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Bonding and Elastic Properties in Ti2AC (A = Ga or Tl)
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 Title & Authors
Bonding and Elastic Properties in Ti2AC (A = Ga or Tl)
Kang, Dae-Bok;
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 Abstract
The chemical bonding and elastic properties of (A = Ga, Tl) have been investigated by means of extended Hckel tight-binding band structure calculations. The bulk modulus of decreases as Ga is replaced with Tl at the A sites. This can be understood by considering the relative strength of Ti-A bonds resulting from the different atomic size of 3A-group elements. The analysis of the projected density of states (PDOS) and the crystal orbital overlap population (COOP) for the respective phases shows that Ti-Ga bonds in are stronger than Ti-Tl bonds in .
 Keywords
Electronic structure;Elastic properties;MAX phase;
 Language
English
 Cited by
1.
Theoretical study of the effects of vacancy and oxygen impurity on Ti2GaC), Chinese Physics B, 2015, 24, 8, 088101  crossref(new windwow)
 References
1.
Barsoum, M. W. Prog. Solid State Chem. 2000, 28, 201. crossref(new window)

2.
Eklund, P.; Beckers, M.; Jansson, U.; Hogberg, H.; Hultman, L. Thin Solid Films 2010, 518, 1851. crossref(new window)

3.
Liao, T.; Wang, J. Y.; Zhou, Y. C. J. Phys. Condens. Matter 2006, 18, L527. crossref(new window)

4.
Medkour, Y.; Bouhemadou, A.; Roumili, A. Solid State Commun. 2008, 148, 459. crossref(new window)

5.
Shein, I. R.; Ivanovskii, A. L. Phys. C 2010, 470, 533. crossref(new window)

6.
Romero, M.; Escamilla, R. Comput. Mater. Sci. 2012, 55, 142. crossref(new window)

7.
Ghebouli, M. A.; Ghebouli, B.; Fatmi, M.; Bouhemadou, A. Intermetallics 2011, 19, 1936. crossref(new window)

8.
Sun, Z. M.; Li, S.; Ahuja, R.; Schneider, J. M. Solid State Commun. 2004, 129, 589. crossref(new window)

9.
Bouhemadou, A. Mod. Phys. Lett. B 2008, 22, 2063. crossref(new window)

10.
Cover, M. F.; Warschkow, O.; Bilek, M. M. M.; McKenzie, D.R. J. Phys. Condens. Matter 2009, 21, 305403. crossref(new window)

11.
Wang, J. M.; Wang, J. Y.; Zhou, Y. C.; Hu, C. F. Acta Mater. 2008, 56, 1511. crossref(new window)

12.
Bai, Y. L.; He, X. D.; Li, Y. B.; Zhu, C. C.; Li, M. W. Solid State Commun. 2009, 149, 2156. crossref(new window)

13.
Zhou, Y. C.; Sun, Z. M.; Wang, X. H.; Chen, S. Q. J. Phys. Condens. Matter 2001, 13, 10001. crossref(new window)

14.
Sun, Z. M.; Ahuja, R.; Li, S.; Schneider, J. M. Appl. Phys. Lett. 2003, 83, 899. crossref(new window)

15.
Sun, Z. M.; Music, D.; Ahuja, R.; Li, S.; Schneider, J. M. Phys. Rev. B 2004, 70, 092102. crossref(new window)

16.
Hug, G. Phys. Rev. B 2006, 74, 184113. crossref(new window)

17.
Wang, J. Y.; Zhou, Y. C. Phys. Rev. B 2004, 69, 214111. crossref(new window)

18.
Liao, T.; Wang, J. Y.; Zhou, Y. C. J. Mater. Res. 2009, 24, 556. crossref(new window)

19.
Liao, T.; Wang, J. Y.; Zhou, Y. C. Phys. Rev. B 2006, 73, 214109. crossref(new window)

20.
Whangbo, M.-H.; Hoffmann, R. J. Am. Chem. Soc. 1978, 100, 6093. crossref(new window)

21.
Whangbo, M.-H.; Hoffmann, R.; Woodward, R. B. Proc. R. Soc. A 1979, 366, 23. crossref(new window)

22.
Bouhemadou, A.; Khenata, R. J. Appl. Phys. 2007, 102, 043528. crossref(new window)

23.
Warner, J. A.; Patil, S. K. R.; Khare, S. V.; Masiulaniec, K. C. Appl. Phys. Lett. 2006, 88, 101911. crossref(new window)

24.
Jeitschko, W.; Nowotny, H.; Benesovsky, F. J. Less-common Met. 1964, 7, 133. crossref(new window)

25.
Pauling, L. The Nature of the Chemical Bond; Cornell University Press: Ithaca, New York, 1960.