Dopant adsorption as a function of bulk concentration at a near 42º (100) twist grain boundary in SrTiO3

Hahn, William [University of California, Davis]; Chen, Minda [Thermo Fisher Scientific]; Feng, Bin [The University of Tokyo, Japan]; Kawahara, Kazuaki [The University of Tokyo, Japan]; Sasano, Shun [The University of Tokyo, Japan]; Thron, Andrew M. [Gatan, Inc.]; Yasin, Fehmi [ORNL] (ORCID:0000000193827565); Shibata, Naoya [The University of Tokyo, Japan]; Ikuhara, Yuichi [The University of Tokyo, Japan]; Van Benthem, Klaus [University of California, Davis]

doi:10.1016/j.jeurceramsoc.2026.118815

DOE OSTI · 3739883

Dopant adsorption as a function of bulk concentration at a near 42º (100) twist grain boundary in SrTiO3

Hahn, William [University of California, Davis]·Chen, Minda [Thermo Fisher Scientific]·Feng, Bin [The University of Tokyo, Japan]·Kawahara, Kazuaki [The University of Tokyo, Japan]·Sasano, Shun [The University of Tokyo, Japan]·Thron, Andrew M. [Gatan, Inc.]·Yasin, Fehmi [ORNL] (ORCID:0000000193827565)·Shibata, Naoya [The University of Tokyo, Japan]·Ikuhara, Yuichi [The University of Tokyo, Japan]·Van Benthem, Klaus [University of California, Davis]

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Abstract

The enrichment of grain boundaries with dopant atoms is of critical importance for the macroscopic physical properties of materials. In thermodynamic equilibrium the Gibbs adsorption isotherm relates grain boundary excess of dopant atoms, their chemical potential in the adjacent bulk, and the respective interface energy. This study has used bicrystals with a near 42º (100) twist grain boundary in SrTiO3 to demonstrate that different kinetic pathways of Fe dopant atom additions converge towards comparable grain boundary configurations. Despite differences in bulk chemical potentials remarkably similar grain boundary excess quantities were observed. The experimental results indicate the general experimental feasibility to establish quantitative relationships between variations of grain boundary energy, interfacial excess, and overall dopant concentration. Improved experimental counting statistics are needed to distinguish solute interface excess as a function of bulk chemical potential.

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Hahn, William [University of California, Davis], Chen, Minda [Thermo Fisher Scientific], Feng, Bin [The University of Tokyo, Japan], Kawahara, Kazuaki [The University of Tokyo, Japan], Sasano, Shun [The University of Tokyo, Japan], Thron, Andrew M. [Gatan, Inc.], Yasin, Fehmi [ORNL] (ORCID:0000000193827565), Shibata, Naoya [The University of Tokyo, Japan], Ikuhara, Yuichi [The University of Tokyo, Japan], Van Benthem, Klaus [University of California, Davis]. 2026-08-01. Dopant adsorption as a function of bulk concentration at a near 42º (100) twist grain boundary in SrTiO3. https://doi.org/10.1016/j.jeurceramsoc.2026.118815

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