Table 1 The structural distortion of cell i nearest to DW, as shown in Fig. 2a
From: Lone-pair activated ferroelectricity and stable charged domain wall in Bi monolayer
\({\theta }_{1}\) | \({\theta }_{2}\) | \({\theta }_{3}\) | \({\theta }_{4}\) | \({a}_{1}\) | \({a}_{2}\) | \({b}_{1}\) | \({b}_{2}\) | ||||
|---|---|---|---|---|---|---|---|---|---|---|---|
180° c-DW | 90 | 90 | 90 | 90 | 4.71 (0.66) | 4.71 (0.66) | 4.53 (0) | 4.53 (0) | |||
180° n-DW | 90 | 90 | 90 | 90 | 4.68 (0) | 4.68 (0) | 4.56 (0.75) | 4.56 (0.75) | |||
90° n-DW | 89.5 | 89.6 | 90.9 | 90.0 | 4.75 (1.47) | 4.67 (0.06) | 4.49 (0.84) | 4.53 (0.04) | |||
90° c-DW | 88.0 | 90.3 | 90.1 | 91.5 | 4.83 (3.19) | 4.70 (0.45) | 4.50 (0.72) | 4.53 (0.10) | |||
