Calculation of the Stacking Fault and Twin Boundary Energies of Body-Centered Cubic Sodium Metal Using Interaction Energy between Close-Packed Atomic Rows(Physics)

A new method of calculation of the stacking fault and twin boundary energies in bcc metal is presented. This method is based on the model in which bcc crystal is built up of a bundle of close-packed atomic rows. Applying pseudopotential method, interaction energy between the atomic rows has been calculated, and then the energy of the two types of stacking fault and the energy of twin boundary in bcc sodium has been calculated. This method is found to be free from the convergence problem and superior to that formerly presented by Rao