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- W2058231323 abstract "Thin films of ${M}_{n+1}A{X}_{n}$ layered compounds in the $mathrm{Ti}text{ensuremath{-}}mathrm{Si}text{ensuremath{-}}mathrm{C}$ system were deposited on $mathrm{MgO}(111)$ and ${mathrm{Al}}_{2}{mathrm{O}}_{3}(0001)$ substrates held at $900ifmmode^circelsetextdegreefi{}mathrm{C}$ using dc magnetron sputtering from elemental targets of $mathrm{Ti}$, $mathrm{Si}$, and $mathrm{C}$. We report on single-crystal and epitaxial deposition of ${mathrm{Ti}}_{3}{mathrm{SiC}}_{2}$ (the previously reported $MAX$ phase in the $mathrm{Ti}text{ensuremath{-}}mathrm{Si}text{ensuremath{-}}mathrm{C}$ system), a previously unknown $MAX$ phase ${mathrm{Ti}}_{4}{mathrm{SiC}}_{3}$ and another type of structure having the stoichiometry of ${mathrm{Ti}}_{5}{mathrm{Si}}_{2}{mathrm{C}}_{3}$ and ${mathrm{Ti}}_{7}{mathrm{Si}}_{2}{mathrm{C}}_{5}$. The latter two structures can be viewed as an intergrowth of 2 and 3 or 3 and 4 $M$ layers between each $A$ layer. In addition, epitaxial films of ${mathrm{Ti}}_{5}{mathrm{Si}}_{3}{mathrm{C}}_{mathrm{x}}$ were deposited and ${mathrm{Ti}}_{5}{mathrm{Si}}_{4}$ is also observed. First-principles calculations, based on density functional theory (DFT) of ${mathrm{Ti}}_{n+1}{mathrm{SiC}}_{n}$ for $n=1$,2,3,4 and the observed intergrown ${mathrm{Ti}}_{5}{mathrm{Si}}_{2}{mathrm{C}}_{3}$ and ${mathrm{Ti}}_{7}{mathrm{Si}}_{2}{mathrm{C}}_{5}$ structures show that the calculated difference in cohesive energy between the $MAX$ phases reported here and competing phases ($mathrm{TiC}$, ${mathrm{Ti}}_{3}{mathrm{SiC}}_{2}$, ${mathrm{TiSi}}_{2}$, and ${mathrm{Ti}}_{5}{mathrm{Si}}_{3}$) are very small. This suggests that the observed ${mathrm{Ti}}_{5}{mathrm{Si}}_{2}{mathrm{C}}_{3}$ and ${mathrm{Ti}}_{7}{mathrm{Si}}_{2}{mathrm{C}}_{5}$ structures at least should be considered as metastable phases. The calculations show that the energy required for insertion of a $mathrm{Si}$ layer in the $mathrm{TiC}$ matrix is independent of how close the $mathrm{Si}$ layers are stacked. Hardness and electrical properties can be related to the number of $mathrm{Si}$ layers per $mathrm{Ti}$ layer. This opens up for designed thin film structures the possibility to tune properties." @default.
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- W2058231323 date "2004-10-01" @default.
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- W2058231323 doi "https://doi.org/10.1103/physrevb.70.165401" @default.
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