Abstract:The dislocation widths, Peierls barriers and Peierls stresses for shuffle screw dislocations in diamond structure crystals, Si and Ge, have been calculated by the improved P-N theory. The widths are about 0.6b, where b is the Burgers vector. The Peierls barrier for shuffle screw dislocation in Si and Ge, is about 3.61~4.61meV/Å and 5.31~13.32meV/Å, respectively. The Peierls stress is about 0.28~0.33GPa and 0.31~0.53GPa, respectively. The calculated Peierls barriers and stresses are likely the results of shuffle screw dislocation with metastable core which is centered on the bond between two atoms.