Research PapersNo Access

Vibrational, mechanical and thermodynamical properties of RE₂Ti₂O₇ (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores

A. K. Kushwaha

A. K. Kushwaha

Department of Physics, Kashi Naresh Government PG College, Gyanpur, Bhadohi 221304, Uttar Pradesh, India

E-mail Address: akkphys_bu@yahoo.com

E-mail Address: kushwaha.ar@gmail.com

Search for more papers by this author

https://doi.org/10.1142/S0217979217501454Cited by:4 (Source: Crossref)

Abstract

Vibrational, mechanical, thermodynamical properties and thermal conductivities of RE₂Ti₂O₇ (RE = Sm, Gd, Dy, Ho, Er and Yb) pyrochlores have been calculated using a proposed eight-parameter bond-bending force constant model. The main outcome of present calculation is that the first neighbor interaction (Ti–O) is stronger than the second neighbor interactions (RE–O). This means that the bonding between Ti and O is more ionic than the one between RE and O. It is also found that the bond strength of RE–O and the bulk modulus decrease in the sequence Sm $>$ Gd $>$ Dy $>$ Ho $>$ Er $>$ Yb. The bulk moduli and Young’s moduli of RE₂Ti₂O₇ also decrease when RE changes from Sm to Yb.

Keywords:

PACS: 63.20.-e, 62.20.-x

You currently do not have access to the full text article.
Recommend the journal to your library today!

