Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

Lipp, M. J.; Jenei, Zs.; Cynn, H.; Kono, Y.; Park, C.; Kenney-Benson, C.; Evans, W. J.

doi:10.1038/s41467-017-01411-9

Title: Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

Abstract

Here, the longitudinal and transverse sound speeds, c_L and c_T, of polycrystalline cerium were measured isothermally vs pressure up to the critical temperature across the iso-structural γ-α volume collapse (VC) phase transition. We deduce values for the adiabatic bulk modulus BS, the shear modulus G = ρc_T², the Poisson’s ratio ν and the Debye temperature, θ_D(p). We find that the elastic constant C₁₂ is solely responsible for the decrease of B_S with pressure towards the VC at RT. With increasing temperature, the lattice contribution ΔS_vib(γ→α) to the total entropy change across the VC decreases more rapidly to zero than the total entropy itself suggesting that another mechanism, possibly disorder, assists in stabilizing the γ-phase entropically against the α-phase. Also, with increasing temperature, the Poisson’s ratio becomes negative near the VC transition, meaning that cerium metal takes on auxetic characteristics over a small pressure range. At the critical point the Poisson’s ratio ought to be -1, since the isothermal bulk modulus vanishes and the shear modulus remains nonzero.

Authors:

Lipp, M. J. ^[1]; Jenei, Zs. ^[1]; Cynn, H. ^[1]; Kono, Y. ^[2]; Park, C. ^[2]; Kenney-Benson, C. ^[2]; Evans, W. J. ^[1]

Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Carnegie Institute of Washington, Argonne, IL (United States)

Publication Date:: Tue Oct 31 00:00:00 EDT 2017

Research Org.:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1410020

Report Number(s):: LLNL-JRNL-677515
Journal ID: ISSN 2041-1723

Grant/Contract Number:: AC52-07NA27344

Resource Type:: Accepted Manuscript

Journal Name:: Nature Communications

Additional Journal Information:: Journal Volume: 8; Journal ID: ISSN 2041-1723

Publisher:: Nature Publishing Group

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats


                    Lipp, M. J., Jenei, Zs., Cynn, H., Kono, Y., Park, C., Kenney-Benson, C., and Evans, W. J. Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature.  United States: N. p., 2017. 
Web.  doi:10.1038/s41467-017-01411-9.

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                    Lipp, M. J., Jenei, Zs., Cynn, H., Kono, Y., Park, C., Kenney-Benson, C., & Evans, W. J. Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature.  United States.  https://doi.org/10.1038/s41467-017-01411-9

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                    Lipp, M. J., Jenei, Zs., Cynn, H., Kono, Y., Park, C., Kenney-Benson, C., and Evans, W. J. Tue .  
"Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature".  United States.  https://doi.org/10.1038/s41467-017-01411-9.  https://www.osti.gov/servlets/purl/1410020.

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@article{osti_1410020,

  title        = {Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature},

  author       = {Lipp, M. J. and Jenei, Zs. and Cynn, H. and Kono, Y. and Park, C. and Kenney-Benson, C. and Evans, W. J.},

  abstractNote = {Here, the longitudinal and transverse sound speeds, cL and cT, of polycrystalline cerium were measured isothermally vs pressure up to the critical temperature across the iso-structural γ-α volume collapse (VC) phase transition. We deduce values for the adiabatic bulk modulus BS, the shear modulus G = ρcT2, the Poisson’s ratio ν and the Debye temperature, θD(p). We find that the elastic constant C12 is solely responsible for the decrease of BS with pressure towards the VC at RT. With increasing temperature, the lattice contribution ΔSvib(γ→α) to the total entropy change across the VC decreases more rapidly to zero than the total entropy itself suggesting that another mechanism, possibly disorder, assists in stabilizing the γ-phase entropically against the α-phase. Also, with increasing temperature, the Poisson’s ratio becomes negative near the VC transition, meaning that cerium metal takes on auxetic characteristics over a small pressure range. At the critical point the Poisson’s ratio ought to be -1, since the isothermal bulk modulus vanishes and the shear modulus remains nonzero.},

  doi          = {10.1038/s41467-017-01411-9},

  journal      = {Nature Communications},

  number       = ,

  volume       = 8,

  place        = {United States},

  year         = {Tue Oct 31 00:00:00 EDT 2017},

  month        = {Tue Oct 31 00:00:00 EDT 2017}

}

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Works referenced in this record:

Poisson's ratio and modern materials
journal, October 2011

Greaves, G. N.; Greer, A. L.; Lakes, R. S.
Nature Materials, Vol. 10, Issue 11
DOI: 10.1038/nmat3134

Probing the $γ − α$ Transition in Bulk Ce under Pressure: A Direct Investigation by Resonant Inelastic X-Ray Scattering
journal, June 2006

Rueff, J. -P.; Itié, J. -P.; Taguchi, M.
Physical Review Letters, Vol. 96, Issue 23
DOI: 10.1103/PhysRevLett.96.237403

