Effect of vacancies and interstitials on the dynamic properties of the La2−x SrxCuO4 superconductor

The effect of vacancies and interstitials in the CuO₂ layer on the vibrational spectrum in the La_2−x Sr_xCuO₄ system has been calculated by molecular dynamics. It is shown that the excitation probability for local ∼0.4-eV high-frequency vibrations of nonphonon origin in the vicinity of Sr impurity atoms decreases if copper vacancies are introduced at a concentration x=0.17, which corresponds to the maximum superconducting transition temperature, this decrease being still more effective (by about ten times) if interstitial atoms are present. The appearance of interstitials makes a considerable region around them (five to six nearest neighbors) quasi-amorphous. A comparison with available experimental data is made. It is concluded that the behavior of the system under irradiation is accounted for primarily by interstitials, which bring about strong perturbation in the lattice (∼1 nm) up to making it completely amorphous. Fiz. Tverd. Tela (St. Petersburg) 40, 984–988 (June 1998)