Oxygen and nitrogen interstitial ordering in hcp Ti, Zr, and Hf: An ab initio study

Physical Review B - Condensed Matter and Materials Physics

Volumn 82, Issue 13, 2010, Pages

  Ruban, A V ^a   Baykov, V I ^a   Johansson, B ^a   Dmitriev, V V ^b   Blanter, M S ^b  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b MOSCOW STATE UNIVERSITY   (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 78049404211     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.82.134110     Document Type: Article

References (53)

1. T. Tsuji, J. Nucl. Mater. 247, 63 (1997). 10.1016/S0022-3115(97)00064-0
2. M. S. Blanter and A. G. Khachaturyan, Metall. Trans. A 9A, 753 (1978). 10.1007/BF02649784
3. V. A. Somenkov, A. V. Irodova, and S. Sh. Shilshtein, Solid State Phys. 20, 3076 (1978).
4. B. Holmberg, Acta Chem. Scand. 16, 1245 (1962). 10.3891/acta.chem.scand. 16-1245
5. S. Yamaguchi, J. Phys. Soc. Jpn. 27, 155 (1969). 10.1143/JPSJ.27.155
6. M. Koiwa and M. Hirabayashi, J. Phys. Soc. Jpn. 27, 801 (1969). 10.1143/JPSJ.27.801
7. S. Yamaguchi, K. Hiraga, and M. Hirabayashi, J. Phys. Soc. Jpn. 28, 1014 (1970). 10.1143/JPSJ.28.1014
8. S. Yamaguchi, J. Phys. Soc. Jpn. 24, 855 (1968). 10.1143/JPSJ.24.855
9. S. Hashimoto, H. Iwasaki, S. Ogawa, S. Yamaguchi, and M. Hirabayashi, J. Appl. Crystallogr. 7, 67 (1974). 10.1107/S0021889874008727
10. T. Arai and M. Hirabayashi, J. Less-Common Met. 44, 291 (1976). 10.1016/0022-5088(76)90144-2
11. T. Tsuji, M. Amaya, and K. Naito, J. Therm. Anal. 38, 1817 (1992). 10.1007/BF01974676
12. T. Tsuji and M. Amaya, J. Nucl. Mater. 223, 33 (1995). 10.1016/0022-3115(95)00019-4
13. M. Hirabayashi, S. Yamaguchi, and T. Arai, J. Phys. Soc. Jpn. 35, 473 (1973). 10.1143/JPSJ.35.473
14. B. Holmberg, Acta Chem. Scand. (1947-1973) 16, 1255 (1962). 10.3891/acta.chem.scand.16-1255
15. Kubaschewski-von Goldbeck, At. Energy Rev. 6, 98 (1976).
16. H. Okamoto, Bull. Alloy Phase Diagrams 12, 146 (1990). 10.1007/BF02841699
17. A. G. Khachaturyan, Theory of Structural Transformations in Solids (Wiley, New York, 1983).
18. M. A. Krivoglaz, X-ray and Neutron Diffraction in Nonideal Crystals (Springer, Berlin, 1995)
19. Diffuse Scattering of X-Rays and Neutrons by Fluctuations (Springer, Berlin, 1996).
20. M. Ivasishin, N. S. Kosenko, S. V. Shevchenko, V. A. Tatarenko, and C. L. Tsynman, Metalophysica Novejshie Technologii 19, 8 (1997) (in Russian).
21. M. S. Blanter, I. S. Golovin, E. B. Granovsky, and H.-R. Sinning, J. Alloys Compd. 345, 1 (2002). 10.1016/S0925-8388(02)00322-5
22. A. G. Khachaturyan, Theory of Phase Transformation and Structure of Solid Solutions (Nauka, Moscow, 1974) (in Russian).
23. V. N. Bugaev and V. A. Tatarenko, Interaction and Arrangement of Atoms in Interstitial Solid Solutions Based on Closed-Packed Metals (Naukova Dumka, Kiev, 1989) (in Russian).
24. P. Hohenberg and W. Kohn, Phys. Rev. 136, B864 (1964) 10.1103/PhysRev.136.B864
