Cubic Hf3N4 and Zr3N4: A class of hard materials

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 18, 2003, Pages

  Mattesini, M ^a   Ahuja, R ^a   Johansson, B ^a,b  

^a UPPSALA UNIVERSITY   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

HAFNIUM; NITROGEN DERIVATIVE; ZIRCONIUM DERIVATIVE;

AB INITIO CALCULATION; ARTICLE; COMPUTER MODEL; CORRELATION FUNCTION; CRYSTAL STRUCTURE; ELASTICITY; GEOMETRY; HARDNESS; MATERIALS; PRESSURE;

EID: 0346434056     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.184108     Document Type: Article

References (31)

1. A. Zerr, G. Miehe, and R. Riedel, Nat. Mater. 2, 185 (2003).
2. K.E. Spear, J. Am. Ceram. Soc. 72, 171 (1989).
3. G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993).
4. Phys. Rev. B G. Kresse and J. Hafner, 49, 14251 (1994).
5. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
6. G. Kresse J. Furthmüller Phys. Rev. B 54, 11169 (1996).
7. W. Kohn and L.J. Sham, Phys. Rev. 140, A1133 (1965).
8. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964).
9. P.E. Blöchl, Phys. Rev. B 50, 17953 (1994).
10. D.M. Ceperley and B.J. Alder, Phys. Rev. Lett. 45, 566 (1980).
11. J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
12. J.P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
13. P.E. Blöchl, O. Jepsen, and O.K. Andersen, Phys. Rev. B 49, 16223 (1994).
14. H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976).
15. F. Birch, J. Geophys. Res. 83, 1257 (1978).
16. J. F. Nye, Physical Properties of Crystals: Their Representation by Tensors and Matrices (Oxford University Press, New York, 1985).
17. M.J. Mehl, Phys. Rev. B 47, 2493 (1993).
18. M. Born and K. Huang, Dynamical Theory of Crystal Lattices (Clarendon, Oxford, 1956).
19. B.B. Karki, G.J. Ackland, and J. Crain, J. Phys.: Condens. Matter 9, 8579 (1997).
20. D. C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972), Chap. 1.
21. W. Voigt, Lehrburch der Kristallphysik (Teubner, Leipzig, 1928).
22. A. Reuss, Z. Angew. Math. Mech. 9, 49 (1929).
23. R. Hill, Proc. Phys. Soc. London 65, 350 (1952).
24. V.V. Brazhkin, A.G. Lyapin, and R.J. Hemley, Philos. Mag. A 82, 231 (2002).
25. M. Mattesini, Ph.D. thesis, University of Bordeaux I, France, 2001.
26. M. Mattesini and S.F. Matar, Phys. Rev. B 65, 075110 (2002).
27. S.F. Pugh, Philos. Mag. 45, 823 (1954).
28. V. Tvergaard and J.W. Hutchinson, J. Am. Ceram. Soc. 71, 157 (1988).
29. B.B. Karki, L. Stixrude, S.J. Clark, M.C. Warren, G.J. Ackland, and J. Crain, Am. Mineral. 82, 51 (1997).
30. D.M. Teter, MRS Bull. 23, 22 (1998).
31. S. Ogata, N. Hirosaki, C. Kocer, and Y. Shibutani, J. Mater. Sci. 18, 1168 (2003).