Y–O hybridization in the ferroelectric transition of YMnO3
作者： Jinyoung Kim , Kyung Chul Cho , Yang Mo Koo , Kun Pyo Hong , Namsoo Shin
DOI: 10.1063/1.3233943
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摘要: The electron density distribution of paraelectric and ferroelectric YMnO3 are investigated by analyzing high temperature synchrotron radiation powder diffraction data using the maximum entropy method (MEM) MEM-based pattern fitting combined with Rietveld method. results show that chemical bonding orbital hybridization is established between Y in-plane O ions along polar c-axis below transition temperature. We suggest observed in phase driving force for ferroelectricity YMnO3.
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