Table 6 The estimated values of isotropic bulk modulus B\(_{VRH}\), shear modulus G\(_{VRH}\), Young’s modulus E (all in GPa), B\(_H\)/G\(_H\) ratio and Poisson’s ratio (\(\sigma\)) for Cr\(_2\)AlN for this work in bold, obtained from their second order elastic constants C\(_{ij}\). Other theoretical results are also included for comparison.

From: Cr\(_2\)AlN and the search for the highest temperature superconductor in the M\(_2\)AX family

Phase

B\(_V\)

B\(_R\)

B\(_H\)

G\(_V\)

G\(_R\)

G\(_H\)

E

B\(_H\)/G\(_H\)

\(\sigma\)

Cr\(_2\) AlN

189.97

179.63

184.80

90.03

87.88

88.96

229.96

2.077

0.293

GGA32

 

177

181

88

86

87

 

2.10

 

GGA33

  

187.00

  

136.12

328.62

0.728

0.207

GGA34

186.43

175.872

181.15

95.55

93.63

94.59

241.697

1.915

0.278