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Where Is the Unmatched Transition Metal in Substoichiometric Diboride Line Compounds?

preprint
submitted on 30.06.2020 and posted on 03.07.2020 by Justinas Palisaitis, Martin Dahlqvist, Allen J. Hall, Jimmy Thörnberg, Ingemar Persson, Nils Nedfors, Lars Hultman, Joseph E Greene, Ivan Petrov, Johanna Rosen, Per Persson
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 unmatched Ti is pinpointed to planar defects on {1-100} prismatic
planes and attributed to the absence of B between Ti planes that locally relaxes the structure.
This mechanism allows the line compound to accommodate the 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.
Introduction

History

Email Address of Submitting Author

justinas.palisaitis@liu.se

Institution

Linköping University

Country

Sweden

ORCID For Submitting Author

0000-0003-3203-7935

Declaration of Conflict of Interest

No

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