Mechanical anisotropy and electronic properties of X2N2 (XH2 ): first-principles calculations*

Xiao-Zhen Li(李小珍),Meng-Jiang Xing(邢孟江)

Table 5. The calculated the maximum values, the minimum values, and ratio of Young’s modulus, shear modulus and Poisson’s ratio of X2 N2 (XH2 ) (X = C, Si, Ge) in (100) plane, (010) plane, and (001) plane.

(100) plane (010) plane (001) plane E max E min Ratio E max E min Ratio E max E min Ratio C2 N2 (CH2 ) 665 446 1.49 665 446 1.49 449 372 1.21 Si2 N2 (SiH2 ) 229 178 1.29 223 140 1.59 178 127 1.40 Ge2 N2 (GeH2 ) 170 129 1.32 170 101 1.68 129 102 1.27 (100) plane (010) plane (001) plane G max G min Ratio G max G min Ratio G max G min Ratio C2 N2 (CH2 ) 275 150 1.83 275 150 1.83 275 150 1.83 Si2 N2 (SiH2 ) 104 43 2.42 104 43 2.42 104 43 2.42 Ge2 N2 (GeH2 ) 74 36 2.06 74 36 2.06 74 36 2.06 (100) plane (010) plane (001) plane v max v min Ratio v max v min Ratio v max v min Ratio C2 N2 (CH2 ) 0.22 0.07 3.14 0.28 0.08 3.50 0.24 0.08 3.00 Si2 N2 (SiH2 ) 0.26 0.07 3.71 0.40 0.19 2.11 0.47 0.10 4.70 Ge2 N2 (GeH2 ) 0.29 0.07 4.14 0.39 0.14 2.76 0.41 0.11 3.73