NANOLAYERED MAX PHASES FROM ab initio CALCULATIONS
2008 (English)In: International Journal of Modern Physics B, ISSN 0217-9792, Vol. 22, no 25-26, 4495-4499 p.Article in journal (Refereed) Published
The advancement in new materials processing and fabrication techniques has made it possible to better control the atomistic level of structures in a way, which was not feasible only a decade ago. If one can couple this atomic control with a good understanding of the relationship between structure and properties, this will in the future lead to a significant contribution to the synthesizing of tailor-made materials. In this paper we have focused on, the structurally related nanolayered ternary compounds M(N+1)AX(N), (MAX) where N = 1, 2 or 3, M is an early transition metal, A is an A-group (mostly IIIA and IVA) element, and X is either C and/or N, which has attracted increasing interest owing to their unique properties. The general relations between the electronic structure and materials properties of MAX phases have been elaborated based on ab initio calculations.
Place, publisher, year, edition, pages
2008. Vol. 22, no 25-26, 4495-4499 p.
Molecular-dynamics, transition-metals, ti3sic2, nitrides, carbides, nacl
Engineering and Technology
IdentifiersURN: urn:nbn:se:kth:diva-24643DOI: 10.1142/S0217979208050243ISI: 000260804900022OAI: oai:DiVA.org:kth-24643DiVA: diva2:352390
QC 201009202010-09-202010-09-202011-02-01Bibliographically approved