References

1. A. V. Shyakhtina et al., Mater. Res. Bull. 42, 742 (2007). Crossref, Web of Science, Google Scholar
2. A. R. West, Solid State Chemistry and Its Applications (Wiley, Chichester, 1985). Google Scholar
3. J. C. Boivin and G. Mairesse, Chem. Mater. 10, 2870 (1998). Crossref, Web of Science, Google Scholar
4. R. S. Palov et al., J. Am. Ceram. Soc. 85, 1197 (2002). Crossref, Web of Science, Google Scholar
5. D. P. Cann, C. A. Randall and T. R. Shrout, Solid State Commun. 100, 529 (1996). Crossref, Web of Science, ADS, Google Scholar
6. T. R. Shrout and S. L. Swartz, Mater. Res. Bull. 18, 663 (1983). Crossref, Web of Science, Google Scholar
7. R. Vassen et al., J. Am. Ceram. Soc. 83, 2023 (2000). Crossref, Web of Science, Google Scholar
8. G. Suresh et al., J. Nucl. Mater. 249, 259 (1997). Crossref, Web of Science, ADS, Google Scholar
9. B. J. Wuensch et al., Solid State Ion. 129, 111 (2000). Crossref, Web of Science, Google Scholar
10. R. C. Ewing, W. J. Weber and J. Lian, J. Appl. Phys. 95, 5949 (2004). Crossref, Web of Science, ADS, Google Scholar
11. A. Sayir, S. C. Farmer and F. Dynys, in Advances in Electronic and Electrochemical Ceramics (John Wiley and Sons, 2006), p. 57. Crossref, Google Scholar
12. A. Sayede et al., J. Appl. Phys. 113, 173501 (2013). Crossref, Web of Science, ADS, Google Scholar
13. J. M. Farmer et al., J. Alloys Compd. 605, 63 (2014). Crossref, Web of Science, Google Scholar
14. E. R. Aluri and A. P. Grosvenor, J. Alloys Compd. 616, 516 (2014). Crossref, Web of Science, Google Scholar
15. H. C. Gupta et al., J. Raman Spectrosc. 32, 41 (2001). Crossref, Web of Science, ADS, Google Scholar
16. H. C. Gupta et al., J. Mol. Struct. 937, 136 (2009). Crossref, Web of Science, ADS, Google Scholar
17. T. Shimanouchi, M. Tsuiboi and T. Miyazawa, J. Chem. Phys. 35, 1597 (1961). Crossref, Web of Science, ADS, Google Scholar
18. S. Kumar and H. C. Gupta, Vib. Spectrosc. 62, 180 (2012). Crossref, Web of Science, Google Scholar
19. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). Crossref, Web of Science, ADS, Google Scholar
20. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964). Crossref, Web of Science, ADS, Google Scholar
21. S. Baroni et al., Rev. Mod. Phys. 73, 515 (2001). Crossref, Web of Science, ADS, Google Scholar
22. P. Giannozzi et al., Phys. Rev. B 43, 7231 (1991). Crossref, Web of Science, ADS, Google Scholar
23. A. W. Sleight, Inorg. Chem. 7, 1704 (1969). Crossref, Web of Science, Google Scholar
24. S. Saha et al., Phys. Rev. B 78, 214102 (2008). Crossref, Web of Science, ADS, Google Scholar
25. C. Z. Bi et al., J. Phys. C 17, 5225 (2005). Google Scholar
26. M. T. Vandenborre et al., J. Raman Spectrosc. 14, 63 (1983). Crossref, Web of Science, ADS, Google Scholar
27. T. T. A. Lummen et al., Phys. Rev. B 77, 214310 (2008). Crossref, Web of Science, ADS, Google Scholar
28. M. Maczka et al., J. Raman Spectrosc. 39, 537 (2008). Crossref, Web of Science, ADS, Google Scholar
29. M. A. Subramanian, G. Aravamudan and G. V. S. Rao, Prog. Solid State Chem. 15, 55 (1983). Crossref, Web of Science, Google Scholar
30. A. F. Fuentes et al., Solid State Sci. 7, 343 (2005). Crossref, Web of Science, ADS, Google Scholar
31. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Oxford University Press, Oxford, 1954). Google Scholar
32. Y. Luan, Ph.D. thesis Elastic Properties of Complex Transition Metal Oxides Studied by Resonant Ultrasound Spectroscopy, The University of Tennessee, Knoxville (2011). Google Scholar
33. S. F. Pugh, Philos. Mag. 45, 823 (1954). Crossref, Web of Science, Google Scholar
34. X. P. Gao et al., J. Alloys Compd. 587, 819 (2014). Crossref, Web of Science, Google Scholar
35. B. Huang et al., J. Alloys Compd. 635, 213 (2015). Crossref, Web of Science, Google Scholar
36. C. X. Li, Y. H. Duan and W. C. Hu, J. Alloys Compd. 619, 66 (2015). Crossref, Web of Science, Google Scholar
37. U. P. Wdowik, K. Parlinski and A. Siegel, J. Phys. Chem. Solids 67, 1477 (2006). Crossref, Web of Science, ADS, Google Scholar
38. E. Schreiber, O. L. Anderson and N. Soga, Elastic Constants and Their Measurement (McGraw-Hill, New York, 1973). Google Scholar
39. C. G. Liu et al., Comput. Mater. Sci. 114, 233 (2016). Crossref, Web of Science, Google Scholar
40. X. H. Zhang, Z. P. Wang and Y. J. Qiao, Acta Mater. 59, 5584 (2011). Crossref, Web of Science, ADS, Google Scholar
41. M. Mattesini, R. Ahuja and B. Johansson, Phys. Rev. B 68, 184108 (2003). Crossref, Web of Science, ADS, Google Scholar
42. V. Tvergaard and W. J. Hutchinson, J. Am. Ceram. Soc. 71, 157 (1988). Crossref, Web of Science, Google Scholar
43. I. N. Frantsevich, F. F. Voronov and S. A. Bokuta, Elastic Constants and Elastic Moduli of Metals and Insulators (Naukova Dumka, Kiev, 1982), p. 60. Google Scholar
44. J. J. Lewandowski, W. H. Wang and A. L. Greer, Philos. Mag. Lett. 85, 77 (2005). Crossref, Web of Science, ADS, Google Scholar
45. D. G. Pettifor, Mater. Sci. Technol. 8, 345 (1992). Crossref, Web of Science, ADS, Google Scholar
46. A. K. Kushwaha, Comput. Mater. Sci. 69, 505 (2013). Crossref, Web of Science, Google Scholar
47. G. Grimvall, Thermo Physical Properties of Materials (North-Holland, Amsterdam, 1999). Google Scholar
48. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1997). Google Scholar
49. R. F. S. Hearmon, An Introduction to Applied Anisotropic Elasticity (Oxford University Press, London, 1961). Crossref, Google Scholar
50. D. R. Clarke, Surf. Coat. Technol. 163, 67 (2003). Crossref, Web of Science, Google Scholar
51. D. R. Clarke and C. G. Levi, Annu. Rev. Mater. Res. 33, 383 (2003). Crossref, Web of Science, ADS, Google Scholar
52. D. G. Cahill, S. K. Watson and R. O. Pohl, Phys. Rev. B 46, 6131 (1992). Crossref, Web of Science, ADS, Google Scholar