Structural and mechanical properties of actinide pnictides

Bhardwaj, Purvee; Sarwan, Madhu; Dubey, R. K.; Singh, Sadhna

doi:10.1016/j.molstruc.2013.03.030

Cited by 16 publications

(14 citation statements)

References 21 publications

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“…Equation of state The understanding of EOS plays a very important role in both experimental and theoretical high pressure phase transition investigations of materials, because the study of EOS allows scientists to know more information on the nature of solid state theories and helps us to determine the values of several thermodynamic parameters [16]. Therefore, to study the structural parameters under pressure, the Vinet equation of state is usually used.…”

Section: Theoretical Results and Discussionmentioning

confidence: 99%

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Mechanical Behavior of Aluminum Phosphide under Pressure

Daoud

2018

Acta Phys. Pol. A

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With the help of structural parameters and elastic constants obtained previously in our work (S. Daoud, N. Boiud, N. Lebga, J. Optoelectron. Adv. Mater. 16, 207 (2014)), different empirical formulae were successfully used to investigate: equation of state, the isotropic shear modulus, the Young modulus, the Cauchy ratio, the Born ratio, the Poisson ratio, the Pugh ratio, the Kleinman parameter, and the converse piezoelectric coefficient of the aggregate AlP material with cubic zinc-blende structure under pressure up to experimental pressure of phase transition (9.5 GPa). In addition, the Debye temperature at equilibrium volume was predicted, the result obtained is in excellent agreement compared to the experimental ones, the deviation is less than 1.4%.

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Section: Theoretical Results and Discussionmentioning

confidence: 99%

“…Therefore, to study the structural parameters under pressure, the Vinet equation of state is usually used. The Vinet [17,18] form of EOS was given by following expression [16][17][18]:…”

Section: Theoretical Results and Discussionmentioning

confidence: 99%

Mechanical Behavior of Aluminum Phosphide under Pressure

Daoud

2018

Acta Phys. Pol. A

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“…The understanding of equation of state (EOS) is of primary interest in both the experimental and theoretical high pressure phase transition investigations [22]. The study of equation of state (EOS) helps to understand the nature of solid state theories and determines the values of fundamental thermodynamic parameters [22].…”

Section: Equation Of Statementioning

confidence: 99%

“…The study of equation of state (EOS) helps to understand the nature of solid state theories and determines the values of fundamental thermodynamic parameters [22]. So for studying P-V relation we have used the Vinet equation of state.…”

Section: Equation Of Statementioning

confidence: 99%

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Structural and electronic properties of boron- bismuth compound under pressure

Daoud

Lebga

2016

IJPR

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In the present work, we report first principles calculations of the pressure effect on the structural and electronic properties of BoronBismuth (BBi) compound in its zincblende phase. The pseudopotential plane wave (PPW) method in the framework of the density functional theory (DFT) within the local density approximation for the exchange-correlation functional, and the Hartwigzen-GoedeckerHutter (HGH) scheme for the pseudopotential were used in the calculation. The unit cell volume, the molecular and crystal densities, the equation of state and also the linear and quadratic pressure coefficients of the energy band-gaps are investigated.

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