Shell-Model Calculations of Lattice Mechanics and Defect Properties of Non-Stoichiometric and Doped RE(AE)_2Cu_3Ox 123-Structure Cuprate Superconductors (original) (raw)

Aps Meeting Abstracts, 2001

Abstract

An increasing number of applications of 123-structure high-Tc superconductors use compounds other than pure Y-123. In many bulk applications Y is replaced by Nd, Sm, or other rare-earth elements, and doping with Ca, Sr, and other alkaline earth elements has been utilized to improve grain boundary transport and other properties. In this paper we describe the development of shell models of ionic bonding in such materials and utilize them to discuss the energetics and thermodynamics of point defects, oxygen order, and the effects of stress, in comparison with the case of Y-123.

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