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Where is the unpaired transition metal in substoichiometric diboride line compounds?
- Source :
-
Acta Materialia . Feb2021, Vol. 204, pN.PAG-N.PAG. 1p. - Publication Year :
- 2021
-
Abstract
- The atomic structure and local composition of high quality epitaxial substoichiometric titanium diboride (TiB 1.9) 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 ¯ 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 TiB 2 and are delineated by insertion of dislocations. An accompanied decrease in Ti-Ti bond lengths along and across the faults is observed. Image, graphical abstract [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 13596454
- Volume :
- 204
- Database :
- Academic Search Index
- Journal :
- Acta Materialia
- Publication Type :
- Academic Journal
- Accession number :
- 147856257
- Full Text :
- https://doi.org/10.1016/j.actamat.2020.116510