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure
journal, May 2014

Wang, Zhigang; Bi, Yan; Xu, Liang
Materials Research Express, Vol. 1, Issue 2
DOI: 10.1088/2053-1591/1/2/026501

The lattice dynamics of α- and γ-Ce: a first-principles approach
journal, October 2007

Huang, Li; Chen, Chang-An
Journal of Physics: Condensed Matter, Vol. 19, Issue 47
DOI: 10.1088/0953-8984/19/47/476206

High Temperature-High Pressure Structural Studies of Cerium
journal, January 2002

Schiwek, A.; Porsch, F.; Holzapfel, W. B.
High Pressure Research, Vol. 22, Issue 2
DOI: 10.1080/08957950212799

The α-γ transition in cerium is a Mott transition
journal, September 1974

Johansson, Börje
Philosophical Magazine, Vol. 30, Issue 3
DOI: 10.1080/14786439808206574

High Temperature-High Pressure Structural Studies of Cerium
journal, January 2002

Schiwek, A.; Porsch, F.; Holzapfel, W. B.
High Pressure Research, Vol. 22, Issue 2
DOI: 10.1080/08957950212799

Mixed valencies: Structure of phase diagrams, lattice properties and the consequences of electron hole symmetry
journal, September 1979

Entel, P.; Grewe, N.
Zeitschrift f�r Physik B Condensed Matter and Quanta, Vol. 34, Issue 3
DOI: 10.1007/bf01325617

First-Order Liquid-Liquid Phase Transition in Cerium
journal, March 2013

Cadien, A.; Hu, Q. Y.; Meng, Y.
Physical Review Letters, Vol. 110, Issue 12
DOI: 10.1103/physrevlett.110.125503

Poisson's ratio and modern materials
journal, October 2011

Greaves, G. N.; Greer, A. L.; Lakes, R. S.
Nature Materials, Vol. 10, Issue 11
DOI: 10.1038/nmat3134

First observation of a negative elastic constant in intermediate valent TmSe
journal, August 1980

Boppart, H.; Treindl, A.; Wachter, P.
Solid State Communications, Vol. 35, Issue 6
DOI: 10.1016/0038-1098(80)90253-7

Magnetic states of α- and γ-Ce at high pressure
journal, January 1995

Naka, Takashi; Matsumoto, Takehiko; Môri, Nobuo
Physica B: Condensed Matter, Vol. 205, Issue 1
DOI: 10.1016/0921-4526(94)00221-G

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures
journal, February 2011

Kono, Yoshio; Yamada, Akihiro; Wang, Yanbin
Review of Scientific Instruments, Vol. 82, Issue 2
DOI: 10.1063/1.3552185

The Compressibility and Pressure Coefficient of Resistance of Ten Elements
journal, January 1927

Bridgman, P. W.
Proceedings of the American Academy of Arts and Sciences, Vol. 62, Issue 8
DOI: 10.2307/25130122

Negative elastic constants in intermediate valent SmxLa1−xS
journal, November 1995

Schärer, U.; Wachter, P.
Solid State Communications, Vol. 96, Issue 7
DOI: 10.1016/0038-1098(95)00418-1

Role of thermal disorder for magnetism and the $α$ - $γ$ transition in cerium: Results from density-functional theory
journal, May 2014

Jarlborg, T.
Physical Review B, Vol. 89, Issue 18
DOI: 10.1103/physrevb.89.184426

Melting of iron at the physical conditions of the Earth's core
journal, January 2004

Nguyen, Jeffrey H.; Holmes, Neil C.
Nature, Vol. 427, Issue 6972
DOI: 10.1038/nature02248

α-γ transition in Ce. II. A detailed analysis of the Kondo volume-collapse model
journal, September 1992

Allen, J. W.; Liu, L. Z.
Physical Review B, Vol. 46, Issue 9
DOI: 10.1103/PhysRevB.46.5047

Thermodynamics of volume collapse transitions in cerium and related compounds
text, January 2005

Bustingorry, S.; Jagla, E. A.; Lorenzana, J.
arXiv
DOI: 10.48550/arxiv.cond-mat/0509489

Shock melting of cerium
journal, June 2010

Jensen, B. J.; Cherne, F. J.; Cooley, J. C.
Physical Review B, Vol. 81, Issue 21
DOI: 10.1103/PhysRevB.81.214109

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals
journal, September 2011

Moore, K. T.; Belhadi, L.; Decremps, F.
Acta Materialia, Vol. 59, Issue 15
DOI: 10.1016/j.actamat.2011.06.009

The magic of plutonium: 5f electrons and phase instability
journal, August 2004

Hecker, S. S.
Metallurgical and Materials Transactions A, Vol. 35, Issue 8
DOI: 10.1007/s11661-006-0200-1

Melting of iron at the physical conditions of the Earth's core
journal, January 2004

Nguyen, Jeffrey H.; Holmes, Neil C.
Nature, Vol. 427, Issue 6972
DOI: 10.1038/nature02248

