Structural and Transport Properties of the Layered Cuprate Pr2CuO4статья
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Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
Аннотация:The structural and transport properties of the layered cuprate Pr2CuO4 have been studied in the temperature range 300-2100 K using molecular dynamics simulation. The first evidence is presented for a premelting effect in Pr2CuO4: disordering on one of its oxygen sites and abnormally fast oxygen diffusion at temperatures above 1700 K. We have clarified the microscopic mechanism of oxygen ion transport in this material. The large oxygen diffusion coefficient (D > 10(-7) cm(2)/s) obtained in our simulations of the layered cuprate Pr2CuO4 suggests that it has considerable potential as a host for electrode materials with mixed ionic-electronic conductivity.