BiZnOLi.pptx
- 1. Zn-O
Defective
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-30
-15
0
15
30
PDOS
(a.u)
Oup
Odown
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-50
-25
0
25
50
PDOS
(a.u)
Znup
Zndown
-8 -7 -6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8
0
PDOS
(a.u)
Zn
O
- 2. Li-Zn-O
Defective
-8 -7 -6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8
0
PDOS
(a.u)
Zn
O
Li
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-0.10
-0.05
0.00
0.05
0.10
PDOS
(a.u)
Liup
Lidown
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-30
-15
0
15
30
PDOS
(a.u)
Oup
Odown
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-50
-25
0
25
PDOS
(a
Znup
Zndown
- 3. Bi-Li-Zn-O
Defective
-8 -7 -6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6 7 8
0
PDOS
(a.u)
Zn
O
Li
Bi
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-1.0
-0.5
0.0
0.5
1.0
PDOS
(a.u)
Biup
Bidown
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-0.10
-0.05
0.00
0.05
0.10
PDOS
(a.u)
Liup
Lidown
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-6 -5 -4 -3 -2 -1 0 1 2 3 4 5 6
-30
-15
0
15
30
PDOS
(a.u)
Oup
Odown