Table 2:
Structural Properties of zb-AlP at Zero Pressure Determined by LUC-CNDO Compared to other Theoretical Calculations and Experimental Data
Present Work
Computational
Experimental
A
0
(Å)
5.453
5.45 [
2
], 5.436 [
19
]
5.451 [
6
]
E
coh
(eV)
-8.33
-7.94 [
16
], -9.62 [
19
]
-8.34 [
18
]
B (GPa)
87.8
86.5 [
4
4], 89 [
19
]
90 [
2
], 86 [
6
]
B0'
3.852
4.18 [4], 4.14 [19]
4.34 [18]