Phase formation of Nb2AlC investigated by combinatorial thin film synthesis and ab initio calculations
2017 (English)In: Journal of the European Ceramic Society, ISSN 0955-2219, E-ISSN 1873-619X, Vol. 37, no 1, 35-41 p.Article in journal (Refereed) Published
The phase formation of Nb2AlC was studied by combinatorial thin film synthesis and ab initio calculations. Thin films with lateral chemical composition gradients were synthesized by DC magnetron sputtering at substrate temperatures of 710-870 degrees C. The lowest formation temperature for Nb2AlC is between 710 and 750 degrees C. A predominantly single phase Nb2AlC region where 99% of the X-ray diffraction intensity originate from Nb2AlC was identified. Furthermore, selected area electron diffraction analysis reveals the local formation of single phase Nb2AlC. The limited Al solubility in Nb2AlC compared with Cr2AlC can be understood by comparing the defect formation energy of Al substituting Nb and Cr in Nb2AlC and Cr2AlC, respectively. This methodology may serve as indicator for the magnitude of the A-element homogeneity range in M(n+1)AX(n) phases. The structural and elastic properties of Nb2AlC determined experimentally are in very good agreement with the ab initio calculated data.
Place, publisher, year, edition, pages
2017. Vol. 37, no 1, 35-41 p.
M(n+1)AX(n) phases, Combinatorial magnetron sputtering, Ab initio calculations, Elastic property, Homogeneity range
IdentifiersURN: urn:nbn:se:uu:diva-307255DOI: 10.1016/j.jeurceramsoc.2016.08.005ISI: 000384852400004OAI: oai:DiVA.org:uu-307255DiVA: diva2:1046493
FunderGerman Research Foundation (DFG), SPP 1568