Nonmetal ordering in TiC1-xNx: Ground-state structure and the effects of finite temperature

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 22, 2005, Pages

  Kolb, Brian ^a   Hart, Gus L W ^a  

^a NORTHERN ARIZONA UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644440472     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.224207     Document Type: Article

References (43)

1. R. Drautz, A. Diaz-Ortiz, M. Fähnle, and H. Dosch, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.93.067202 93, 067202 (2004).
2. V. Blum and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69. 020103 69, 020103 (R) (2004).
3. M. Sanati, L. G. Wang, and A. Zunger, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.045502 90, 045502 (2003).
4. D. B. Laks, L. G. Ferreira, S. Froyen, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.46.12587 46, 12587 (1992).
5. V. Blum and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70. 155108 70, 155108 (2004).
6. A. Zunger, L. G. Wang, G. L. W. Hart, and M. Sanati, Modell. Simul. Mater. Sci. Eng. MSMEEU 0965-0393 10.1088/0965-0393/10/6/306 10, 685 (2002).
7. D. de Fontaine, M. Asta, R. McCormack, and C. Wolverton, in New Horizons for Materials, edited by, P. Vincenzini, (Techna, Faenza 1995), Vol. 4, pp. 241-246.
8. J. M. Sanchez and D. de Fontaine, in Structure and Bonding in Crystals, edited by, M. O'Keeffe, and, A. Navrotsky, (Academic Press, New York, 1981), Vol. 2, 117-132.
9. S. H. Jhi and J. Ihm, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56. 13826 56, 13826 (1997).
10. I.-J. Jung, S. Kang, S.-H. Jhi, and J. Ihm, Acta Mater. ACMAFD 1359-6454 10.1016/S1359-6454(99)00199-8 47, 3241 (1999).
11. V. T. Em and M. Y. Tashmetov, Phys. Status Solidi B PSSBBD 0370-1972 198, 571 (1996).
12. I. Karimov, V. T. Em, V. F. Petrunin, I. S. Latergaus, and V. S. Polishchuk, Neorg. Mater. NMATEI 0002-337X 12, 1492 (1976).
13. V. N. Lipatnikov and A. I. Gusev, JETP Lett. JTPLA2 0021-3640 10.1134/1.568073 69, 669 (1999).
14. T. Priem, B. Beuneu, C. H. de Novion, A. Finel, and F. Livet, J. Phys. (France) JOPQAG 0302-0738 50, 2217 (1989).
15. J. M. Sanchez, F. Ducastelle, and D. Gratias, Physica A PHYADX 0378-4371 10.1016/0378-4371(84)90096-7 128, 334 (1984).
16. G. L. W. Hart, V. Blum, M. J. Walorski, and A. Zunger, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1374 4, 391 (May 2005).
17. V. Blum, G. L. W. Hart, M. J. Walorski, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.165113 72, 165113 (2005).
18. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996).
19. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
20. S. Froyen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.39.3168 39, 3168 (1989).
21. A. van de Walle and G. Ceden, J. Phase Equilib. JPEQE6 1054-9714 10.1361/105497102770331596 23, 348 (2002).
22. J. Shao, J. Am. Stat. Assoc. 0162-1459 88, 486 (1993).
23. K. Baumann, Trends Analyt. Chem. 0167-2940 22, 395 (2003).
24. R. Dronskowski and P. E. Blöchl, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100135a014 97, 8617 (1993).
25. O. K. Andersen, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.12.3060 12, 3060 (1975).
26. O. K. Andersen and O. Jepsen, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.2571 53, 2571 (1984).
27. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
28. P. E. Blöchl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
29. W. Lengauer, S. Binder, K. Aigner, P. Ettmayer, A. Guillou, J. Debuigne, and G. Groboth, J. Alloys Compd. JALCEU 0925-8388 10.1016/0925-8388(94)01315-9 217, 137 (1995).
30. K. Aigner, W. Lengauer, D. Rafaja, and P. Ettmayer, J. Alloys Compd. JALCEU 0925-8388 10.1016/0925-8388(94)90828-1 315, 121 (1994).
31. V. P. Zhukov, V. A. Gubanov, O. Jepsen, N. E. Christensen, and O. K. Andersen, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(88)90037-6 49, 841 (1988).
32. A. F. Guillermet and G. Grimvall, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.10582 40, 10582 (1989).
33. A. R. Guillermet and G. Grimvall, J. Phys. Chem. Solids JPCSAW 0022-3697 10.1016/0022-3697(92)90019-A 53, 105 (1992).
34. S.-H. Jhi, J. Ihm, S. G. Louie, and M. L. Cohen, Nature (London) NATUAS 0028-0836 10.1038/20148 399, 132 (1999).
35. D. D. Fontaine, Solid State Phys. SSPHAE 0081-1947 34, 73 (1979).
36. J. M. Cowley, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1699415 21, 24 (1950).
37. M. A. Krivoglaz, Diffuse Scattering of X-Rays and Neutrons by Fluctuations (Springer, New York, 1996).
38. L. H. Schwartz and J. B. Cohen, Diffraction from Materials (Academic Press, New York, 1977).
39. Z. W. Lu, D. B. Laks, S.-H. Wei, and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.6642 50, 6642 (1994).
40. H. W. Hugosson, P. Korzhavyi, U. Jansson, B. Johansson, and O. Eriksson, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.165116 63, 165116 (2001).
41. J. O. Kim, J. Achenbach, P. B. Mirkarimi, M. Shinn, and S. A. Barnett, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.351651 72, 1805 (1992).
42. R. Chang and L. J. Graham, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.1707923 37, 3778 (1966).
43. S. P. Dodd, M. Cankurtaran, and B. James, J. Mater. Sci. JMTSAS 0022-2461 10.1023/A:1022845109930 38, 1107 (2003).