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus
journal, June 2004

Darling, Kenneth L.; Gwanmesia, Gabriel D.; Kung, Jennifer
Physics of the Earth and Planetary Interiors, Vol. 143-144
DOI: 10.1016/j.pepi.2003.07.018

Diffusionless $γ ⇄ α$ Phase Transition in Polycrystalline and Single-Crystal Cerium
journal, February 2011

Decremps, F.; Belhadi, L.; Farber, D. L.
Physical Review Letters, Vol. 106, Issue 6
DOI: 10.1103/physrevlett.106.065701

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures
journal, February 2011

Kono, Yoshio; Yamada, Akihiro; Wang, Yanbin
Review of Scientific Instruments, Vol. 82, Issue 2
DOI: 10.1063/1.3552185

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium
journal, May 2014

Lipp, M. J.; Jenei, Zs; Ruddle, D.
Journal of Physics: Conference Series, Vol. 500, Issue 3
DOI: 10.1088/1742-6596/500/3/032011

The Compressibility and Pressure Coefficient of Resistance of Ten Elements
journal, January 1927

Bridgman, P. W.
Proceedings of the American Academy of Arts and Sciences, Vol. 62, Issue 8
DOI: 10.2307/25130122

Negative elastic constants in intermediate valent SmxLa1−xS
journal, November 1995

Schärer, U.; Wachter, P.
Solid State Communications, Vol. 96, Issue 7
DOI: 10.1016/0038-1098(95)00418-1

Preparation and characterization of single crystal samples for high-pressure experiments
journal, March 2006

Farber, D. L.; Antonangeli, D.; Aracne, C. M.
High Pressure Research, Vol. 26, Issue 1
DOI: 10.1080/08957950500502531

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution
journal, July 2013

Lipp, M. J.; Kono, Y.; Jenei, Zs
Journal of Physics: Condensed Matter, Vol. 25, Issue 34
DOI: 10.1088/0953-8984/25/34/345401

Interplay of spin-orbit and entropic effects in Cerium
text, January 2014

Lanatà, Nicola; Yao, Yong-Xin; Wang, Cai-Zhuang
arXiv
DOI: 10.48550/arxiv.1408.2815

Single-crystal elastic constants of γ-cerium
journal, September 1980

Greiner, J. D.; McMasters, O. D.; Smith, J. F.
Scripta Metallurgica, Vol. 14, Issue 9
DOI: 10.1016/0036-9748(80)90372-5

Calculated Phase Diagram for the $γ ⇌ α$ Transition in Ce
journal, March 1995

Johansson, B.; Abrikosov, I. A.; Aldén, M.
Physical Review Letters, Vol. 74, Issue 12
DOI: 10.1103/PhysRevLett.74.2335

Simultaneous structure and elastic wave velocity measurement of SiO ₂ glass at high pressures and high temperatures in a Paris-Edinburgh cell
journal, March 2012

Kono, Yoshio; Park, Changyong; Sakamaki, Tatsuya
Review of Scientific Instruments, Vol. 83, Issue 3
DOI: 10.1063/1.3698000

Simultaneous structure and elastic wave velocity measurement of SiO ₂ glass at high pressures and high temperatures in a Paris-Edinburgh cell
journal, March 2012

Kono, Yoshio; Park, Changyong; Sakamaki, Tatsuya
Review of Scientific Instruments, Vol. 83, Issue 3
DOI: 10.1063/1.3698000

Magnetism or bonding: A nearly periodic table of transition elements
journal, March 1983

Smith, J. L.; Kmetko, E. A.
Journal of the Less Common Metals, Vol. 90, Issue 1
DOI: 10.1016/0022-5088(83)90119-4

Magnetism or bonding: A nearly periodic table of transition elements
journal, March 1983

Smith, J. L.; Kmetko, E. A.
Journal of the Less Common Metals, Vol. 90, Issue 1
DOI: 10.1016/0022-5088(83)90119-4

Thermodynamics of volume-collapse transitions in cerium and related compounds
journal, November 2005

Bustingorry, S.; Jagla, E. A.; Lorenzana, J.
Acta Materialia, Vol. 53, Issue 19
DOI: 10.1016/j.actamat.2005.07.027

The Structure of Cerium at the Temperature of Liquid Air
journal, January 1950

Schuch, A. F.; Sturdivant, J. H.
The Journal of Chemical Physics, Vol. 18, Issue 1
DOI: 10.1063/1.1747434

Magnetic Susceptibility of Cerium Metal Under Pressure
journal, January 1971

MacPherson, M. R.; Everett, G. E.; Wohlleben, D.
Physical Review Letters, Vol. 26, Issue 1
DOI: 10.1103/PhysRevLett.26.20

Elastic properties of Pu metal and Pu-Ga alloys
journal, June 2010

Söderlind, Per; Landa, Alex; Klepeis, J. E.
Physical Review B, Vol. 81, Issue 22
DOI: 10.1103/PhysRevB.81.224110

