1982 年 51 巻 5 号 p. 1510-1515
A tight-binding type electronic theory is used to calculate the core structure and core energy of both screw and 60° dislocations in Si. The repulsive interaction energies at short distances are simulated by a Born-Mayer potential. It is shown that the glide-set dissociated dislocations are more stable than the corresponding shuffle-set perfect dislocation. The calculated core structures and core energies are compared with those of previous theoretical calculations as well as with available experimental results.
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