Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7

Aidhy, Dilpuneet S.; Sachan, Ritesh; Zarkadoula, Eva; Pakarinen, Olli; Chisholm, Matthew F.; Zhang, Yanwen; Weber, William J.

doi:10.1038/srep16297

Title: Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd₂Ti₂O₇

Journal Article · Tue Nov 10 00:00:00 EST 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep16297· OSTI ID:1259713

Aidhy, Dilpuneet S. ^[1]; Sachan, Ritesh ^[2]; Zarkadoula, Eva ^[2]; Pakarinen, Olli ^[2]; Chisholm, Matthew F. ^[2]; Zhang, Yanwen ^[3]; Weber, William J. ^[3]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Wyoming, Laramie, WY (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

In this research, the structure and ion-conducting properties of the defect-fluorite ring structure formed around amorphous ion-tracks by swift heavy ion irradiation of Gd₂Ti₂O₇ pyrochlore are investigated. High angle annular dark field imaging complemented with ion-track molecular dynamics simulations show that the atoms in the ring structure are disordered, and have relatively larger cation-cation interspacing than in the bulk pyrochlore, illustrating the presence of tensile strain in the ring region. Density functional theory calculations show that the non-equilibrium defect-fluorite structure can be stabilized by tensile strain. The pyrochlore to defect-fluorite structure transformation in the ring region is predicted to be induced by recrystallization during a melt-quench process and stabilized by tensile strain. Static pair-potential calculations show that planar tensile strain lowers oxygen vacancy migration barriers in pyrochlores, in agreement with recent studies on fluorite and perovskite materials. From these results, it is suggested that strain engineering could be simultaneously used to stabilize the defect-fluorite structure and gain control over its high ion-conducting properties.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Sciences (CNMS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725

OSTI ID:: 1259713

Alternate ID(s):: OSTI ID: 1286870

Journal Information:: Scientific Reports, Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 28 works

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Title: Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd2Ti2O7

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Title: Fast ion conductivity in strained defect-fluorite structure created by ion tracks in Gd₂Ti₂O₇