Journal of Applied Physics · 2007 · 97 citations · 43 references
Natural SciencesMaterials EngineeringMaterials ScienceInorganic ChemistryMaterials ChemistrySolid-state ChemistryAlloysCrystal ChemistryInorganic MaterialsMetal MaterialsX-ray CrystallographyX-ray DiffractionBulk ModulusElectron Energy-loss SpectroscopyLattice ParametersNitrides SynthesisSelected Area Electron DiffractionTernary CompoundsTitanium AlloysTitanium Materials
In this paper we report on the synthesis of a composition, Ti3Al(C0.5,N0.5)2, belonging to the Mn+1AXn family of ternary layered carbides and nitrides. X-ray and selected area diffraction confirm that this compound is isostructural with Ti3SiC2; its a and c-lattice parameters are 3.0404(5) and 18.414(6) Å, respectively. Chemical analysis performed by electron dispersive and electron energy loss spectroscopy confirmed the Ti3AlCN chemistry. Using a synchrotron radiation source and a diamond anvil cell, we also measured the pressure dependencies of the lattice parameters. Up to a pressure of ≈50 GPa, no phase transformations were observed. The bulk modulus is 219±4 GPa, with a pressure derivative, Ko′, of 3.7±0.3. We also fabricated the ternary Ti3AlC2, with some Sn [nominal composition Ti3(AlSn0.2)C2]. Its a and c-lattice parameters are 3.0804(7) and 18.5426(7) Å, respectively. Its bulk modulus is 226±3 GPa, with a pressure derivative, Ko′, of ≈4. In both cases, the compressibility was greater along the c than along the a axes. We also show that in the case of Tin+1AlCn MAX-phases, replacing C by N results in a decrease in both lattice parameters and bulk moduli. The apparent contradiction inherent in this observation can be reconciled by assuming that the addition of N results in the formation of vacancies on the Al and/or X-sites.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16
The MN+1AXN phases: A new class of solids
Michel W. Barsoum · Progress in Solid State Chemistry · 2000 · 3.6K citations
Natural Sciences, Chemistry, Physics +12