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First‐order Raman scattering of the MAX phases: Ti 2 AlN, Ti 2 AlC 0.5 N 0.5 , Ti 2 AlC, (Ti 0.5 V 0.5 ) 2 AlC, V 2 AlC, Ti 3 AlC 2 , and Ti 3 GeC 2
Author(s) -
Presser Volker,
Naguib Michael,
Chaput Laurent,
Togo Atsushi,
Hug Gilles,
Barsoum Michel W.
Publication year - 2012
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/jrs.3036
Subject(s) - raman spectroscopy , raman scattering , materials science , order (exchange) , density functional theory , max phases , analytical chemistry (journal) , crystallography , chemistry , physics , computational chemistry , metallurgy , optics , carbide , finance , chromatography , economics
Here, we report, for the first time, on the Raman spectra of Ti 2 AlN, Ti 2 AlC 0.5 N 0.5 , (Ti 0.5 V 0.5 ) 2 AlC, Ti 3 AlC 2 , and Ti 3 GeC 2 and compare the results with those of Ti 2 AlC and V 2 AlC reported previously. The first‐order mode peaks of the end members are narrower than those of their respective solid‐solution compounds. The Ti 3 AlC 2 and Ti 3 GeC 2 phases show, in addition to atomic displacements of the ‘M’ and ‘A’ atomic planes, modes that correspond with vibrations of the ‘X’ sublattice relative to itself. We also predict the Raman modes using density functional theory. The agreement between theory and experiment was found to be satisfactory. Copyright © 2011 John Wiley & Sons, Ltd.