System

a/Å

c/Å

c/a

ε(0/-)/eV

Pure-ZnO

3.281

5.277

1.608

-

N

3.271

5.302

1.621

0.33

N-S

3.306

5.358

1.621

0.72

2N-S

3.288

5.379

1.636

0.51

3N-S

3.286

5.376

1.635

0.30