Skip to Main content Skip to Navigation
Journal articles

The mixed intermetallic silicide Nb5-xTaxSi3 (0 ≤ x ≤ 5). Crystal and electronic structure.

Abstract : Intermetallic transition metals silicides are of particular interest because of their specific properties such as high melting point, oxidation resistance, creep resistance and toughness. Single crystals have been obtained for both low and high temperature polymorphs of the compound Nb5−xTaxSi3 (0 ⩽ x ⩽ 5). Although different, their X-ray structures are both solved and refined in the tetragonal I4/mcm space group. The low temperature polymorph belongs to the Cr5B3 structural type (a = 6.5262 Å and c = 11.866 Å for composition Nb3.9Ta16.1Si12) while the high temperature polymorph adopts the W5Si3 structural type (a = 9.9870 Å and c = 5.0794 Å at composition Nb10.3Ta9.7Si12). Structure stability and bonding within the mixed compound Nb5−xTaxSi3 are analyzed comparatively with Nb5Si3 and Ta5Si3 parents, by means of DFT calculations.
Complete list of metadata

https://hal.archives-ouvertes.fr/hal-00906162
Contributor : Monique Tillard Connect in order to contact the contributor
Submitted on : Thursday, May 19, 2022 - 3:55:04 PM
Last modification on : Monday, May 23, 2022 - 1:37:49 PM

File

NbTaSi.pdf
Files produced by the author(s)

Identifiers

Collections

Citation

Monique Tillard. The mixed intermetallic silicide Nb5-xTaxSi3 (0 ≤ x ≤ 5). Crystal and electronic structure.. Journal of Alloys and Compounds, Elsevier, 2014, 584, pp.385-392. ⟨10.1016/j.jallcom.2013.09.078⟩. ⟨hal-00906162⟩

Share

Metrics

Record views

39

Files downloads

0