Self-consistent modeling of thermal and elastic properties of unconventional superconductor PuCoGa5

Filanovich, A. N.; Povzner, A. A.

doi:10.1016/j.physb.2016.03.026

Cited by 4 publications

(3 citation statements)

References 14 publications

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“…The best fit is obtained for V 0 = 120.090(3)Å 3 (c 0 = 6.7607(4)Å, a 0 = 4.2146(3)Å), γ = 5.2(4), and T E = 197(4) K. The values estimated by this simple model are in line with those obtained by selfconsistent calculations reported in Ref. 17. Moreover, the Grüneisen parameter has the order of magnitude reported for other mixed-valent Ce and U compounds, for instance CePd 3 , CeSn 3 , and UAl 2 [18].…”

Section: Experimental Details and Resultssupporting

confidence: 89%

Thermal expansion of the heavy-fermion superconductor PuCoGa5

Eloirdi¹,

Giacobbe²,

Celdran³

et al. 2017

Phys. Rev. B

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We have performed high-resolution powder x-ray diffraction measurements on a sample of 242 PuCoGa5, the heavy-fermion superconductor with the highest critical temperature Tc = 18.7 K. The results show that the tetragonal symmetry of its crystallographic lattice is preserved down to 2 K. Marginal evidence is obtained for an anomalous behaviour below Tc of the a and c lattice parameters. The observed thermal expansion is isotropic down to 150 K, and becomes anisotropic for lower temperatures. This gives a c/a ratio that decreases with increasing temperature to become almost constant above ∼150 K. The volume thermal expansion coefficient αV has a jump at Tc, a factor ∼20 larger than the change predicted by the Ehrenfest relation for a second order phase transition. The volume expansion deviates from the curve expected for the conventional anharmonic behaviour described by a simple Grüneisen-Einstein model. The observed differences are about ten times larger than the statistical error bars but are too small to be taken as an indication for the proximity of the system to a valence instability that is avoided by the superconducting state.PACS numbers:

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Section: Experimental Details and Resultssupporting

confidence: 89%

Thermal expansion of the heavy-fermion superconductor PuCoGa5

Eloirdi¹,

Giacobbe²,

Celdran³

et al. 2017

Phys. Rev. B

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“…where B 0 and V 0 are the 'starting' values of the bulk modulus and molar volume, which correspond to the 'constant' part of TDP Ф 0 and FE F 0 , and which are the fitting parameters of the model. Expressions for the contributions of acoustic and optical modes to the molar volume, bulk modulus and other thermodynamic quantities are obtained by differentiating the corresponding parts of TDP and FE [12]. Alongside with B 0 and V 0 SCTDM requires to specify five more parameters, which are the Poisson coefficient σ and generalized Grüneisen parameters: σ γ , * These parameters for a thermodynamic quantity f=f(T,V) at constant temperature are defined as…”

Section: Solid Compounds Of Transition Elementsmentioning

confidence: 99%

“…Self-consistent thermodynamic model (SCTDM). In this approach [12] we consider the Gibbs thermodynamic potential (TDP, the integral representation of which has the same form as the FE and differs only in the set of variables)…”

Section: Introductionmentioning

confidence: 99%

Phonon Anharmonicity and Thermodynamic Properties of Strongly Correlated Iron Monosilicide

Povzner

Filanovich

Nogovitsyna

2016

SSP

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Two computational approaches – a thermodynamic model based on results of ab initio calculations of the ground state and the self-consistent thermodynamic model have been applied to study thermal and elastic properties of iron monosilicide. It is shown that conventional DFT fails to reproduce experimental data for this strongly correlated compound. In addition, we have performed comparative analysis of anharmonicity of the acoustic and optical phonons in FeSi and their impact on the temperature dependencies of thermodynamic properties of FeSi.

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First-principles investigation on the structural, electronic, mechanical and thermodynamic properties of binary phase in Mg-1Si-3RE(RE = La, Ce) alloys

Dai

Han

et al. 2021

Materials Today Communications

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Self-consistent modeling of thermal and elastic properties of unconventional superconductor PuCoGa5

Cited by 4 publications

References 14 publications

Thermal expansion of the heavy-fermion superconductor PuCoGa5

Thermal expansion of the heavy-fermion superconductor PuCoGa5

Phonon Anharmonicity and Thermodynamic Properties of Strongly Correlated Iron Monosilicide

First-principles investigation on the structural, electronic, mechanical and thermodynamic properties of binary phase in Mg-1Si-3RE(RE = La, Ce) alloys

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