25. W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
26. P. A. Korzhavyi, L. V. Pourovskii, H. W. Hugosson, A. V. Ruban, and B. Johansson, Phys. Rev. Lett. 88, 015505 (2001). 10.1103/PhysRevLett.88.015505
27. C. Domain, C. S. Becquart, and J. Foct, Phys. Rev. B 69, 144112 (2004). 10.1103/PhysRevB.69.144112
28. C. Domain, J. Nucl. Mater. 351, 1 (2006). 10.1016/j.jnucmat.2006.02.025
29. S. X. Tao, P. H. L. Notten, R. A. van Santen, and A. P. J. Jansen, Phys. Rev. B 79, 144121 (2009). 10.1103/PhysRevB.79.144121
30. T. Hoshino, W. Schweika, R. Zeller, and P. H. Dederichs, Phys. Rev. B 47, 5106 (1993). 10.1103/PhysRevB.47.5106
31. A. V. Ruban and I. A. Abrikosov, Rep. Prog. Phys. 71, 046501 (2008). 10.1088/0034-4885/71/4/046501
32. F. Ducastelle and F. Gautier, J. Phys. F: Met. Phys. 6, 2039 (1976). 10.1088/0305-4608/6/11/005
33. A. V. Ruban, S. Shallcross, S. I. Simak, and H. L. Skriver, Phys. Rev. B 70, 125115 (2004). 10.1103/PhysRevB.70.125115
34. P. Soven, Phys. Rev. 156, 809 (1967). 10.1103/PhysRev.156.809
35. D. W. Taylor, Phys. Rev. 156, 1017 (1967). 10.1103/PhysRev.156.1017
36. B. L. Gyorffy, Phys. Rev. B 5, 2382 (1972). 10.1103/PhysRevB.5.2382
37. A. V. Ruban and H. L. Skriver, Phys. Rev. B 66, 024201 (2002) 10.1103/PhysRevB.66.024201
38. A. V. Ruban, S. I. Simak, P. A. Korzhavyi, and H. L. Skriver, Phys. Rev. B 66, 024202 (2002). 10.1103/PhysRevB.66.024202
39. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
40. G. Kresse and J. Hafner, Phys. Rev. B 48, 13115 (1993) 10.1103/PhysRevB.48.13115
41. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996). 10.1016/0927-0256(96)00008-0
42. J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). 10.1103/PhysRevLett.77.3865
43. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13, 5188 (1976). 10.1103/PhysRevB.13.5188
44. Phase Equilibria, Crystallographic and Thermodynamic Data of Binary Alloys, Landolt-Börnstein, New Series, Group 4: Physical Chemistry Group IV, Physical Chemistry, Vol. 5 (Springer-Verlag, Berlin, 1994).
45. L. Vitos, Phys. Rev. B 64, 014107 (2001) 10.1103/PhysRevB.64.014107
46. L. Vitos, I. A. Abrikosov, and B. Johansson, Phys. Rev. Lett. 87, 156401 (2001). 10.1103/PhysRevLett.87.156401
47. A. V. Ruban and H. L. Skriver, Comput. Mater. Sci. 15, 119 (1999). 10.1016/S0927-0256(99)00003-8
48. M. S. Blanter, A. V. Ruban, and V. V. Dmitriev, J. Phys. Chem. Solids.
49. V. A. Tatarenko and C. L. Tsynman, Metalophysica Novejshie Technologii 19, 9 (1997) (in Russian).
50. K. L. Komarek and M. Silver, Proc. IAEA Symposium On Thermodynamics of Nuclear Materials (IAEA, Vienna, 1962).
51. M. D. Silver, P. A. Farrar, and K. L. Komarek, Trans. Metall. Soc. AIME 227, 876 (1963).
52. G. E. Murch and R. J. Thorn, Acta Metall. 27, 201 (1979). 10.1016/0001-6160(79)90097-X
53. M. S. Blanter and L. B. Magalas, Scr. Mater. 43, 435 (2000). 10.1016/S1359-6462(00)00450-4