Phonon Dispersions of fcc -Plutonium-Gallium by Inelastic X-ray Scattering
journal, August 2003

Wong, J.
Science, Vol. 301, Issue 5636
DOI: 10.1126/science.1087179

Volume collapse in the Kondo lattice
journal, July 1982

Lavagna, M.; Lacroix, C.; Cyrot, M.
Physics Letters A, Vol. 90, Issue 4
DOI: 10.1016/0375-9601(82)90689-2

Single-crystal elastic constants of γ-cerium
journal, September 1980

Greiner, J. D.; McMasters, O. D.; Smith, J. F.
Scripta Metallurgica, Vol. 14, Issue 9
DOI: 10.1016/0036-9748(80)90372-5

Lattice and spin dynamics of $γ$ -Ce
journal, June 1979

Stassis, C.; Gould, T.; McMasters, O. D.
Physical Review B, Vol. 19, Issue 11
DOI: 10.1103/PhysRevB.19.5746

The magic of plutonium: 5f electrons and phase instability
journal, August 2004

Hecker, S. S.
Metallurgical and Materials Transactions A, Vol. 35, Issue 8
DOI: 10.1007/s11661-006-0200-1

Role of the Lattice in the $γ \to α$ Phase Transition of Ce: A High-Pressure Neutron and X-Ray Diffraction Study
journal, March 2004

Jeong, I. -K.; Darling, T. W.; Graf, M. J.
Physical Review Letters, Vol. 92, Issue 10
DOI: 10.1103/physrevlett.92.105702

Role of the lattice in the two-step evolution of $γ$ -cerium under pressure
journal, October 2009

Decremps, F.; Antonangeli, D.; Amadon, B.
Physical Review B, Vol. 80, Issue 13
DOI: 10.1103/PhysRevB.80.132103

Negative Poisson's ratios as a common feature of cubic metals
journal, March 1998

Baughman, Ray H.; Shacklette, Justin M.; Zakhidov, Anvar A.
Nature, Vol. 392, Issue 6674
DOI: 10.1038/32842

Foam Structures with a Negative Poisson's Ratio
journal, February 1987

Lakes, R.
Science, Vol. 235, Issue 4792
DOI: 10.1126/science.235.4792.1038

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio
journal, July 1992

Yeganeh-Haeri, A.; Weidner, D. J.; Parise, J. B.
Science, Vol. 257, Issue 5070
DOI: 10.1126/science.257.5070.650

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus
journal, June 2004

Darling, Kenneth L.; Gwanmesia, Gabriel D.; Kung, Jennifer
Physics of the Earth and Planetary Interiors, Vol. 143-144
DOI: 10.1016/j.pepi.2003.07.018

Interplay of spin-orbit and entropic effects in cerium
journal, October 2014

Lanatà, Nicola; Yao, Yong-Xin; Wang, Cai-Zhuang
Physical Review B, Vol. 90, Issue 16
DOI: 10.1103/PhysRevB.90.161104

Phonons of the anomalous element cerium
journal, May 2011

Krisch, M.; Farber, D. L.; Xu, R.
Proceedings of the National Academy of Sciences, Vol. 108, Issue 23
DOI: 10.1073/pnas.1015945108

The $α − γ$ Transition of Cerium Is Entropy Driven
journal, February 2006

Amadon, B.; Biermann, S.; Georges, A.
Physical Review Letters, Vol. 96, Issue 6
DOI: 10.1103/PhysRevLett.96.066402

Interplay of spin-orbit and entropic effects in Cerium
text, January 2014

Lanatà, Nicola; Yao, Yong-Xin; Wang, Cai-Zhuang
arXiv
DOI: 10.48550/arxiv.1408.2815

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio
journal, July 1992

Yeganeh-Haeri, A.; Weidner, D. J.; Parise, J. B.
Science, Vol. 257, Issue 5070
DOI: 10.1126/science.257.5070.650

Preparation and characterization of single crystal samples for high-pressure experiments
journal, March 2006

Farber, D. L.; Antonangeli, D.; Aracne, C. M.
High Pressure Research, Vol. 26, Issue 1
DOI: 10.1080/08957950500502531

Foam Structures with a Negative Poisson's Ratio
journal, February 1987

Lakes, R.
Science, Vol. 235, Issue 4792
DOI: 10.1126/science.235.4792.1038

Volume collapse in the Kondo lattice
journal, July 1982

Lavagna, M.; Lacroix, C.; Cyrot, M.
Physics Letters A, Vol. 90, Issue 4
DOI: 10.1016/0375-9601(82)90689-2

Comment on “Thermal Signatures of the Kondo Volume Collapse in Cerium”
journal, May 2009

Johansson, B.; Ruban, A. V.; Abrikosov, I. A.
Physical Review Letters, Vol. 102, Issue 18
DOI: 10.1103/PhysRevLett.102.189601

First observation of a negative elastic constant in intermediate valent TmSe
journal, August 1980

