Elastic stability and electronic structure of pyrite type PtN 2: A hard semiconductor

Applied Physics Letters

Volumn 88, Issue 5, 2006, Pages 1-3

  Yu, R ^a   Zhan, Q ^b   Zhang, X F ^a  

^a LAWRENCE BERKELEY NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ELASTIC STABILITY; N-N COVALENT BONDING; PYRITE STRUCTURE [PTN2 (C2)];

BONDING; CRYSTAL STRUCTURE; ELASTICITY; ELECTRONIC STRUCTURE; FLUORSPAR; SEMICONDUCTOR MATERIALS;

PYRITES;

EID: 31944443933     PISSN: 00036951     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2168683     Document Type: Article

References (30)

1. E. Gregoryanz, C. Sanloup, M. Somayazulu, J. Badro, G. Fiquet, H. K. Mao, and R. J. Hemley, Nat. Mater. 3, 294 (2004).
2. R. Yu and X. F. Zhang, Appl. Phys. Lett. 86, 121 913 (2005).
3. A. F. Goncharov and J. C. Crowhurst, J. Low Temp. Phys. 139, 727 (2005).
4. B. R. Sahu and L. Kleinman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71. 041101 71, 041101 (2005); B. R. Sahu and L. Kleinman, Phys. Rev. B 72, 119901 (2005).
5. B. R. Sahu and L. Kleinman, Phys. Rev. B 0163-1829 10.1103/PhysRevB.71. 041101 71, 041101 (2005); B. R. Sahu and L. Kleinman, Phys. Rev. B 72, 119901 (2005).
6. R. Yu and X. F. Zhang, Phys. Rev. B 72, 054103 (2005).
7. J. Uddin and G. E. Scuseria, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72. 035101 72, 035101 (2005); J. Uddin and G. E. Scuseria, Phys. Rev. B 72, 119902 (2005).
8. J. Uddin and G. E. Scuseria, Phys. Rev. B 0163-1829 10.1103/PhysRevB.72. 035101 72, 035101 (2005); J. Uddin and G. E. Scuseria, Phys. Rev. B 72, 119902 (2005).
9. C. Z. Fan, L. L. Sun, Y. X. Wang, Z. J. Wei, R. P. Liu, S. Y. Zeng, and W. K. Wang, Chin. Phys. Lett. 22, 2637 (2005).
10. M. B. Kanoun and S. Goumri-Said, Phys. Rev. B 72, 113103 (2005).
11. L. E. Toth, Transition Metal Carbides and Nitrides (Academic, New York, 1971).
12. H. Pierson, Handbook of Refractory Carbides and Nitrides: Properties, Characteristics and Applications (Noyes, Westwood, NJ, 1996).
13. J. C. Crowhurst (private communication).
14. W. B. Pearson, A Handbook of Lattice Spacings and Structures of Metals and Alloys (Pergamon, Oxford, 1967), Vol. 2.
15. P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, " WIEN2k, an augmented plane wave + local orbitals program for calculating crystal properties., " Karlheinz Schwarz, Techn. Universität Wien, Austria, 2001, ISBN 3-9501031-1-2.
16. P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
17. P. Hohenberg and W. Kohn, Phys. Rev. 0031-899X 10.1103/PhysRev.136.B864 136, B864 (1964); W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965).
18. E. Sjöstedt, L. Nordström, and D. J. Singh, Solid State Commun. 114, 15 (2000).
19. P. E. Blöchl, O. Jepsen, and O. K. Andersen, Phys. Rev. B 49, 16223 (1994).
20. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
21. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).
22. P. Vinet, J. Ferrante, J. H. Rose, and J. R. Smith. J. Geophys. Res., 92, 9319 (1987).
23. J. F. Nye, Physical Properties of Crystals (Oxford University Press, Oxford, 1985).
24. R. Hill, Proc. Phys. Soc. London 65, 349 (1952).
25. E. A. Brandes, Smithells Metal Reference Book, 6th ed. (Butterworths, London, 1983).
26. D. M. Teter, MRS Bull. 23, 22 (1998).
27. V. V. Brazhkin, A. G. Lyapiny, and R. J. Hemley, Philos. Mag. A 82, 231 (2002).
28. K. Kunc and R. M. Martin, in Ab Initio Calculation of Phonon Spectra, edited by, J. T. Devreese, V. E. Van Doren, and, P. E. Van Camp, (Plenum, New York, 1983), p. 65.
29. H. T. Stokes and D. M. Hatch, 2002, ISOTROPY, stokes.byu.edu/isotropy. html.
30. R. F. W. Bader, Atoms in Molecules: A Quantum Theory (Oxford University Press, New York, 1990).