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Identification of inversion domains in KTiOPO4 via resonant X-ray diffraction.

Fabrizi F, Thomas PA, Nisbet G, Collins SP - Acta Crystallogr A Found Adv (2015)

Bottom Line: A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO4.This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam.This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics).

View Article: PubMed Central - HTML - PubMed

Affiliation: Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, England.

ABSTRACT
A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO4. Resonant (or 'anomalous') X-ray diffraction spectra collected across the absorption K edge of Ti (4.966 keV) on a single Bragg reflection demonstrate a huge intensity ratio above and below the edge, providing a polar domain contrast of ∼270. This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam. This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics).

No MeSH data available.


Related in: MedlinePlus

Dashed lines: energy dependence of the diffraction intensity on the reflection (417) across the Ti K edge collected on the two opposite surfaces of the sample, configuration ‘up’ (red) and ‘down’ (blue). Solid lines: energy dependence calculated from simulations of a monodomain crystal of domain ‘A’ (blue) and ‘B’ (red), in which domains A and B are related by inversion. Inset: the measured fluorescence spectrum. The statistical errors for all intensity measurements are smaller than the line symbols.
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fig1: Dashed lines: energy dependence of the diffraction intensity on the reflection (417) across the Ti K edge collected on the two opposite surfaces of the sample, configuration ‘up’ (red) and ‘down’ (blue). Solid lines: energy dependence calculated from simulations of a monodomain crystal of domain ‘A’ (blue) and ‘B’ (red), in which domains A and B are related by inversion. Inset: the measured fluorescence spectrum. The statistical errors for all intensity measurements are smaller than the line symbols.

Mentions: The incident-beam energy was tuned to the Ti K edge, as shown in the fluorescence scan across the absorption edge in the inset of Fig. 1 ▸.


Identification of inversion domains in KTiOPO4 via resonant X-ray diffraction.

Fabrizi F, Thomas PA, Nisbet G, Collins SP - Acta Crystallogr A Found Adv (2015)

Dashed lines: energy dependence of the diffraction intensity on the reflection (417) across the Ti K edge collected on the two opposite surfaces of the sample, configuration ‘up’ (red) and ‘down’ (blue). Solid lines: energy dependence calculated from simulations of a monodomain crystal of domain ‘A’ (blue) and ‘B’ (red), in which domains A and B are related by inversion. Inset: the measured fluorescence spectrum. The statistical errors for all intensity measurements are smaller than the line symbols.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC4487424&req=5

fig1: Dashed lines: energy dependence of the diffraction intensity on the reflection (417) across the Ti K edge collected on the two opposite surfaces of the sample, configuration ‘up’ (red) and ‘down’ (blue). Solid lines: energy dependence calculated from simulations of a monodomain crystal of domain ‘A’ (blue) and ‘B’ (red), in which domains A and B are related by inversion. Inset: the measured fluorescence spectrum. The statistical errors for all intensity measurements are smaller than the line symbols.
Mentions: The incident-beam energy was tuned to the Ti K edge, as shown in the fluorescence scan across the absorption edge in the inset of Fig. 1 ▸.

Bottom Line: A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO4.This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam.This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics).

View Article: PubMed Central - HTML - PubMed

Affiliation: Diamond Light Source, Harwell Science and Innovation Campus, Didcot, OX11 0DE, England.

ABSTRACT
A novel method is presented for the identification of the absolute crystallographic structure in multi-domain polar materials such as ferroelectric KTiOPO4. Resonant (or 'anomalous') X-ray diffraction spectra collected across the absorption K edge of Ti (4.966 keV) on a single Bragg reflection demonstrate a huge intensity ratio above and below the edge, providing a polar domain contrast of ∼270. This allows one to map the spatial domain distribution in a periodically inverted sample, with a resolution of ∼1 µm achieved with a microfocused beam. This non-contact, non-destructive technique is well suited for samples of large dimensions (in contrast with traditional resonant X-ray methods based on diffraction from Friedel pairs), and its potential is particularly relevant in the context of physical phenomena connected with an absence of inversion symmetry, which require characterization of the underlying absolute atomic structure (such as in the case of magnetoelectric coupling and multiferroics).

No MeSH data available.


Related in: MedlinePlus