Boppart, H.; Treindl, A.; Wachter, P.
Solid State Communications, Vol. 35, Issue 6
DOI: 10.1016/0038-1098(80)90253-7

Critical behavior of an Ising model on a cubic compressible lattice
journal, March 1976

Bergman, D. J.; Halperin, B. I.
Physical Review B, Vol. 13, Issue 5
DOI: 10.1103/PhysRevB.13.2145

The α-γ transition in cerium is a Mott transition
journal, September 1974

Johansson, Börje
Philosophical Magazine, Vol. 30, Issue 3
DOI: 10.1080/14786439808206574

Kondo Volume Collapse and the $γ \to α$ Transition in Cerium
journal, October 1982

Allen, J. W.; Martin, Richard M.
Physical Review Letters, Vol. 49, Issue 15
DOI: 10.1103/PhysRevLett.49.1106

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals
journal, September 2011

Moore, K. T.; Belhadi, L.; Decremps, F.
Acta Materialia, Vol. 59, Issue 15
DOI: 10.1016/j.actamat.2011.06.009

The Structure of Cerium at the Temperature of Liquid Air
journal, January 1950

Schuch, A. F.; Sturdivant, J. H.
The Journal of Chemical Physics, Vol. 18, Issue 1
DOI: 10.1063/1.1747434

Screening of $4 f$ moments and delocalization in the compressed light rare earths
journal, December 2009

McMahan, A. K.; Scalettar, R. T.; Jarrell, M.
Physical Review B, Vol. 80, Issue 23
DOI: 10.1103/physrevb.80.235105

Thermodynamics of volume collapse transitions in cerium and related compounds
text, January 2005

Bustingorry, S.; Jagla, E. A.; Lorenzana, J.
arXiv
DOI: 10.48550/arxiv.cond-mat/0509489

Thermal Signatures of the Kondo Volume Collapse in Cerium
journal, October 2008

Lipp, M. J.; Jackson, D.; Cynn, H.
Physical Review Letters, Vol. 101, Issue 16
DOI: 10.1103/PhysRevLett.101.165703

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium
journal, May 2014

Lipp, M. J.; Jenei, Zs; Ruddle, D.
Journal of Physics: Conference Series, Vol. 500, Issue 3
DOI: 10.1088/1742-6596/500/3/032011

$4 f$ electron delocalization and volume collapse in praseodymium metal
journal, March 2012

Bradley, Joseph A.; Moore, Kevin T.; Lipp, Magnus J.
Physical Review B, Vol. 85, Issue 10
DOI: 10.1103/PhysRevB.85.100102

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution
journal, July 2013

Lipp, M. J.; Kono, Y.; Jenei, Zs
Journal of Physics: Condensed Matter, Vol. 25, Issue 34
DOI: 10.1088/0953-8984/25/34/345401

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure
journal, May 2014

Wang, Zhigang; Bi, Yan; Xu, Liang
Materials Research Express, Vol. 1, Issue 2
DOI: 10.1088/2053-1591/1/2/026501

The lattice dynamics of α- and γ-Ce: a first-principles approach
journal, October 2007

Huang, Li; Chen, Chang-An
Journal of Physics: Condensed Matter, Vol. 19, Issue 47
DOI: 10.1088/0953-8984/19/47/476206

Thermodynamics of the Ce $γ – α$ transition: Density-functional study
journal, September 2008

Wang, Y.; Hector, L. G.; Zhang, H.
Physical Review B, Vol. 78, Issue 10
DOI: 10.1103/PhysRevB.78.104113

Thermodynamics of theα−γtransition in cerium studied by an LDA + Gutzwiller method
journal, March 2015

Tian, Ming-Feng; Song, Hai-Feng; Liu, Hai-Feng
Physical Review B, Vol. 91, Issue 12
DOI: 10.1103/PhysRevB.91.125148

Temperature dependence of elastic moduli of polycrystalline β plutonium
journal, August 2011

Suzuki, Yoko; Fanelli, V. R.; Betts, J. B.
Physical Review B, Vol. 84, Issue 6
DOI: 10.1103/PhysRevB.84.064105

X-ray Emission Spectroscopy of Cerium Across the $γ − α$ Volume Collapse Transition
journal, November 2012

Lipp, M. J.; Sorini, A. P.; Bradley, J.
Physical Review Letters, Vol. 109, Issue 19
DOI: 10.1103/PhysRevLett.109.195705

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Theoretical investigation on TbTe for its structural, electronic, magnetic, and thermodynamic stuffs has been carried within density functional theory (DFT) as implemented in WIEN2K code. TbTe was found stable in ferromagnetic phase. The calculated ground-state parameters were found in a good agreement with the experimental data. The compound was found to have a structural stability in cubic B1 (NaCl-type structure) phase, but under the application of high pressure (at 27 GPa), it undergone to B2 (CsCl-type structure) phase of pressure. The second-order elastic constants and mechanical properties like Young’s modulus, Shear modulus, Poisson ratio, Cauchy pressure (C{sub 12}–C{sub 44}), andmore »« less
https://doi.org/10.1007/S10948-018-4653-4
First Principle Mechanical and Thermodynamic Properties of Some TbX (X = S, Se) Compounds

