TITLE

Oxygen incorporation in Ti2AlC: Tuning of anisotropic conductivity

AUTHOR(S)
Rosen, J.; Dahlqvist, M.; Simak, S. I.; McKenzie, D. R.; Bilek, M. M. M.
PUB. DATE
August 2010
SOURCE
Applied Physics Letters;8/16/2010, Vol. 97 Issue 7, p073103
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The substitution of oxygen for carbon in Ti2AlC M(n+1)AXn (MAX) phase, forming Ti2AlC1-xOx, has recently been reported. In this paper we simulate the effect of oxygen incorporation on mechanical and electronic properties using ab initio calculations. While the mechanical properties are not sensitive to the change in composition, the electronic properties can be tuned by varying the oxygen concentration. As the concentration increases, the conduction changes from in plane, typical of MAX phases, to conduction also in the c-direction. The conduction along c passes from insulating to n-type and then finally to p-type. These findings reveal an anisotropic semiconducting material.
ACCESSION #
52997958

 

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