Damage evolution of ion irradiated defected-fluorite La 2 Zr 2 O 7 epitaxial thin films

Kaspar, Tiffany C.; Gigax, Jonathan G.; Shao, Lin; Bowden, Mark E.; Varga, Tamas; Shutthanandan, Vaithiyalingam; Spurgeon, Steven R.; Yan, Pengfei; Wang, Chongmin; Ramuhalli, Pradeep; Henager, Charles H.

doi:10.1016/j.actamat.2017.01.012

Title: Damage evolution of ion irradiated defected-fluorite La 2 Zr 2 O 7 epitaxial thin films

Journal Article · Mon May 01 00:00:00 EDT 2017 · Acta Materialia

DOI:https://doi.org/10.1016/j.actamat.2017.01.012· OSTI ID:1342222

Kaspar, Tiffany C.; Gigax, Jonathan G.; Shao, Lin; Bowden, Mark E.; Varga, Tamas; Shutthanandan, Vaithiyalingam; Spurgeon, Steven R.; Yan, Pengfei; Wang, Chongmin; Ramuhalli, Pradeep; Henager, Charles H.

Pyrochlore-structure oxides, A₂B₂O₇, may exhibit remarkable radiation tolerance due to the ease with which they can accommodate disorder by transitioning to a defected fluorite structure. In this paper, the mechanism of defect formation was explored by evaluating the radiation damage behavior of high quality epitaxial La₂Zr₂O₇ thin films with the defected fluorite structure, irradiated with 1 MeV Zr⁺ at doses up to 10 displacements per atom (dpa). The level of film damage was evaluated as a function of dose by Rutherford backscattering spectrometry in the channeling geometry (RBS/c) and scanning transmission electron microscopy (STEM). At lower doses, the surface of the La₂Zr₂O₇ film amorphized, and the amorphous fraction as a function of dose fit well to a stimulated amorphization model. As the dose increased, the surface amorphization slowed, and amorphization appeared at the interface. Even at a dose of 10 dpa, the core of the film remained crystalline, despite the prediction of amorphization from the model. To inform future ab initio simulations of La₂Zr₂O₇, the bandgap of a thick La₂Zr₂O₇ film was measured to be indirect at 4.96 eV, with a direct transition at 5.60 eV.

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Research Organization:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1342222

Alternate ID(s):: OSTI ID: 1550599

Report Number(s):: PNNL-SA-121946; PII: S1359645417300228; TRN: US1700529

Journal Information:: Acta Materialia, Vol. 130, Issue C; ISSN 1359-6454

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 14 works

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Composition‐dependent intrinsic defect structures in pyroclore RE ₂ B ₂ O ₇ ( RE = La, Nd, Gd; B = Sn, Hf, Zr) Yang, Lan; Wang, Peiying; Zhang, Chengguan Journal of the American Ceramic Society, Vol. 103, Issue 1 https://doi.org/10.1111/jace.16705	journal	August 2019
Modulating the thermal conductivity of La ₂ Zr ₂ O ₇ by Thorium (Th) doping: an ab initio study Khan, Matiullah; Gul, S. R.; Zeng, Yi Materials Research Express, Vol. 6, Issue 11 https://doi.org/10.1088/2053-1591/ab50c8	journal	September 2019
Theoretical investigations of electronic and thermodynamic properties of Ce doped La ₂ Zr ₂ O ₇ pyrochlore Gul, Sahar Ramin; Khan, Matiullah; Zeng, Yi Materials Research Express, Vol. 6, Issue 8 https://doi.org/10.1088/2053-1591/ab242d	journal	May 2019

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