Journal Article Tripathi, S. N., E-mail: surendra.tripathi200@gmail.com ; Srivastava, Vipul ; Sanyal, S. P. - Journal of Superconductivity and Novel Magnetism

The mechanical and thermodynamic results of some terbium chalcogenides, TbX (X = S, Se) compounds have been examined using full-potential linear augmented plane wave (FP-LAPW) method based on density functional theory. The local spin density approximation with Hubbard potential (LSDA+U) has been used for proper treatment of 4f-electrons of Tb. The magnetic moment of TbS and TbSe was calculated to be 5.44μ{sub B} and 5.57μ{sub B}, respectively. The ground state properties such as lattice parameter, bulk modulus, and pressure derivative of bulk modulus were obtained and found in good agreement with already available theory and experiment results. The mechanical properties such asmore »« less
https://doi.org/10.1007/S10948-019-5052-1
Effect of Temperature and Pressure on Structural and Magnetic Properties of Strontium-Filled Skutterudites SrT{sub 4}Sb{sub 12}: LDA and LSDA Calculations

Journal Article Amari, Malika ; Ameri, Mohammed ; Bouyakoub, Amel Zahira ; ... - Journal of Superconductivity and Novel Magnetism

The structural, elastic, thermodynamic, magnetic, and electronic properties of strontium-filled skutterudite component SrFe{sub 4}Sb{sub 12} using the full potential-linear muffin-tin orbital (FP-LMTO) calculation were studied. The local density approximation (LDA) and local spin density approximation (LSDA) for predicting the physical properties were used. The internal parameters used to calculate the ground state properties such as lattice constant, bulk modulus, and its derivative pressure were optimized. Then, we have deduced the elastic constants, shear modulus G, Young modulus E, Poisson’s ratio ν, anisotropic parameter A, ratio B/G, and the Debye temperature (𝜃{sub D}). The quasi-harmonic Debye model as implemented in themore »« less
https://doi.org/10.1007/S10948-017-4268-1

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Title: Elastic Properties across the y→α Volume Collapse in Cerium versus Pressure and Temperature

Abstract

Citation Formats

Poisson's ratio and modern materials journal, October 2011

Probing the γ − α Transition in Bulk Ce under Pressure: A Direct Investigation by Resonant Inelastic X-Ray Scattering journal, June 2006

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure journal, May 2014

The lattice dynamics of α- and γ-Ce: a first-principles approach journal, October 2007

High Temperature-High Pressure Structural Studies of Cerium journal, January 2002

The α-γ transition in cerium is a Mott transition journal, September 1974

High Temperature-High Pressure Structural Studies of Cerium journal, January 2002

Mixed valencies: Structure of phase diagrams, lattice properties and the consequences of electron hole symmetry journal, September 1979

First-Order Liquid-Liquid Phase Transition in Cerium journal, March 2013

Poisson's ratio and modern materials journal, October 2011

First observation of a negative elastic constant in intermediate valent TmSe journal, August 1980

Magnetic states of α- and γ-Ce at high pressure journal, January 1995

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures journal, February 2011

The Compressibility and Pressure Coefficient of Resistance of Ten Elements journal, January 1927

Negative elastic constants in intermediate valent SmxLa1−xS journal, November 1995

Role of thermal disorder for magnetism and the α - γ transition in cerium: Results from density-functional theory journal, May 2014

Melting of iron at the physical conditions of the Earth's core journal, January 2004

α-γ transition in Ce. II. A detailed analysis of the Kondo volume-collapse model journal, September 1992

Thermodynamics of volume collapse transitions in cerium and related compounds text, January 2005

Shock melting of cerium journal, June 2010

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals journal, September 2011

The magic of plutonium: 5f electrons and phase instability journal, August 2004

Melting of iron at the physical conditions of the Earth's core journal, January 2004

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus journal, June 2004

Diffusionless γ ⇄ α Phase Transition in Polycrystalline and Single-Crystal Cerium journal, February 2011

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures journal, February 2011

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium journal, May 2014

The Compressibility and Pressure Coefficient of Resistance of Ten Elements journal, January 1927

Negative elastic constants in intermediate valent SmxLa1−xS journal, November 1995

Preparation and characterization of single crystal samples for high-pressure experiments journal, March 2006

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution journal, July 2013

Interplay of spin-orbit and entropic effects in Cerium text, January 2014

Single-crystal elastic constants of γ-cerium journal, September 1980

Calculated Phase Diagram for the γ ⇌ α Transition in Ce journal, March 1995

Simultaneous structure and elastic wave velocity measurement of SiO 2 glass at high pressures and high temperatures in a Paris-Edinburgh cell journal, March 2012

