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4d-5p Orbital Mixing and Asymmetric In 4d-O 2p Hybridization in InMnO3: A New Bonding Mechanism for Hexagonal Ferroelectricity SCIE SCOPUS

Title
4d-5p Orbital Mixing and Asymmetric In 4d-O 2p Hybridization in InMnO3: A New Bonding Mechanism for Hexagonal Ferroelectricity
Authors
Oak, MALee, JHJang, HMGoh, JSChoi, HJScott, JF
Date Issued
2011-01-24
Publisher
AMER PHYSICAL SOC
Abstract
Recent studies on the ferroelectricity origin of YMnO3, a prototype of hexagonal manganites (h-RMnO3, where R is a rare-earth-metal element), reveal that the d(0)-ness of a Y3+ ion with an anisotropic Y 4d-O 2p hybridization is the main driving force of ferroelectricity. InMnO3 (IMO) also belongs to the h-RMnO3 family. However, the d(0)-ness-driven ferroelectricity cannot be expected because the trivalent In ion is characterized by a fully filled 4d orbital. Here we propose a new bonding mechanism of the hexagonal ferroelectricity in IMO: intra-atomic 4d(z2)-5p(z) orbital mixing of In followed by asymmetric 4d(z2)(In)-2p(z)(O) covalent bonding along the c axis.
URI
https://oasis.postech.ac.kr/handle/2014.oak/12486
DOI
10.1103/PHYSREVLETT.106.047601
ISSN
0031-9007
Article Type
Article
Citation
PHYSICAL REVIEW LETTERS, vol. 106, no. 4, page. 47601-1 - 47601-4, 2011-01-24
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장현명JANG, HYUN MYUNG
Div of Advanced Materials Science
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