Abstract
We report on the one-phonon Raman scattering spectra from the following M2AC MAX-phase ternary carbides: Ti2AlC, V2AlC, Cr2AlC, Nb2AlC, Ta2AlC, Ti2InC, Hf2InC, V2GeC, Cr2GeC, V2AsC, and Nb2AsC. We also report the results of calculations of the Γ-point, Raman-active phonon energies for these phases based on density functional theoretical simulations, including the effect of the k-point sampling on the convergence of phonon energies. Good agreement between all measured and calculated Γ-point Raman-active optical phonon energies is obtained.
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M.W. Barsoum, A. Murugaiah, S.R. Kalidindi T. Zhen: Kinking nonlinear elastic solids, nanoindentations and geology. Phys. Rev. Lett. 92, 255508 2004
M.W. Barsoum, T. Zhen, S.R. Kalidindi, M. Radovic A. Murugahiah: Fully reversible, dislocation-based Ti3SiC2 to 1 GPa. Nat. Mater. 2, 107 2003
R.A. Guyer P.A. Johnson: Nonlinear mesoscopic elasticity: Evidence for a new class of solids. Physics Today 52, 30 1999
R.A. Guyer, K.R. McCall G.N. Boitnott: Hysteresis, discrete memory and nonlinear wave propagation in rock: A new paradigm. Phys. Rev. Lett. 74, 3491 1995
M.W. Barsoum: The Mn+1AXn phases: A new class of solids; Thermodynamically stable nanolaminates. Prog. Solid State Chem. 28, 201 2000
M.W. Barsoum T. El-Raghy: The MAX phases: Unique new carbide and nitride materials. Am. Sci. 89, 336 2000
J.E. Spanier, S. Gupta, M. Amer M.W. Barsoum: Vibrational behavior of the Mn+ 1AXn phases from first-order Raman scattering (M = Ti,V,Cr, A = Si, X = C, N). Phys. Rev. B 71, 012103 2005
S. Gupta M.W. Barsoum: (unpublished)
S.E. Lofland, J.D. Hettinger, K. Harrell, P. Finkel, S. Gupta, M.W. Barsoum G. Hug: Elastic and electronic properties of select M2AX phases. Appl. Phys. Lett. 84, 508 2004
M.W. Barsoum, I. Salama, T. El-Raghy, J. Golczewski, W.D. Porter, H. Wang, H. Siefert F. Aldinger: Thermal and electrical properties of Nb2AlC, (Ti, Nb)2AlC and Ti2AlC. Metall. Mater. Trans. A 33a, 2779 2002
S. Gupta M.W. Barsoum: Synthesis and oxidation of V2AlC and (Ti0.5,V0.5)2AlC in air. J. Electrochem. Soc. 151, D24 2004
I. Salama, T. El-Raghy M.W. Barsoum: Synthesis and mechanical properties of Nb2AlC and (Ti,Nb)2AlC. J. Alloys Compd. 347, 271 2002
J.D. Hettinger, S.E. Lofland, P. Finkel, T. Meehan, J. Palma, K. Harrell, S. Gupta, A. Ganguly, T. El-Raghy M.W. Barsoum: Electrical transport, thermal transport, and elastic properties of M2AlC (M = Ti, Cr, Nb, and V). Phys. Rev. B 72, 115120 2005
B. Manoun, R.P. Gulve, S.K. Saxena, S. Gupta, M.W. Barsoum C.S. Zha: Compression behavior of M2AlC (M = Ti, V, Cr, Nb, and Ta) phases to above 50 GPa. Phys. Rev. B 73, 024110 2006
M.W. Barsoum, J. Golczewski, H.J. Siefert F. Aldinger: Fabrication and electrical and thermal properties of Ti3InC, Hf2InC and (Ti,Hf)2InC. J. Alloys Compd. 340, 173 2002
G. Kresse J. Furthmuller: Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys. Rev. B 54, 11169 1996
K. Parlinski, Z.Q. Li Y. Kawazoe: First-principles determination of the soft mode in cubic ZrO2. Phys. Rev. Lett. 78, 4063 1997
Materials Design MedeA software, Version 2.2.1. Materials Design, Angel Fire, NM, 2006
G. Kresse D. Joubert: From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758 1999
P.E. Blöchl: Projector augmented-wave method. Phys. Rev. B 50, 17953 1994
J.P. Perdew, K. Burke M. Ernzerhof: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865 1996
J.C. Schuster, H. Nowotny C. Vaccaro: The ternary systems: CrAlC, VAlC, and TiAlC and the behavior of H-phases (M2AlC). J. Solid State Chem. 32, 213 1980
Acknowledgments
We thank Dr. Alexander Mavromaras and Dr. Paul Saxe of Materials Design for helpful discussions. We acknowledge the National Science Foundation (NSF) for support under DMR-0503711. Oren D. Leaffer also acknowledges support under a Graduate Assistantship in Areas of National Need (GAANN) grant in Materials at Drexel University from the United States Department of Education under Award No. P200A060117.
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Leaffer, O.D., Gupta, S., Barsoum, M.W. et al. On Raman scattering from selected M2AC compounds. Journal of Materials Research 22, 2651–2654 (2007). https://doi.org/10.1557/JMR.2007.0376
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DOI: https://doi.org/10.1557/JMR.2007.0376