Geometries of edge and mixed dislocations in bcc Fe from first principles calculations

Michael R. Fellinger, Anne Marie Z. Tan, Louis G. Hector +1

We use DFT to compute core structures of $a_0[100](010)$ edge, $a_0[100](011)$ edge, $a_0/2[\bar{1}\bar{1}1](1\bar{1}0)$ edge, and $a_0/2[111](1\bar{1}0)$ $71^{\circ }$ mixed disloc…