Table 4 Number of atoms in a specific CN configuration per supercell, in several amorphous models
| Â | CN | Number of atoms per supercell | ||
|---|---|---|---|---|
Ge | Sb | Te | ||
GST-147 | 1 | 0.1 (0.0) | 1.8 (0.0) | 3.6 (0.6) |
2 | 0.4 (0.0) | 8.2 (0.5) | 16.4 (54.3) | |
3 | 2.7 (3.3) | 11.8 (42.8) | 49.2 (83.5) | |
4 | 12.5 (14.4) | 28.7 (37) | 55.3 (19.7) | |
5 | 5.5 (4.6) | 27.8 (10.4) | 29.4 (2.8) | |
6 | 1.6 (1.0) | 13.5 (1.4) | 7.0 (0.0) | |
7 | 0.1 (0.0) | 0.2 (0.0) | 0.2 (0.0) | |
8 | 0.0 (0.0) | 0.0 (0.0) | 0.0 (0.0) | |
GST-124 | CN | Ge | Sb | Te |
1 | 0.0 (0.0) | 0.3 (0.0) | 0.7 (0.3) | |
2 | 0.2 (0.0) | 1.5 (0.0) | 13.2 (22.5) | |
3 | 2.3 (13.4) | 10.9 (2.8) | 52.8 (71.2) | |
4 | 17.7 (21) | 24.7 (17.6) | 61.2 (50.7) | |
5 | 14.3 (4.6) | 29.2 (33.6) | 27.3 (13.3) | |
6 | 5.5 (0.8) | 13.2 (22.5) | 4.7 (1.9) | |
7 | 0.0 (0.0) | 0.1 (3.2) | 0.1 (0.0) | |
8 | 0.0 (0.0) | 0.0 (0.0) | 0.0 (0.0) | |
GST-225 | CN | Ge | Sb | Te |
1 | 0.1 (0) | 0.1 (0.0) | 1.4 (0.1) | |
2 | 0.5 (0) | 1.1 (0) | 15.2 (29.6) | |
3 | 3.5 (5.1) | 7.5 (5.5) | 54.5 (76.5) | |
4 | 30.3 (31.3) | 18.3 (19.6) | 54.8 (38.3) | |
5 | 19.5 (18.5) | 22.1 (23.6) | 21.2 (5.3) | |
6 | 6.1 (4.7) | 10.7 (11) | 2.8 (0.2) | |
7 | 0.0 (0.5) | 0.1 (0.3) | 0.1 (0.0) | |
8 | 0.0 (0.0) | 0.0 (0.0) | 0.0 (0.0) | |
GST-326 | CN | Ge | Sb | Te |
1 | 0.2 (0.0) | 0.2 (0.0) | 0.9 (0) | |
2 | 0.8 (0.0) | 0.6 (0.0) | 10.3 (15.2) | |
3 | 5.8 (6.1) | 7.1 (2.4) | 45.1 (68.4) | |
4 | 37.7 (38.4) | 16.7 (12.4) | 62.6 (46.2) | |
5 | 23.0 (24.5) | 16.4 (18.8) | 26.7 (15.7) | |
6 | 7.6 (5.7) | 8.7 (15) | 4.3 (4) | |
7 | 0.1 (0.2) | 0.2 (1.4) | 0.1 (0.3) | |
8 | 0.0 (0.0) | 0.0 (0.0) | 0.0 (0.1) | |
Sb2Te3 | CN | Ge | Sb | Te |
1 | - | 0.4 (0) | 1.5 (0.2) | |
2 | - | 2.1 (0) | 18.9 (24.8) | |
3 | - | 12.7 (8.1) | 54.9 (84.1) | |
4 | - | 32.9 (30) | 62.5 (54.2) | |
5 | - | 42.8 (45) | 35.0 (15) | |
6 | - | 28.8 (32.0) | 7.0 (1.7) | |
7 | - | 0.4 (4.6) | 0.1 (0.1) | |
8 | - | 0.0 (0.3) | 0.0 (0.0) | |
CN | Ge | Sb | Te | |
GeTe | 1 | 0.7 (0.0) | - | 2.5 (0.0) |
2 | 2.5 (0.0) | - | 11.2 (17.5) | |
3 | 10.7 (20.2) | - | 53.3 (95.4) | |
4 | 77.7 (86.1) | - | 61.9 (33) | |
5 | 43.1 (36.2) | - | 18.9 (4) | |
6 | 15.2 (7.3) | - | 2.2 (0.1) | |
7 | 0.1 (0.1) | - | 0.0 (0.0) | |
8 | 0.0 (0.0) | - | 0.0 (0.0) | |
