Where is the unpaired transition metal in substoichiometric diboride line compounds?

Palisaitis, Justinas (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Dahlqvist, Martin (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Thörnberg, Jimmy (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Persson, Ingemar (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Nedfors, Nils (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Hultman, Lars (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Greene, Joseph E (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten,Univ Illinois, IL 61801 USA; Natl Taiwan Univ Sci & Technol, Taiwan

Petrov, Ivan (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten,Univ Illinois, IL 61801 USA; Natl Taiwan Univ Sci & Technol, Taiwan

Rosén, Johanna (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

Persson, Per O A (author): Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten

(creator_code:org_t)

PERGAMON-ELSEVIER SCIENCE LTD, 2021
2021
English.
In: Acta Materialia. - : PERGAMON-ELSEVIER SCIENCE LTD. - 1359-6454 .- 1873-2453. ; 204

Related links:: https://liu.diva-por... (primary) (Raw object); show more...; https://doi.org/10.1...; https://urn.kb.se/re...; https://doi.org/10.1...; show less...

Abstract Subject headings

The atomic structure and local composition of high quality epitaxial substoichiometric titanium diboride (TiB1.9) thin film, deposited by unbalanced magnetron sputtering, were studied using analytical high-resolution scanning transmission electron microscopy, density functional theory, and image simulations. The unpaired Ti is pinpointed to inclusion of Ti-based stacking faults within a few atomic layers, which terminates the {1 (1) over bar 00} prismatic planes of the crystal structure and attributed to the absence of B between Ti planes that locally relaxes the structure. This mechanism allows the line compound to accommodate off-stoichiometry and remain a line compound between defects. The planar defects are embedded in otherwise stoichiometric TiB2 and are delineated by insertion of dislocations. An accompanied decrease in Ti-Ti bond lengths along and across the faults is observed. (c) 2020ActaMaterialiaInc. PublishedbyElsevierLtd. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)

By the author/editor: Palisaitis, Just ...; Dahlqvist, Marti ...; Hall, Allen J.; Thörnberg, Jimmy; Persson, Ingemar; Nedfors, Nils; show more...; Hultman, Lars; Greene, Joseph E; Petrov, Ivan; Rosén, Johanna; Persson, Per O A; show less...

About the subject

NATURAL SCIENCES: NATURAL SCIENCES; and Chemical Science ...; and Inorganic Chemis ...

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