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Research PapersNo Access

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L1₂ INTERMETALLICS Ti₃Al AND Y₃Al

Ahi Evran University, Education Faculty, Science Education Department, 40100 Kırşehir, Turkey

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Ahi Evran University, Institute of Sciences, 40100 Kırşehir, Turkey

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Dumlupınar University, Department of Physics, Faculty of Arts and Sciences, 43100 Kütahya, Turkey

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Ahi Evran University, Central Research and Practice Laboratory (AHILAB), 40100 Bağbaşı-Kırşehir, Turkey

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Ahi Evran University, Central Research and Practice Laboratory (AHILAB), 40100 Bağbaşı-Kırşehir, Turkey

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Gazi University, Department of Physics, Faculty of Science, 06500 Ankara, Turkey

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Gazi University, Department of Physics, Faculty of Science, 06500 Ankara, Turkey

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Laboratoire de Physique Quantique et de Modélisation Mathématique de la Matière (LPQ3M), Université de Mascara, 29000 Mascara, Algeria

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Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001, India

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https://doi.org/10.1142/S0217984913502242Cited by:3 (Source: Crossref)

Abstract

In this paper, the structural, elastic and phonon properties of Ti₃Al and Y₃Al in L1₂(Cu₃Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0–500 K are obtained using the quasi-harmonic model.

Keywords:

References

P. C. Sahuet al., Phys. Rev. Lett. 78, 1054 (1997), DOI: 10.1103/PhysRevLett.78.1054. Crossref, Web of Science, Google Scholar
C. Ravi and R. Asokamani, Bull. Mater. Sci. 26, 97 (2003), DOI: 10.1007/BF02712793. Crossref, Web of Science, Google Scholar
H. A. Lipsitt, Mater. Res. Soc. Symp. Proc. 39, 351 (1985), DOI: 10.1557/PROC-39-351. Crossref, Web of Science, Google Scholar
K. Maruyamaet al., Acta Mater. 52, 5185 (2004), DOI: 10.1016/j.actamat.2004.07.029. Crossref, Web of Science, ADS, Google Scholar
H. Zhang and S. Wang, J. Mater. Sci. Technol. 26, 1071 (2010). Crossref, Web of Science, Google Scholar
S. Tadićet al., Mater. Technol. 44, 357 (2010). Google Scholar
P. Magnusson, J. Chen and W. Hoffelner, Metall. Mater. Trans. A 40A, 2837 (2009). Google Scholar
C. Colinet, Intermetallics 11, 1095 (2003), DOI: 10.1016/S0966-9795(03)00147-X. Crossref, Web of Science, Google Scholar
C. Colinet and A. Pasturel, Intermetallics 10, 751 (2002), DOI: 10.1016/S0966-9795(02)00054-7. Crossref, Web of Science, Google Scholar
C. L. Chenet al., J. Mater. Res. 24, 1662 (2009), DOI: 10.1557/jmr.2009.0211. Crossref, Web of Science, ADS, Google Scholar
D. Sonradurai, B. Panigrahi and N. Ramani, J. Alloys Compd. 305, 35 (2000). Crossref, Web of Science, Google Scholar
P. Ravindran and R. Asokamani, Phys. Rev. B 50, 668 (1994), DOI: 10.1103/PhysRevB.50.668. Crossref, Web of Science, ADS, Google Scholar
P. Ravindran and R. Asokamani, Bull. Mater. Sci. 20, 613 (1997), DOI: 10.1007/BF02744780. Crossref, Web of Science, Google Scholar
T. Honget al., Phys. Rev. B 43, 1940 (1991), DOI: 10.1103/PhysRevB.43.1940. Crossref, Web of Science, Google Scholar
L. Zeng and S. Wang, J. Alloys Compd. 351, 176 (2003), DOI: 10.1016/S0925-8388(02)01062-9. Crossref, Web of Science, Google Scholar
R. Ferro and A. Saccone , Intermetallic Chemistry ( Pergamon , Oxford , 2008 ) . Google Scholar
R. E. Watson, M. Weinert and M. Alatalo, Phys. Rev. B 65, 014103 (2001), DOI: 10.1103/PhysRevB.65.014103. Crossref, Web of Science, Google Scholar
T. Dagerhamn, Arkiv Kemi 27, 363 (1967). Google Scholar
M. Astaet al., Phys. Rev. B 46, 5055 (1992), DOI: 10.1103/PhysRevB.46.5055. Crossref, Web of Science, ADS, Google Scholar
P. Hohenberg and W. Kohn, Phys. Rev. B 136, 864 (1964). Crossref, Web of Science, Google Scholar
W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965). Crossref, Web of Science, Google Scholar
P. Giannozziet al., J. Phys.: Condens. Matter 21, 395502 (2009), DOI: 10.1088/0953-8984/21/39/395502. Crossref, Web of Science, Google Scholar
J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996), DOI: 10.1103/PhysRevLett.77.3865. Crossref, Web of Science, ADS, Google Scholar
E. I. Isaev, QHA project (2009), , http://qe-forge.org/gf/project/qha/ . Google Scholar
S. Q. Wang and H. Q. Ye, Phys. Status Solidi B 240, 45 (2003), DOI: 10.1002/pssb.200301861. Crossref, ADS, Google Scholar
Ş. Uğuret al., J. Rare Earths 27, 664 (2009), DOI: 10.1016/S1002-0721(08)60311-7. Crossref, Web of Science, Google Scholar
F. D. Murnaghan, Proc. Natl. Acad. Sci. USA 50, 244 (1944). Google Scholar
Ş. Uğur, Mater. Sci. Eng. B 162, 116 (2009), DOI: 10.1016/j.mseb.2009.03.013. Crossref, Web of Science, Google Scholar
A. T. Petit and P. L. Dulong, Ann. Chim. Phys. 10, 395 (1819). Google Scholar

Journal cover image

Vol. 27, No. 30

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History

Received 24 July 2013

Revised 31 August 2013

Accepted 8 October 2013

Published: 19 November 2013

Keywords