Simultaneous structure and elastic wave velocity measurement of SiO 2 glass at high pressures and high temperatures in a Paris-Edinburgh cell journal, March 2012

Magnetism or bonding: A nearly periodic table of transition elements journal, March 1983

Magnetism or bonding: A nearly periodic table of transition elements journal, March 1983

Thermodynamics of volume-collapse transitions in cerium and related compounds journal, November 2005

The Structure of Cerium at the Temperature of Liquid Air journal, January 1950

Magnetic Susceptibility of Cerium Metal Under Pressure journal, January 1971

Elastic properties of Pu metal and Pu-Ga alloys journal, June 2010

Phonon Dispersions of fcc -Plutonium-Gallium by Inelastic X-ray Scattering journal, August 2003

Volume collapse in the Kondo lattice journal, July 1982

Single-crystal elastic constants of γ-cerium journal, September 1980

Lattice and spin dynamics of γ -Ce journal, June 1979

The magic of plutonium: 5f electrons and phase instability journal, August 2004

Role of the Lattice in the γ → α Phase Transition of Ce: A High-Pressure Neutron and X-Ray Diffraction Study journal, March 2004

Role of the lattice in the two-step evolution of γ -cerium under pressure journal, October 2009

Negative Poisson's ratios as a common feature of cubic metals journal, March 1998

Foam Structures with a Negative Poisson's Ratio journal, February 1987

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio journal, July 1992

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus journal, June 2004

Interplay of spin-orbit and entropic effects in cerium journal, October 2014

Phonons of the anomalous element cerium journal, May 2011

The α − γ Transition of Cerium Is Entropy Driven journal, February 2006

Interplay of spin-orbit and entropic effects in Cerium text, January 2014

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio journal, July 1992

Preparation and characterization of single crystal samples for high-pressure experiments journal, March 2006

Foam Structures with a Negative Poisson's Ratio journal, February 1987

Volume collapse in the Kondo lattice journal, July 1982

Comment on “Thermal Signatures of the Kondo Volume Collapse in Cerium” journal, May 2009

First observation of a negative elastic constant in intermediate valent TmSe journal, August 1980

Critical behavior of an Ising model on a cubic compressible lattice journal, March 1976

The α-γ transition in cerium is a Mott transition journal, September 1974

Kondo Volume Collapse and the γ → α Transition in Cerium journal, October 1982

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals journal, September 2011

The Structure of Cerium at the Temperature of Liquid Air journal, January 1950

Screening of 4 f moments and delocalization in the compressed light rare earths journal, December 2009

Thermodynamics of volume collapse transitions in cerium and related compounds text, January 2005

Thermal Signatures of the Kondo Volume Collapse in Cerium journal, October 2008

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium journal, May 2014

4 f electron delocalization and volume collapse in praseodymium metal journal, March 2012

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution journal, July 2013

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure journal, May 2014

The lattice dynamics of α- and γ-Ce: a first-principles approach journal, October 2007

Thermodynamics of the Ce γ – α transition: Density-functional study journal, September 2008

Poisson's ratio and modern materials
journal, October 2011

Probing the $γ − α$ Transition in Bulk Ce under Pressure: A Direct Investigation by Resonant Inelastic X-Ray Scattering
journal, June 2006

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure
journal, May 2014

The lattice dynamics of α- and γ-Ce: a first-principles approach
journal, October 2007

High Temperature-High Pressure Structural Studies of Cerium
journal, January 2002

The α-γ transition in cerium is a Mott transition
journal, September 1974

High Temperature-High Pressure Structural Studies of Cerium
journal, January 2002

Mixed valencies: Structure of phase diagrams, lattice properties and the consequences of electron hole symmetry
journal, September 1979

First-Order Liquid-Liquid Phase Transition in Cerium
journal, March 2013

Poisson's ratio and modern materials
journal, October 2011

First observation of a negative elastic constant in intermediate valent TmSe
journal, August 1980

Magnetic states of α- and γ-Ce at high pressure
journal, January 1995

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures
journal, February 2011

The Compressibility and Pressure Coefficient of Resistance of Ten Elements
journal, January 1927

Negative elastic constants in intermediate valent SmxLa1−xS
journal, November 1995

Role of thermal disorder for magnetism and the $α$ - $γ$ transition in cerium: Results from density-functional theory
journal, May 2014

Melting of iron at the physical conditions of the Earth's core
journal, January 2004

α-γ transition in Ce. II. A detailed analysis of the Kondo volume-collapse model
journal, September 1992

Thermodynamics of volume collapse transitions in cerium and related compounds
text, January 2005

Shock melting of cerium
journal, June 2010

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals
journal, September 2011

The magic of plutonium: 5f electrons and phase instability
journal, August 2004

Melting of iron at the physical conditions of the Earth's core
journal, January 2004

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus
journal, June 2004

Diffusionless $γ ⇄ α$ Phase Transition in Polycrystalline and Single-Crystal Cerium
journal, February 2011

