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

نویسندگان

چکیده

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, image simulations. unpaired Ti is pinpointed to inclusion Ti-based stacking faults within a few layers, which terminates the {11¯00} prismatic planes crystal attributed absence B between that locally relaxes structure. This mechanism allows line compound accommodate off-stoichiometry remain defects. planar defects are embedded in otherwise stoichiometric TiB2 delineated insertion dislocations. An accompanied decrease Ti-Ti bond lengths along across observed.

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ژورنال

عنوان ژورنال: Acta Materialia

سال: 2021

ISSN: ['1873-2453', '1359-6454']

DOI: https://doi.org/10.1016/j.actamat.2020.116510