Effect of oxygen partial pressure on grain boundary structure and grain growth behavior in BaTiO3

Abstract

The structural transition of grain boundaries in BaTiO3 and related grain growth behaviors have been investigated for a wide range of oxygen partial pressures (P-O2). A correlation among P-O2 grain boundary structure and grain growth behavior has been found. At P-O2 = 0.2 atm, all of the grain boundaries were faceted and abnormal grain growth occurred with the assistance of {111} twins as in previous investigations. As P-O2 decreased below 10(-11) atm the formation of {111} twins was inhibited. At a moderately low P-O2 between 10(-11) and 10(-17) atm, grain growth was suppressed, although a small fraction, less than 10%, of the boundary was rough. With an increased fraction of rough boundaries on reduction of P-O2 to 4 x 10(-18) atm,. abnormal grain growth was observed for the first time in the absence of {111} twins in BaTiO3. Further increases in the rough fraction to similar to 80% changed the growth behavior to normal. These observations show that in BaTiO3, a variety of growth behaviors can result with reduction of P-O2: from abnormal with the assistance of {111} twins, stagnant without {111} twins, abnormal again without {111} twins to normal without {111} twins. The observed difference in growth behavior with P-O2 and grain boundary structure has been explained in terms of the change in step free energy and the critical driving force for appreciable migration of the boundary. (c) 2006 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.