Wyniki wyszukiwania - BazTech

Ograniczanie wyników

1 Materials Science Poland

1 2015

Znaleziono wyników: 1

Liczba wyników na stronie

Wyniki wyszukiwania

Wyszukiwano:
w słowach kluczowych: sodium chalcogenides

Sortuj według:

Ogranicz wyniki do:

FP-LAPW investigation of mechanical and thermodynamic properties of Na2X (X = S and Se) under pressure and temperature effects

Bidai K., Ameri M., Bensaid D, Moulay N. E., Al-Douri Y., Ameri I.

Materials Science Poland

2015

Vol. 33, No. 3

649--659

Structural, elastic and thermodynamic properties of sodium chalcogenides (Na2X, X = S, Se) have been calculated using FP-APW+lo method. The ground state lattice parameter, bulk moduli have been obtained. The Zener anisotropy factor, Poisson’s ratio, shear modulus, Young’s modulus, have also been calculated. The calculated structural and elastic constants are in good agreement with the available data. We also determined the thermodynamic properties, such as heat capacities Cv and Cp, thermal expansion α, entropy S, and Debye temperature ΘD, at various pressures and temperatures for Na2X compounds. The elastic constants under high pressure and temperature are also calculated and elaborated.