ZnO

Cu₂O

ZnO/Cu₂O

LDA

GGA-PBE

Expt. [86]

LDA

GGA-PBE

Expt. [66]

LDA

GGA-PBE

a[A]

3.192

3.316

3.250

2.802

2.904

2.900

3.085

3.198

c[A]

5.190

5.336

5.207

4.393

4.496

3.862

9.479

9.701

B[GPa]

158.61

127.22

142.6

137.91

103.11

-

-

-

B’

4.48

4.73

3.6

4.45

4.34

-

-

-