The elastic and mechanical properties of MB12 (M = Zr, Hf, Y, Lu) as a function of pressure

Journal of Alloys and Compounds

Volumn 546, Issue , 2013, Pages 157-164

  Korozlu, Nurettin ^a   Colakoglu, Kemal ^b   Deligoz, Engin ^c   Aydin, Sezgin ^b  

^a ERZINCAN UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

^c AKSARAY UNIVERSITY   (Turkey)

Author keywords

First principles calculations; Hardness; Mechanical properties; Pressure effect

Indexed keywords

ANISOTROPY FACTOR; BONDING NATURE; CAUCHY PRESSURE; DENSITY FUNCTIONALS; FIRST-PRINCIPLES CALCULATION; FUNCTION OF PRESSURE; GENERALIZED GRADIENT APPROXIMATIONS; MULLIKEN POPULATION ANALYSIS; PLANE WAVE; POISSON'S RATIO; PRESSURE RANGES; PRESSURE VARIATIONS; STRUCTURAL INFORMATION; TYPE STRUCTURES; YOUNG'S MODULUS;

CALCULATIONS; ELASTIC CONSTANTS; HAFNIUM; HARDNESS; LATTICE CONSTANTS; MECHANICAL PROPERTIES; PRESSURE EFFECTS; ZIRCONIUM;

ELASTIC MODULI;

EID: 84866514558     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.08.062     Document Type: Article

References (40)

1. H. Werheit, V. Filipov, K. Shirai, H. Dekura, N. Shitsevalova, U. Schwarz, and M. Armbrüster J. Phys.: Condens. Matter 23 2011 065403
2. A.E. Baranovsky, G.E. Grechnev, V.D. Fil, T.V. Ignatova, A.V. Logosha, A.S. Panfilov, I.V. Svechkarev, N.Y. Shitsevalova, V.B. Filippov, and O. Eriksson J. Alloy. Compd. 442 2007 228
3. J.F. Cannon, and P.B. Farnsworth J. Less. Common Met. 92 1983 359
4. B. Jäger, S. Paluch, O.J. Zogal, W. Wolf, P. Herzig, V.B. Filippov, N. Shitsevalova, and Y. Paderno J. Phys.: Condens. Matter 18 2006 2525
5. A. Czopnik, N. Shitsevalova, V. Pluzhnikov, A. Krivchikov, Y. Paderno, and Y. Onuki J. Phys.: Condens. Matter 17 2005 5971
6. J. Teyssier, R. Lortz, A. Petrovic, D. van der Marel, V. Filippov, and N. Shitsevalova Phys. Rev. B 78 2008 134504
7. J. Teyssier, A.B. Kuzmenko, D. van der Marel, F. Marsiglio, A.B. Liashchenko, N. Shitsevalova, and V. Filippov Phys. Rev. B 75 2007 134503
8. E. Deligoz, H. Ozisik, K. Colakoglu, G. Surucu, and Y.O. Ciftci J. Alloy. Compd. 509 2011 1711
9. A.V. Rybina, K.S. Nemkovski, P.A. Alekseev, J.M. Mignot, E.S. Clementyev, M. Johnson, L. Capogna, A.V. Dukhnenko, A.B. Lyashenko, and V.B. Filippov Phys. Rev. B 82 2010 024302
10. G.E. Grechnev, A.E. Baranovskiy, V.D. Fil, T.V. Ignatova, I.G. Kobolov, and A.V. Logosha Low Temp. Phys. 34 2008 921
11. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, P.J. Hasnip, S.J. Clark, and M.C. Payne J. Phys.: Condens. Matter 14 2002 2717
12. T.H. Fischer, and J. Almlof J. Phys. Chem. 96 1992 9768
13. J.P. Perdew, K. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
14. D. Vanderbilt Phys. Rev. B 41 1990 7892
15. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
16. N.W. Ashcroft, and N.D. Mermin Solid State Physics 1976 Saunders Philadelphia
17. J.F. Nye Physical Properties of Crystals 1957 Clarendon Oxford
18. Z-J Wu, E.J. Zhao, H.P. Xiang, X.F. Hao, X.J. Liu, and J. Meng Phys. Rev. B 76 2007 054115
19. G.V. Sin'ko, and N.A. Smirnov J. Phys.: Condens. Matter 14 2002 6989
20. F. Peng, D. Chen, H. Fu, and X. Cheng Phys. Stat. Sol. B 246 2009 71
21. V.V. Bannikov, I.R. Shein, and A.L. Ivanovskii Physica B 405 2010 4615
22. B. Mayer, H. Anton, E. Bott, M. Methfessel, J. Sticht, and P.C. Schmidt Intermetallics 11 2003 23
23. I.R. Shein, and A.L. Ivanovskii J. Phys. Condens. Matter 20 2008 415218
24. K. Kim, W.R.L. Lambrecht, and B. Segall Phys. Rev. B 50 1994 1502
25. L. Kleinman, Phys. Rev. 128 (1962) 2614.
26. W.A. Harrison Electronic Structure and Properties of Solids 1989 Dover NewYork
27. A.A. Maradudin, E.W. Montroll, G.H. Weiss, and I.P. Ipatova Theory of Lattice Dynamics in the Harmonic Approximation 1971 Academic Press New York
28. M. Rajagopalan, S. Praveen Kumar, and R. Anuthama Physica B 405 2010 1817
29. S.F. Pugh Philos. Mag. 45 1954 833
30. D.G. Pettifor Mater. Sci. Technol. 8 1992 345
31. V.V. Bannikov, I.R. Shein, and A.L. Ivanovskii Phys. Stat. Sol. (RRL) 3 2007 89
32. H. Fu, D. Li, F. Peng, T. Gao, and X. Cheng Comput. Mater. Sci. 44 2008 774
33. F. Gao, J. He, E. Wu, S. Liu, D. Yu, D. Li, S. Zhang, and Y. Tian Phys. Rev. Lett. 91 2003 015502
34. F. Gao Phys. Rev. B 69 2004 094113
35. X. Guo, J. He, Z. Liu, Y. Tian, J. Sun, and H.T. Wang Phys. Rev. B 73 2006 104115
36. X.-F. Zhou, J. Sun, Y.X. Fan, J. Chen, H.T. Wang, X. Guo, J. He, and Y. Tian Phys. Rev. B 76 2007 100101(R)
37. L. Guan, B. Liu, L. Jin, J. Guo, Q. Zhao, Y. Wang, and G. Fu Solid State Commun. 150 2010 2011
38. K. Haddadi, A. Bouhemadou, and L. Louail J. Alloy. Compd. 504 2010 296
39. Y. Li, Y. Gao, B. Xiao, T. Min, Z. Fan, S. Ma, and D. Yi J. Alloy. Compd. 509 2011 5242
40. V.B. Filippov, Yu.B. Paderno, M.A. Belogolovskii, A.A. Gusev, and I. Felner Funct. Mater. 13 2006 628