Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi<sub>3</sub>(M = Zn, Cd)

Duan, Manyi; Tan, Jing; Ji, Guang-Fu; Chen, Xiren; Zhu, Jianguo

doi:10.12693/aphyspola.118.652

Cited by 6 publications

(3 citation statements)

References 29 publications

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“…This is consistent with general expectation that γ would be temperature independent at high temperatures above θ D . Decreases of γ at lower temperatures were reported for MgO, CaTiO 3 , MCNi 3 (where, M: Zn, Cd) and MgCNi 3 [29,[38][39][40]. As expected, the γ values calculated for HfB 2 in this study remains almost constant above θ D (∼565 K [34]), see figure 2.…”

Section: Resultssupporting

confidence: 83%

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂

Özkan¹,

Delice²,

Gasanly³

2022

Phys. Scr.

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Hafnium diboride (HfB2) is an ultra-high temperature ceramic that has attracted increased attention for its fascinating properties. In this study, temperature derivatives of the bulk modulus of HfB2 were calculated from room temperature up to 2273 K by using the relevant theoretical thermodynamic equations for the bulk modulus. The equations used involve the parameters as the enthalpy, thermal expansion and heat capacity in addition to the Anderson Grüneisen parameter. The calculations were performed using the pressure derivative of the bulk modulus for the Anderson Grüneisen parameter and the experimental temperature dependent values for the other parameters of the used equations. Temperature derivatives of the bulk modulus of HfB2 were found to be, −0.012/−0.013 GPa K−1 at 293 K and −0.015/−0.016 GPa K−1 at 2273 K. These values are in good agreement with the corresponding experimental data, and quite close to the corresponding values reported for ZrB2 and TiB2. However, the experimental temperature derivatives of the bulk moduli for the three diborides, TiB2, ZrB2, and HfB2 are quite smaller in magnitude than the corresponding theoretical values. The Grüneisen parameter of HfB2 decreases from 1.2 to about 1.0 with increasing temperature up to about 500 K, and then it has a small variation at higher temperatures. HfB2, with its high strength, high density and small temperature derivatives of the bulk modulus, may be useful for the aerodynamic and nuclear applications. The method presented in our studies is a practical way to predict temperature dependencies of the bulk moduli. This method may be more useful at ultra-high temperatures where the experimental bulk moduli measurements are quite difficult.

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Section: Resultssupporting

confidence: 83%

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂

Özkan¹,

Delice²,

Gasanly³

2022

Phys. Scr.

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“…Zhang et al 20) investigated the elastic constants and thermodynamic properties of MgCNi 3 under pressure. The thermodynamic properties of MCNi 3 (M ¼ Cd, Zn) 21) under pressures and temperatures are studied by first-principles calculations.…”

Section: -7)mentioning

confidence: 99%

Structural and Thermodynamic Properties of Perovskite-Type Superconductor ZnNNi<SUB>3</SUB> by First-Principles Calculations

Zhang

2011

Mater. Trans.

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The structural and thermodynamic properties of the non-oxide superconductor ZnNNi 3 are investigated by using ab initio plane-wave pseudo potential density functional theory method within the generalized gradient approximation (GGA). The calculated lattice constants, the bulk modulus and its pressure derivative, and elastic constants of ZnNNi 3 at zero temperature and pressure are in good agreement with the available theoretical and experimental data. The thermodynamic properties of ZnNNi 3 are predicted by using the quasi-harmonic Debye model. The pressure-volume-temperature (P-V-T) relationship, the bulk modulus B 0 and bulk modulus B, the variations of the thermal expansion coefficient and the heat capacity C V , C P with pressure P and temperature T, as well as the Grüneisen parameter-pressure-temperature (-P-T) relationships are obtained systematically in the ranges of 0-70 GPa and 0-1000 K.

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“…However, a rigid consensus has not been obtained yet about the origin of superconductivity in MgCNi 3 . Stimulated by the discovery of MgCNi 3 , several new antiperovskite compounds have been synthesized including two new superconductors, CdCNi 3 and ZnNNi 3 , and complementary theoretical studies have been performed, especially for these new superconductors [15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33].…”

Section: Introductionmentioning

confidence: 99%

Chemical Phase Separation of Superconductive and Ferromagnetic Domains inZnNNi3−xCox

Yamazaki

Uehara

Kozawa

et al. 2012

Advances in Condensed Matter Physics

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Various ZnNyNi3−xCoxcompounds with differing Co content,x, were synthesized, and their magnetic properties were investigated. Uniform solid solutions could not be obtained at low Co content (x<0.75); instead micrometer-scaled ferromagnetic ZnNyNi0.6Co2.4domains formed embedded within a superconductive ZnNNi3bulk, showing chemical phase separation of superconductive ZnNNi3and ferromagnetic ZnNyNi0.6Co2.4. At intermediate levels of Co concentration (0.75<x<2), this two-phase separation might persist, and the superconductive behavior was strongly suppressed in this composition region. Only at high Co concentration (x>2) the uniform ferromagnetic solid solution ZnNyNi3−xCox(with most likelyy=0.5) formed. The phase separation behavior is intrinsic to the system, reflecting the existence of a miscibility gap in ZnNyNi3−xCoxfor the samples withx<2, and was shown not to be attributable to incomplete synthesis. In the two-phased samples, high-quality granular contact between the superconductor and ferromagnet has been realized, suggesting that the production of useful devices requiring high-quality contacts between superconductors and ferromagnets may be possible by making use of this two-phase situation.

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Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi₃(M = Zn, Cd)

Cited by 6 publications

References 29 publications

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂

Structural and Thermodynamic Properties of Perovskite-Type Superconductor ZnNNi<SUB>3</SUB> by First-Principles Calculations

Chemical Phase Separation of Superconductive and Ferromagnetic Domains inZnNNi3−xCox

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Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi3(M = Zn, Cd)

Cited by 6 publications

References 29 publications

A method to predict temperature derivatives of the bulk modulus: A case study for HfB2

A method to predict temperature derivatives of the bulk modulus: A case study for HfB2

Structural and Thermodynamic Properties of Perovskite-Type Superconductor ZnNNi<SUB>3</SUB> by First-Principles Calculations

Chemical Phase Separation of Superconductive and Ferromagnetic Domains inZnNNi3−xCox

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Elastic and Thermodynamic Properties of Anti-Perovskite Type Superconductor MCNi₃(M = Zn, Cd)

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂

A method to predict temperature derivatives of the bulk modulus: A case study for HfB₂