Delicate balance between ferroelectricity and antiferroelectricity in hexagonal InMnO<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>

Huang, Fei; Wang, Xueyun; Oh, Yoon Seok; Kurushima, Kosuke; Mori, Shigeo; Horibe, Y.; Cheong, Sang‐Wook

doi:10.1103/physrevb.87.184109

Cited by 32 publications

(25 citation statements)

References 18 publications

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“…1(d). This is apparent from experimental results and symmetry constraints [18,25,35], where all DWs within the material away from the vortices have ∆Φ = 60 • .…”

Section: A Domain Wall Energeticsmentioning

confidence: 96%

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Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Småbråten

Meier

Skjærvø

et al. 2018

Phys. Rev. Materials

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Ferroelectric domain walls are attracting broad attention as atomic-scale switches, diodes and mobile wires for next-generation nanoelectronics. Charged domain walls in improper ferroelectrics are particularly interesting as they offer multifunctional properties and an inherent stability not found in proper ferroelectrics. Here we study the energetics and structure of charged walls in improper ferroelectric YMnO3, InMnO3 and YGaO3 by first principles calculations and phenomenological modeling. Positively and negatively charged walls are asymmetric in terms of local structure and width, reflecting that polarization is not the driving force for domain formation. The wall width scales with the amplitude of the primary structural order parameter and the coupling strength to the polarization. We introduce general rules for how to engineer n-and p-type domain wall conductivity based on the domain size, polarization and electronic band gap. This opens the possibility of fine-tuning the local transport properties and design p-n-junctions for domain wall-based nano-circuitry.

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“…1(d). This is apparent from experimental results and symmetry constraints [18,25,35], where all DWs within the material away from the vortices have ∆Φ = 60 • .…”

Section: A Domain Wall Energeticsmentioning

confidence: 96%

“…YMnO 3 is the protoypical h-RMnO 3 , while InMnO 3 has a similar band gap, but a smaller polarization [21,24,25]. Oppositely, YGaO 3 has a similar polarization to YMnO 3 , but a larger band gap [26,27].…”

Section: Introductionmentioning

confidence: 99%

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Småbråten

Meier

Skjærvø

et al. 2018

Phys. Rev. Materials

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show abstract

“…23 Using transmission electron microscopy (TEM) and high-angle annular dark-field scanning (HAADF) TEM, ferroelectricity was found in slowly cooled samples, whereas fast cooling in a furnace was shown to favor the centrosymmetric phase. A follow-up study combining first-principles calculations with HAADF-TEM 15 demonstrated that all three possible phases discussed in the symmetry analysis above could be obtained simultaneously in a single sample, and showed that their coexistence is due to extremely shallow energy barriers separating the states.…”

Section: Introductionmentioning

confidence: 99%

“…14 Their comprehensive study combining piezoresponse force microscopy (PFM) and second harmonic generation (SHG) also failed to find evidence of polarization; accompanying first-principles calculations based on density functional theory found a very small energy difference between the centrosymmetric P3c and ferroelectric P 6 3 cm structures. 14 Recently, Bekheet et al 21 prepared single crystals of InMnO 3 with PbF 2 flux to avoid the Bi impurities reported for single crystals grown in a Bi 2 O 3 flux, 22,23 and concluded that the ambient structure is P 6 3 cm based on single crystal x-ray diffraction, SHG and PFM.…”

Section: Introductionmentioning

confidence: 99%

Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO₃

et al. 2017

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The effect of defect chemistry on the polar and non-polar phases of hexagonal InMnO 3 is investigated using first principles density functional calculations. Our motivation is to show how point defects and substitutional atoms can modify the delicate balance between ferroelectric and non-ferroelectric phases in a complex multiferroic oxide. By analyzing the distinct In corrugation patterns of the competing phases, we find that oxygen interstitials and indium-oxygen vacancy pairs favor the polar P 6 3 cm phase, which is also the ground state of stoichiometric InMnO 3 . The polar P 3c1 phase is stabilized by oxygen vacancies, while In vacancies and Ga substitution on the Mn site 1 destabilize the ferroelectric phases and favor instead the non-polar P3c or P 6 3 /mmc structures. In addition to the structure, the electrical properties are also strongly dependent on the defect chemistry, ranging from metallic to large band-gap insulating.The implications of the strong influence of vacancies, interstitials and substitutions on the ferroelectric and electronic properties are discussed with respect to synthesis and applications.

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“…2i). Odd values of n correspond to partially undistorted antipolar (PUA) states with non-polar P3c1 symmetry, whereas an intermediate tilting angle of the MnO5 bipyramid (non-integer n) results in polar P3c1 symmetry 52,83,111 . In the ferroelectric Mexican-hat-like potential landscape discussed earlier (FIG.…”

Section: Unfolding Of Z6 Vortex Coresmentioning

confidence: 99%

Aperiodic topological order in the domain configurations of functional materials

Huang¹,

Cheong²

2017

Nat Rev Mater

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Delicate balance between ferroelectricity and antiferroelectricity in hexagonal InMnO3

Cited by 32 publications

References 18 publications

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO₃

Aperiodic topological order in the domain configurations of functional materials

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Delicate balance between ferroelectricity and antiferroelectricity in hexagonal InMnO3

Cited by 32 publications

References 18 publications

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Charged domain walls in improper ferroelectric hexagonal manganites and gallates

Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO3

Aperiodic topological order in the domain configurations of functional materials

Contact Info

Product

Resources

About

Defect Chemistry as a Crystal Structure Design Parameter: Intrinsic Point Defects and Ga Substitution in InMnO₃