Table 1 Structural parameters and effective 2D elastic, piezoelectric and static dielectric properties of single-layer hexagonal MoS2 and WS2 from self-consistent DFT calculations (relaxed-ion approximation).
From: One-dimensional electron gas in strained lateral heterostructures of single layer materials
Parameter | Units | MoS2 | WS2 | ||
|---|---|---|---|---|---|
Calculated | Other sources | Calculated | Other sources | ||
a 0 | Ã… | 3.185 | 3.16a, 3.19b | 3.188 | 3.15a, 3.19b |
C 11 | N/m | 133 | 130b | 146 | 144b |
C 12 | N/m | 33 | 32b | 32 | 31b |
e 11 | pC/m | 359 | 290 ± 50c, 364b | 249 | 247b |
x 11 | F | 7.4·10−20 | 7.5·10−20,d | 7.0 × 10−20 | 7.0 × 10−20,e |
