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We are examining the possibility of the formation of charge order in thehigh-temperature superconductor $\mathrm{YBa_2Cu_3O_{7-\delta}}$ (YBCO) due tointeraction between the charged oxygen vacancies or di-vacancies. The moleculardynamics method is used to analyze the displacement fields around thesedefects. The distribution of displacements around a single charged oxygenvacancy and di-vacancy, determination of binding energy of oxygen vacancy indi-vacancy demonstrate that there is, in principle, the possibility of thecharge order formation in YBCO by charged oxygen vacancies or di-vacancies. Itis shown that the charge order formation first of all should be formed nearcrystal lattice defects and that the high-angle grain boundaries (GBs) regionsare preferable places for this formation. The adsorption capability ofhigh-angle GBs with respect to the stripe embryo formation is determined. It isshown that there is a proportional dependence between the repetition distancealong the high-angle GBs and an energy advantage of the stripe embryo formationin GBs.

Influence of high-angle grain boundaries on the charge order formation in the $\mathrm{YBa_2Cu_3O_{7-\delta}}$