The covalent bonding interaction in the ferroelectric LuMnO(3)
SCIE
SCOPUS
- Title
- The covalent bonding interaction in the ferroelectric LuMnO(3)
- Authors
- SukJin Ahn; Jinyoung Kim; Namsoo Shin; Koo, YM
- Date Issued
- 2011-10-15
- Publisher
- American Institute of Physics
- Abstract
- The electron density distributions of paraelectric and ferroelectric LuMnO3 are analyzed using high temperature synchrotron x-ray powder diffraction data with the Rietveld method, the maximum entropy method (MEM), and MEM-based pattern fitting. Bonding electrons due to orbital hybridization are clearly seen in the Lu1-O3 and Lu2-O4 bonds along the c-axis polarization direction. The Lu1-O3 bond was determined to be covalent due to hybridization below the ferroelectric transition temperature, and was identified as the driving force for ferroelectricity in LuMnO3. However, the Lu2-O4 bond shows covalent character in both paraelectric and ferroelectric states. Also, we suggest that the Lu2-O4 covalent bonding is responsible for large spontaneous polarization in LuMnO3, associated with the small radius of the Lu3+ ion. (C) 2011 American Institute of Physics. [doi:10.1063/1.3655986]
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/10640
- DOI
- 10.1063/1.3655986
- ISSN
- 0021-8979
- Article Type
- Article
- Citation
- JOURNAL OF APPLIED PHYSICS, vol. 110, no. 8, page. 84 - 112, 2011-10-15
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