Combined ultrasonic elastic wave velocity and microtomography measurements at high pressures
journal, February 2011

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium
journal, May 2014

The Compressibility and Pressure Coefficient of Resistance of Ten Elements
journal, January 1927

Negative elastic constants in intermediate valent SmxLa1−xS
journal, November 1995

Preparation and characterization of single crystal samples for high-pressure experiments
journal, March 2006

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution
journal, July 2013

Interplay of spin-orbit and entropic effects in Cerium
text, January 2014

Single-crystal elastic constants of γ-cerium
journal, September 1980

Calculated Phase Diagram for the $γ ⇌ α$ Transition in Ce
journal, March 1995

Simultaneous structure and elastic wave velocity measurement of SiO ₂ glass at high pressures and high temperatures in a Paris-Edinburgh cell
journal, March 2012

Simultaneous structure and elastic wave velocity measurement of SiO ₂ glass at high pressures and high temperatures in a Paris-Edinburgh cell
journal, March 2012

Magnetism or bonding: A nearly periodic table of transition elements
journal, March 1983

Magnetism or bonding: A nearly periodic table of transition elements
journal, March 1983

Thermodynamics of volume-collapse transitions in cerium and related compounds
journal, November 2005

The Structure of Cerium at the Temperature of Liquid Air
journal, January 1950

Magnetic Susceptibility of Cerium Metal Under Pressure
journal, January 1971

Elastic properties of Pu metal and Pu-Ga alloys
journal, June 2010

Phonon Dispersions of fcc -Plutonium-Gallium by Inelastic X-ray Scattering
journal, August 2003

Volume collapse in the Kondo lattice
journal, July 1982

Single-crystal elastic constants of γ-cerium
journal, September 1980

Lattice and spin dynamics of $γ$ -Ce
journal, June 1979

The magic of plutonium: 5f electrons and phase instability
journal, August 2004

Role of the Lattice in the $γ \to α$ Phase Transition of Ce: A High-Pressure Neutron and X-Ray Diffraction Study
journal, March 2004

Role of the lattice in the two-step evolution of $γ$ -cerium under pressure
journal, October 2009

Negative Poisson's ratios as a common feature of cubic metals
journal, March 1998

Foam Structures with a Negative Poisson's Ratio
journal, February 1987

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio
journal, July 1992

Ultrasonic measurements of the sound velocities in polycrystalline San Carlos olivine in multi-anvil, high-pressure apparatus
journal, June 2004

Interplay of spin-orbit and entropic effects in cerium
journal, October 2014

Phonons of the anomalous element cerium
journal, May 2011

The $α − γ$ Transition of Cerium Is Entropy Driven
journal, February 2006

Interplay of spin-orbit and entropic effects in Cerium
text, January 2014

Elasticity of agr-Cristobalite: A Silicon Dioxide with a Negative Poisson's Ratio
journal, July 1992

Preparation and characterization of single crystal samples for high-pressure experiments
journal, March 2006

Foam Structures with a Negative Poisson's Ratio
journal, February 1987

Volume collapse in the Kondo lattice
journal, July 1982

Comment on “Thermal Signatures of the Kondo Volume Collapse in Cerium”
journal, May 2009

First observation of a negative elastic constant in intermediate valent TmSe
journal, August 1980

Critical behavior of an Ising model on a cubic compressible lattice
journal, March 1976

The α-γ transition in cerium is a Mott transition
journal, September 1974

Kondo Volume Collapse and the $γ \to α$ Transition in Cerium
journal, October 1982

Watching a metal collapse: Examining cerium’s γ↔α transformation using X-ray diffraction of compressed single and polycrystals
journal, September 2011

The Structure of Cerium at the Temperature of Liquid Air
journal, January 1950

Screening of $4 f$ moments and delocalization in the compressed light rare earths
journal, December 2009

Thermodynamics of volume collapse transitions in cerium and related compounds
text, January 2005

Thermal Signatures of the Kondo Volume Collapse in Cerium
journal, October 2008

Equation of state measurements by radiography provide evidence for a liquid-liquid phase transition in cerium
journal, May 2014

$4 f$ electron delocalization and volume collapse in praseodymium metal
journal, March 2012

Strength and Debye temperature measurements of cerium across the γ → α volume collapse: the lattice contribution
journal, July 2013

Elasticity of cerium up to 4.4 GPa by sound velocity measurements under hydrostatic pressure
journal, May 2014

The lattice dynamics of α- and γ-Ce: a first-principles approach
journal, October 2007

Thermodynamics of the Ce $γ – α$ transition: Density-functional study
journal, September 2008

Thermodynamics of theα−γtransition in cerium studied by an LDA + Gutzwiller method
journal, March 2015

Temperature dependence of elastic moduli of polycrystalline β plutonium
journal, August 2011

X-ray Emission Spectroscopy of Cerium Across the $γ − α$ Volume Collapse Transition
journal, November 2012