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- W2077188858 abstract "HoMnO${}_{3}$ (HMO) is one of the most extensively studied hexagonal manganites owing to its strong tendency of the magnetoelectric coupling. In spite of extensive studies on its multiferroic properties, however, little progress has been made in our understanding on the electronic origin of the hexagonal ferroelectricity in HMO. Considering this, we have examined the bonding mechanism that gives rise to an off-centering ferroelectric distortion along the $c$ axis of the hexagonal $P$6${}_{3}$$cm$ unit cell by exploiting density-functional theory calculations. We have shown that the asymmetric 5$d$${}_{{z}^{2}}$(Ho)-2$p$${}_{z}$(O${}_{A}$) hybridization is primarily responsible for the manifestation of this structural ferroelectricity in HMO." @default.
- W2077188858 created "2016-06-24" @default.
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- W2077188858 date "2011-10-27" @default.
- W2077188858 modified "2023-09-27" @default.
- W2077188858 title "Asymmetric Ho 5<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>d</mml:mi></mml:math>-O 2<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mi>p</mml:mi></mml:math>hybridization as the origin of hexagonal ferroelectricity in multiferroic HoMnO<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mrow /><mml:mn>3</mml:mn></mml:msub></mml:math>" @default.
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- W2077188858 doi "https://doi.org/10.1103/physrevb.84.153106" @default.
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