Impact of dynamic specimen shape evolution on the atom probe tomography results of doped epitaxial oxide multilayers: Comparison of experiment and simulation

Madaan, Nitesh; Bao, Jie; Nandasiri, Manjula; Xu, Zhijie; Thevuthasan, Suntharampillai; Devaraj, Arun

doi:10.1063/1.4929705

Title: Impact of dynamic specimen shape evolution on the atom probe tomography results of doped epitaxial oxide multilayers: Comparison of experiment and simulation

Journal Article · Mon Aug 31 00:00:00 EDT 2015 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4929705· OSTI ID:1229972

Madaan, Nitesh ^[1]; Bao, Jie ^[1]; Nandasiri, Manjula ^[1]; Xu, Zhijie ^[1]; Thevuthasan, Suntharampillai ^[2]; Devaraj, Arun ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qatar Environment and Energy Research Institute, Doha (Qatar)

The experimental atom probe tomography results from two different specimen orientations (top-down and side-ways) of a high oxygen ion conducting Samaria-doped-ceria/Scandia-stabilized-zirconia multilayer thin film solid oxide fuel cell electrolyte was correlated with level-set method based field evaporation simulations for the same specimen orientations. This experiment-theory correlation explains the dynamic specimen shape evolution and ion trajectory aberrations that can induce density artifacts in final reconstruction leading to inaccurate estimation of interfacial intermixing. In conclusion, this study highlights the need and importance of correlating experimental results with field evaporation simulations when using atom probe tomography for studying oxide heterostructure interfaces.

View Accepted Manuscript (DOE)

Cite

Export

Save

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

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1229972

Report Number(s):: PNNL-SA-109596; 48658; KP1704020

Journal Information:: Applied Physics Letters, Vol. 107, Issue 9; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 7 works

Citation information provided by
Web of Science

References (24)

