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000903136 1001_ $$0P:(DE-Juel1)165926$$aHensling, Felix V. E.$$b0$$eCorresponding author
000903136 245__ $$aEpitaxial stannate pyrochlore thin films: Limitations of cation stoichiometry and electron doping
000903136 260__ $$aMelville, NY$$bAIP Publ.$$c2021
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000903136 520__ $$aWe have studied the growth of epitaxial films of stannate pyrochlores with a general formula A 2 Sn 2 O 7 (A = La and Y) and find that itis possible to incorporate ∼ 25% excess of the A-site constituent; in contrast, any tin excess is expelled. We unravel the defect chemistry,allowing for the incorporation of excess A-site species and the mechanism behind the tin expulsion. An A-site surplus is manifested by ashift in the film diffraction peaks, and the expulsion of tin is apparent from the surface morphology of the film. In an attempt to increaseLa 2 Sn 2 O 7 conductivity through n-type doping, substantial quantities of tin have been substituted by antimony while maintaining good filmquality. The sample remained insulating as explained by first-principles computations, showing that both the oxygen vacancy and antimony-on-tin substitutional defects are deep. Similar conclusions are drawn on Y 2 Sn 2 O 7 . An alternative n-type dopant, fluorine on oxygen, is shallowaccording to computations and more likely to lead to electrical conductivity. The bandgaps of stoichiometric La 2 Sn 2 O 7 and Y 2 Sn 2 O 7 filmswere determined by spectroscopic ellipsometry to be 4.2 eV and 4.48 eV, respectively.
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000903136 7001_ $$0P:(DE-HGF)0$$aDahliah, Diana$$b1
000903136 7001_ $$0P:(DE-HGF)0$$aDulal, Prabin$$b2
000903136 7001_ $$0P:(DE-HGF)0$$aSingleton, Patrick$$b3
000903136 7001_ $$0P:(DE-HGF)0$$aSun, Jiaxin$$b4
000903136 7001_ $$0P:(DE-Juel1)128631$$aSchubert, Jürgen$$b5
000903136 7001_ $$00000-0002-8363-4679$$aPaik, Hanjong$$b6
000903136 7001_ $$00000-0003-2300-6010$$aSubedi, Indra$$b7
000903136 7001_ $$00000-0002-7690-0406$$aSubedi, Biwas$$b8
000903136 7001_ $$00000-0002-1422-1205$$aRignanese, Gian-Marco$$b9
000903136 7001_ $$0P:(DE-HGF)0$$aPodraza, Nikolas J.$$b10
000903136 7001_ $$00000-0003-1754-2220$$aHautier, Geoffroy$$b11
000903136 7001_ $$00000-0003-2493-6113$$aSchlom, Darrell G.$$b12
000903136 773__ $$0PERI:(DE-600)2722985-3$$a10.1063/5.0049334$$gVol. 9, no. 5, p. 051113 -$$n5$$p051113 -$$tAPL materials$$v9$$x2166-532X$$y2021
000903136 8564_ $$uhttps://juser.fz-juelich.de/record/903136/files/Felix%20Hensling%20Stannate.pdf$$yOpenAccess
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