Doping a dipole into an incipient ferroelectric: Route to relaxor ferroelectrics

Doping a dipole into an incipient ferroelectric: Route to relaxor ferroelectrics TiO2 in the rutile phase is known to be an incipient ferroelectric. Considering Nb-Cr codoping we examine if ferroelectricity can be induced at the low doping limit in Ti(1-x)(Nb0.5Cr0.5)xO2 (x=0.05%, 1%, 5%, and 10%). A relaxor behavior is found in the temperature range 20–120 K which obeys the Vogel-Fulcher relation while pyrocurrent measurements confirm switching of the electric polarization. The spontaneous net polarization is doping dependent with a maximum at 1% and for doping concentrations above 5% is found to be paraelectric. Ab initio density functional theory based calculations suggest that the Nb-Cr pair behaves like a dipole and polarizes the neighboring TiO6 octahedra, stabilizing a ferroelectric ground state akin to magnetic impurities in dilute magnetic semiconductors. At larger doping concentrations one finds that Nb-Cr clusters result in a vanishing polarization. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Physical Review B American Physical Society (APS)

Doping a dipole into an incipient ferroelectric: Route to relaxor ferroelectrics

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Doping a dipole into an incipient ferroelectric: Route to relaxor ferroelectrics

Abstract

TiO2 in the rutile phase is known to be an incipient ferroelectric. Considering Nb-Cr codoping we examine if ferroelectricity can be induced at the low doping limit in Ti(1-x)(Nb0.5Cr0.5)xO2 (x=0.05%, 1%, 5%, and 10%). A relaxor behavior is found in the temperature range 20–120 K which obeys the Vogel-Fulcher relation while pyrocurrent measurements confirm switching of the electric polarization. The spontaneous net polarization is doping dependent with a maximum at 1% and for doping concentrations above 5% is found to be paraelectric. Ab initio density functional theory based calculations suggest that the Nb-Cr pair behaves like a dipole and polarizes the neighboring TiO6 octahedra, stabilizing a ferroelectric ground state akin to magnetic impurities in dilute magnetic semiconductors. At larger doping concentrations one finds that Nb-Cr clusters result in a vanishing polarization.
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Publisher
The American Physical Society
Copyright
Copyright © ©2017 American Physical Society
ISSN
1098-0121
eISSN
1550-235X
D.O.I.
10.1103/PhysRevB.96.024107
Publisher site
See Article on Publisher Site

Abstract

TiO2 in the rutile phase is known to be an incipient ferroelectric. Considering Nb-Cr codoping we examine if ferroelectricity can be induced at the low doping limit in Ti(1-x)(Nb0.5Cr0.5)xO2 (x=0.05%, 1%, 5%, and 10%). A relaxor behavior is found in the temperature range 20–120 K which obeys the Vogel-Fulcher relation while pyrocurrent measurements confirm switching of the electric polarization. The spontaneous net polarization is doping dependent with a maximum at 1% and for doping concentrations above 5% is found to be paraelectric. Ab initio density functional theory based calculations suggest that the Nb-Cr pair behaves like a dipole and polarizes the neighboring TiO6 octahedra, stabilizing a ferroelectric ground state akin to magnetic impurities in dilute magnetic semiconductors. At larger doping concentrations one finds that Nb-Cr clusters result in a vanishing polarization.

Journal

Physical Review BAmerican Physical Society (APS)

Published: Jul 26, 2017

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