Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH2PO4ferroelectric

C. M. Fancher; C. M. Hoffmann; X. P. Wang; L. L. Daemen; A. J. Schultz

doi:10.1063/5.0035866

Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH₂PO₄ferroelectric

C. M. Fancher, C. M. Hoffmann, X. P. Wang, L. L. Daemen, A. J. Schultz

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

The mechanism that facilitates polarization reorientation in KH2PO4 (KDP) was investigated using operando single-crystal neutron diffraction. Diffraction data were measured from a KDP single crystal during the application of alternating electric fields and were then binned into 40 increments to enable field-dependent single-crystal structure refinements. The field-dependent structures are compared with an as-grown crystal to determine how the lattice and atomic sites evolve in response to the applied electric fields. These analyses provide evidence that the reorientation of the macroscopic polarization is facilitated through a cooperative change in hydrogen bonding, which results in the reversal of the spontaneous dipole. In addition, a decrease in secondary extinction near the coercive field indicates that the inversion of the macroscopic polarization is achieved through the nucleation and subsequent growth of new domains.

Original language	English
Article number	021111
Journal	APL Materials
Volume	9
Issue number	2
DOIs	https://doi.org/10.1063/5.0035866
State	Published - Feb 1 2021

Funding

This research used resources at the Spallation Neutron Source, a DOE Office of Science User Facility operated by the Oak Ridge National Laboratory. This article has been authored by UT-Battelle, LLC, under Contract No. DE-AC05-00OR22725, with the U.S. Department of Energy. The research was co-sponsored by the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Advanced Manufacturing Office. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, world-wide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan (<http://energy.gov/downloads/doe-public-access-plan>).

Funders	Funder number
U.S. Department of Energy
Advanced Manufacturing Office
Office of Energy Efficiency and Renewable Energy

Access to Document

10.1063/5.0035866

Cite this

@article{7dca52906461456880f977bd534684e4,

title = "Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH2PO4ferroelectric",

abstract = "The mechanism that facilitates polarization reorientation in KH2PO4 (KDP) was investigated using operando single-crystal neutron diffraction. Diffraction data were measured from a KDP single crystal during the application of alternating electric fields and were then binned into 40 increments to enable field-dependent single-crystal structure refinements. The field-dependent structures are compared with an as-grown crystal to determine how the lattice and atomic sites evolve in response to the applied electric fields. These analyses provide evidence that the reorientation of the macroscopic polarization is facilitated through a cooperative change in hydrogen bonding, which results in the reversal of the spontaneous dipole. In addition, a decrease in secondary extinction near the coercive field indicates that the inversion of the macroscopic polarization is achieved through the nucleation and subsequent growth of new domains.",

author = "Fancher, {C. M.} and Hoffmann, {C. M.} and Wang, {X. P.} and Daemen, {L. L.} and Schultz, {A. J.}",

note = "Publisher Copyright: {\textcopyright} 2021 Author(s).",

year = "2021",

month = feb,

day = "1",

doi = "10.1063/5.0035866",

language = "English",

volume = "9",

journal = "APL Materials",

issn = "2166-532X",

publisher = "American Institute of Physics",

number = "2",

}

TY - JOUR

T1 - Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH2PO4ferroelectric

AU - Fancher, C. M.

AU - Hoffmann, C. M.

AU - Wang, X. P.

AU - Daemen, L. L.

AU - Schultz, A. J.

PY - 2021/2/1

Y1 - 2021/2/1

N2 - The mechanism that facilitates polarization reorientation in KH2PO4 (KDP) was investigated using operando single-crystal neutron diffraction. Diffraction data were measured from a KDP single crystal during the application of alternating electric fields and were then binned into 40 increments to enable field-dependent single-crystal structure refinements. The field-dependent structures are compared with an as-grown crystal to determine how the lattice and atomic sites evolve in response to the applied electric fields. These analyses provide evidence that the reorientation of the macroscopic polarization is facilitated through a cooperative change in hydrogen bonding, which results in the reversal of the spontaneous dipole. In addition, a decrease in secondary extinction near the coercive field indicates that the inversion of the macroscopic polarization is achieved through the nucleation and subsequent growth of new domains.

AB - The mechanism that facilitates polarization reorientation in KH2PO4 (KDP) was investigated using operando single-crystal neutron diffraction. Diffraction data were measured from a KDP single crystal during the application of alternating electric fields and were then binned into 40 increments to enable field-dependent single-crystal structure refinements. The field-dependent structures are compared with an as-grown crystal to determine how the lattice and atomic sites evolve in response to the applied electric fields. These analyses provide evidence that the reorientation of the macroscopic polarization is facilitated through a cooperative change in hydrogen bonding, which results in the reversal of the spontaneous dipole. In addition, a decrease in secondary extinction near the coercive field indicates that the inversion of the macroscopic polarization is achieved through the nucleation and subsequent growth of new domains.

UR - http://www.scopus.com/inward/record.url?scp=85100783525&partnerID=8YFLogxK

U2 - 10.1063/5.0035866

DO - 10.1063/5.0035866

M3 - Article

AN - SCOPUS:85100783525

SN - 2166-532X

VL - 9

JO - APL Materials

JF - APL Materials

IS - 2

M1 - 021111

ER -

Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH₂PO₄ferroelectric

Abstract

Funding

Access to Document

Other files and links

Fingerprint

Cite this