Details

Autor(en) / Beteiligte

• Ahn, Suk-Jin
• Kim, Jinyoung
• Shin, Namsoo
• Koo, Yang-Mo

Titel

The covalent bonding interaction in the ferroelectric LuMnO3

Ist Teil von

• Journal of applied physics, 2011-10, Vol.110 (8)

Erscheinungsjahr

2011

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• 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.