Journal Article

FZJ-2021-04860

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Epitaxial stannate pyrochlore thin films: Limitations of cation stoichiometry and electron doping

Hensling, F. V. E. (Corresponding author)Extern* ; Dahliah, D. ; Dulal, P. ; Singleton, P. ; Sun, J. ; Schubert, J.FZJ* ; Paik, H.Extern* ; Subedi, I.Extern* ; Subedi, B.Extern* ; Rignanese, G.-M.Extern* ; Podraza, N. J. ; Hautier, G.Extern* ; Schlom, D. G.Extern*

2021
AIP Publ. Melville, NY

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Please use a persistent id in citations: http://hdl.handle.net/2128/29396  doi:10.1063/5.0049334

Abstract: We have studied the growth of epitaxial films of stannate pyrochlores with a general formula A 2 Sn 2 O 7 (A = La and Y) and find that itis possible to incorporate ∼ 25% excess of the A-site constituent; in contrast, any tin excess is expelled. We unravel the defect chemistry,allowing for the incorporation of excess A-site species and the mechanism behind the tin expulsion. An A-site surplus is manifested by ashift in the film diffraction peaks, and the expulsion of tin is apparent from the surface morphology of the film. In an attempt to increaseLa 2 Sn 2 O 7 conductivity through n-type doping, substantial quantities of tin have been substituted by antimony while maintaining good filmquality. The sample remained insulating as explained by first-principles computations, showing that both the oxygen vacancy and antimony-on-tin substitutional defects are deep. Similar conclusions are drawn on Y 2 Sn 2 O 7 . An alternative n-type dopant, fluorine on oxygen, is shallowaccording to computations and more likely to lead to electrical conductivity. The bandgaps of stoichiometric La 2 Sn 2 O 7 and Y 2 Sn 2 O 7 filmswere determined by spectroscopic ellipsometry to be 4.2 eV and 4.48 eV, respectively.

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Contributing Institute(s):

1. Halbleiter-Nanoelektronik (PGI-9)

Research Program(s):

1. 5233 - Memristive Materials and Devices (POF4-523) (POF4-523)

Appears in the scientific report 2021

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