Table 2 Elastic parameters for the sodium niobate (NaNbO3) and sodium tantalate (NaTaO3): elastic stiffness coefficients (\({C}_{11}\), \({C}_{12}\) and \({C}_{44}\)), bulk modulus (B) and Zener’s constant (A).

From: First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites

Elastic parameters

NaNbO3

NaTaO3

\({C}_{11}\)(GPa)

407.12

272.62

\({C}_{12}\)(GPa)

69.08

51.28

\({C}_{44}\)(GPa)

72.80

56.42

B (GPa)

181.76

125.06

\(A\)

0.43

0.50

\({G}_{v}\)(GPa)

2.49

2.12

\({G}_{R}\)(GPa)

338.34

221.34

\(G\)(GPa)

233.5

159.1

\(E\)(GPa)

490.52

335.11

\(V\)

0.1

0.1

B/G

0.77

0.78

  1. \({G}_{v}\), \({G}_{R}\) and \(G\) are Voigt shear modulus, Reuss shear modulus, and mean of \({G}_{v}\) and \({G}_{R}\), respectively. E is the Elastic modulus, V is the Poisson’s ratio, B/G is the ratio of bulk to shear moduli. The elastic stiffness coefficients and other constants as well as pressure are in GPa and volume in bohr3.
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