Table 2: The Electronic and Structural Properties of α - Sn Crystal Obtained in the Present Work in Comparison with Other Results

Property Computational Experimental Value
Present Work Others
Lattice constant (a.u) 12.263 12.24 [2]
12.216 [1]
12.255 [30] (at R.T)
12.184 (at 0 K)
Cohesive energy (eV/atom) -3.144 -2.8 [5]
-3.723 [1]
-3.14 [27]
Valence band width (eV) 11.87 10.6 [5] -----
Direct band gap (eV) 1.76 2.6 [5] 0.0 [31]
Conduction band width (eV) 5.2 ------ -----
Hybridization state s1.37 p2.63 ----- ----