Dopant Effects in the 1–2–3 Superconductor

Abstract

This paper will review recent atomistic simulations of the dopant properties of the YBa₂Cu₃O₇ (1-2-3) superconductor. The simulation techniques are essentially those used previously to study a rich variety of ceramic oxides. Divalent ion substitution for Cu is examined in relation to site-selectivity and changes in local structure. Doping on the Ba sublattice by rare-earth ions (e.g. La³⁺) and the alternative charge-compensating defects are also considered. Finally, the formation of Fe-O clusters in the Cu(1) basal plane is addressed in some detail.

Key Words:

• atomistic simulation
• superconductor
• defect
• dopant substitution
• cluster