics of Some Constrained Lattices
journal, February 2001

Negative (and very low) thermal expansion in ReO ₃ from 5 to 300 K
journal, February 2009

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999

Isotropic Negative Thermal Expansion
journal, August 1998

Negative Thermal Expansion from 0.3 to 1050 Kelvin in ZrW2O8
journal, April 1996

Frustrated Soft Modes and Negative Thermal Expansion in ${Z r W}_{2} O_{8}$
journal, November 2002

Ambient pressure phase diagram of plutonium: A unified theory for α-Pu and δ-Pu
journal, August 2001

Lattice dynamics of MF3 crystals (M = Al, Ga, and In)
journal, July 2000

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

Ab initiomolecular dynamics for liquid metals
journal, January 1993

Soft Manifold Dynamics behind Negative Thermal Expansion
journal, June 2008

Negative thermal expansion materials
journal, April 1998

Unusual Low-Energy Phonon Dynamics in the Negative Thermal Expansion Compound ${Z r W}_{2} O_{8}$
journal, November 2004

Negative thermal expansion
journal, January 2005

Negative thermal expansion and low-frequency modes in cyanide-bridged framework materials
journal, April 2005

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

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