Table 1 The total energy for different configurations
TM | S side (eV) | Se side (eV) | ||||
---|---|---|---|---|---|---|
TWS | HS | TS | TWSe | TSe | HSe | |
Co | −375.365 | −375.134 | −373.631 | −374.820 | −373.484 | −373.477 |
Fe | −376.865 | −376.584 | −374.894 | −376.386 | −374.373 | −375.394 |
Mn | −376.816 | −376.635 | −376.276 | −376.269 | −375.028 | −376.252 |
Cr | −377.387 | −377.177 | −376.909 | −377.089 | −376.797 | −373.477 |
V | −376.623 | −376.155 | −375.459 | −376.007 | −375.275 | −375.894 |