Abstract
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
Supplementary materials
Title
SI
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