Evolution of tip shape during field evaporation of complex multilayer structures: EVOLUTION OF TIP SHAPE DURING FIELD EVAPORATION Marquis, E. A.; Geiser, B. P.; Prosa, T. J. Journal of Microscopy, Vol. 241, Issue 3 https://doi.org/10.1111/j.1365-2818.2010.03421.x	journal	February 2011
Dielectric properties enhancement of ZrO[sub 2] thin films induced by substrate biasing Huang, A. P.; Chu, Paul K.; Yan, H. Journal of Vacuum Science & Technology B: Microelectronics and Nanometer Structures, Vol. 23, Issue 2 https://doi.org/10.1116/1.1885011	journal	January 2005
Colossal Ionic Conductivity at Interfaces of Epitaxial ZrO2:Y2O3/SrTiO3 Heterostructures Garcia-Barriocanal, J.; Rivera-Calzada, A.; Varela, M. Science, Vol. 321, Issue 5889 https://doi.org/10.1126/science.1156393	journal	August 2008
A variable order Runge-Kutta method for initial value problems with rapidly varying right-hand sides Cash, J. R.; Karp, Alan H. ACM Transactions on Mathematical Software, Vol. 16, Issue 3 https://doi.org/10.1145/79505.79507	journal	September 1990
Role of Photoexcitation and Field Ionization in the Measurement of Accurate Oxide Stoichiometry by Laser-Assisted Atom Probe Tomography Devaraj, A.; Colby, R.; Hess, W. P. The Journal of Physical Chemistry Letters, Vol. 4, Issue 6 https://doi.org/10.1021/jz400015h	journal	March 2013
Integrated experimental and modeling study of ionic conductivity of scandia-stabilized zirconia thin films Yu, Z. Q.; Devanathan, R.; Jiang, W. Solid State Ionics, Vol. 181, Issue 8-10 https://doi.org/10.1016/j.ssi.2010.01.024	journal	March 2010
In situ site-specific specimen preparation for atom probe tomography Thompson, K.; Lawrence, D.; Larson, D. J. Ultramicroscopy, Vol. 107, Issue 2-3 https://doi.org/10.1016/j.ultramic.2006.06.008	journal	February 2007
The second revolution in atom probe tomography Kelly, Thomas F.; Larson, David J. MRS Bulletin, Vol. 37, Issue 2 https://doi.org/10.1557/mrs.2012.3	journal	February 2012
Fabrication and Electrochemical Properties of Epitaxial Samarium-Doped Ceria Films on SrTiO ₃ -Buffered MgO Substrates Sanna, Simone; Esposito, Vincenzo; Pergolesi, Daniele Advanced Functional Materials, Vol. 19, Issue 11 https://doi.org/10.1002/adfm.200801768	journal	June 2009
A general protocol for the reconstruction of 3D atom probe data Bas, P.; Bostel, A.; Deconihout, B. Applied Surface Science, Vol. 87-88 https://doi.org/10.1016/0169-4332(94)00561-3	journal	March 1995
Growth and characterization of highly oriented gadolinia-doped ceria (111) thin films on zirconia (111)/sapphire (0001) substrates Bera, Debasis; Kuchibhatla, Satyanarayana V. N. T.; Azad, S. Thin Solid Films, Vol. 516, Issue 18 https://doi.org/10.1016/j.tsf.2007.11.007	journal	July 2008
On the Field Evaporation Behavior of Dielectric Materials in Three-Dimensional Atom Probe: A Numeric Simulation Oberdorfer, Christian; Schmitz, Guido Microscopy and Microanalysis, Vol. 17, Issue 1 https://doi.org/10.1017/S1431927610093888	journal	October 2010
Electrolytes for solid oxide fuel cells Fergus, Jeffrey W. Journal of Power Sources, Vol. 162, Issue 1 https://doi.org/10.1016/j.jpowsour.2006.06.062	journal	November 2006
Nanoscale effects on ion conductance of layer-by-layer structures of gadolinia-doped ceria and zirconia Azad, S.; Marina, O. A.; Wang, C. M. Applied Physics Letters, Vol. 86, Issue 13 https://doi.org/10.1063/1.1894615	journal	March 2005
Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic-Resolution Electron Microscopy and Field Evaporation Simulation Devaraj, Arun; Colby, Robert; Vurpillot, François The Journal of Physical Chemistry Letters, Vol. 5, Issue 8 https://doi.org/10.1021/jz500259c	journal	March 2014
Enhancement of Ionic Conductivity in Sm-Doped Ceria/Yttria-Stabilized Zirconia Heteroepitaxial Structures Sanna, Simone; Esposito, Vincenzo; Tebano, Antonello Small, Vol. 6, Issue 17 https://doi.org/10.1002/smll.200902348	journal	August 2010
Improvement of multilayer analyses with a three-dimensional atom probe Vurpillot, Francois; Larson, David; Cerezo, Alfred Surface and Interface Analysis, Vol. 36, Issue 56 https://doi.org/10.1002/sia.1697	journal	May 2004
Nanoscale Thin Film Electrolytes for Clean Energy Applications Nandasiri, M. I.; Sanghavi, R.; Kuchibhatla, S. Nanoscience and Nanotechnology Letters, Vol. 4, Issue 2 https://doi.org/10.1166/nnl.2012.1298	journal	February 2012
Simulation of heterogeneous atom probe tip shapes evolution during field evaporation using a level set method and different evaporation models Xu, Zhijie; Li, Dongsheng; Xu, Wei Computer Physics Communications, Vol. 189 https://doi.org/10.1016/j.cpc.2014.12.016	journal	April 2015
Epitaxial growth of CeO ₂ layers on silicon Inoue, T.; Yamamoto, Y.; Koyama, S. Applied Physics Letters, Vol. 56, Issue 14 https://doi.org/10.1063/1.103202	journal	April 1990
Ionic conductivity in oxide heterostructures: the role of interfaces Fabbri, Emiliana; Pergolesi, Daniele; Traversa, Enrico Science and Technology of Advanced Materials, Vol. 11, Issue 5 https://doi.org/10.1088/1468-6996/11/5/054503	journal	October 2010
Microstructure and ionic conductivity of alternating-multilayer structured Gd-doped ceria and zirconia thin films Wang, Yiguang; An, Linan; Saraf, L. V. Journal of Materials Science, Vol. 44, Issue 8 https://doi.org/10.1007/s10853-009-3269-2	journal	April 2009
Effect of analysis direction on the measurement of interfacial mixing in thin metal layers with atom probe tomography Larson, D. J.; Prosa, T. J.; Geiser, B. P. Ultramicroscopy, Vol. 111, Issue 6 https://doi.org/10.1016/j.ultramic.2010.12.010	journal	May 2011
Phase field and level set methods for modeling solute precipitation and/or dissolution Xu, Zhijie; Huang, Hai; Li, Xiaoyi Computer Physics Communications, Vol. 183, Issue 1 https://doi.org/10.1016/j.cpc.2011.08.005	journal	January 2012

Cited By (2)

Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37586	journal	November 2016
Three-dimensional nanoscale characterisation of materials by atom probe tomography Devaraj, Arun; Perea, Daniel E.; Liu, Jia International Materials Reviews, Vol. 63, Issue 2 https://doi.org/10.1080/09506608.2016.1270728	journal	November 2016

Similar Records

Impact of Dynamic Specimen Shape Evolution on the Atom Probe Tomography Results of Doped Epitaxial Oxide Multilayers: Comparison of Experiment and Simulation

Journal Article · Mon Aug 31 00:00:00 EDT 2015 · Applied Physics Letters · OSTI ID:1229972

Madaan, Nitesh; Bao, Jie; Nandasiri, Manjula I.; +3 more

Impact of dynamic specimen shape evolution on the atom probe tomography results of doped epitaxial oxide multilayers: Comparison of experiment and simulation

Journal Article · Mon Aug 31 00:00:00 EDT 2015 · Applied Physics Letters · OSTI ID:1229972

Madaan, Nitesh; Nandasiri, Manjula; Devaraj, Arun; +3 more

Understanding Atom Probe Tomography of Oxide-Supported Metal Nanoparticles by Correlation with Atomic Resolution Electron Microscopy and Field Evaporation Simulation

Journal Article · Wed Mar 26 00:00:00 EDT 2014 · Journal of Physical Chemistry Letters, 5(8):1361-1367 · OSTI ID:1229972

Devaraj, Arun; Colby, Robert J.; Vurpillot, F.; +1 more

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
Environmental Molecular Sciences Laboratory

Title: Impact of dynamic specimen shape evolution on the atom probe tomography results of doped epitaxial oxide multilayers: Comparison of experiment and simulation

Citation Formats

References (24)

Cited By (2)

Similar Records

Related Subjects