Substitution behavior of Si in Al3Ti(D022): A first-principles study

Journal of Physics Condensed Matter

Volumn 21, Issue 41, 2009, Pages

  Zhu, Guoliang ^a   Dai, Yongbing ^a   Shu, Da ^a   Wang, Jun ^a   Sun, Baode ^a  

^a SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITIES OF STATE; FERMI ENERGY LEVELS; FIRST-PRINCIPLES; FIRST-PRINCIPLES STUDY; HEAT OF FORMATION; PLANE-WAVE PSEUDOPOTENTIAL METHOD; SI CONCENTRATION; SITE PREFERENCES; SUB-LATTICES;

ALUMINUM; DENSITY FUNCTIONAL THEORY; SOLID STATE PHYSICS; THERMOCHEMISTRY;

SILICON;

EID: 70349320381     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/21/41/415503     Document Type: Article

References (38)

1. Mondolfo L F 1976 Aluminum Alloys: Structure and Properties (London: Butterworth)
2. Srivatsan T S, Anand S, Sriram S and Vasudevan V K 2000 Mater. Sci. Eng. A 281 292
3. Nagao M, Oosumi K and Nakamura T 1996 J. Japan Inst. Light Met. 46 588
4. Yang Y S, Zhang Q S, He Y L and Hu Z Q 2001 Sci. Technol. Adv. Mater. 2 271
5. Raman A and Schubert K 1965 Z. Metallk. 56 44
6. Shu D, Zhu G L, Wang J and Sun B D 2007 Chinese Patent CN101086042 (in Chinese)
7. Hoffmeyer M K and Perepezko J H 1990 Light Met. 1991 1105
8. Gupta S P 2002 Mater. Charact. 49 321
9. Munroe R and Baker I 1991 J. Mater. Res. 6 943
10. Larson D J and Miller M K 1998 Mater. Sci. Eng. A 250 72
11. Yu R, He L L and Ye H Q 2002 Phys. Rev. B 65 184102
12. Jansen H J F and Freeman A J 1984 Phys. Rev. B 30 561
13. Ravi C, Mathijaya S, Valsakumar M C and Asokamani R 2002 Phys. Rev. B 65 155118
14. Andersen O K and Jepsen O 1984 Phys. Rev. Lett. 53 2571
15. Sluiter M H F and Kawazoe Y 1995 Phys. Rev. B 51 4062
16. Andersen O K 1975 Phys. Rev. B 12 3060
17. Payne M C, Teter M P, Allan D C, Arias T A and Joannopoulos J D 1992 Rev. Mod. Phys. 64 1045
18. Segall M D, Lindan P J D, Probert M J, Pickard C J, Hasnip P J, Clark S J and Payne M C 2002 J. Phys.: Condens. Matter 14 2717
19. Hohenberg P and Kohn W 1964 Phys. Rev. B 136 864
20. Pack J D and Monkhorst H J 1977 Phys. Rev. B 16 1748
21. Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
22. Fischer T H and Almlof J 1992 J. Phys. Chem. 96 9768
23. Srinivasan S, Desch P B and Schwarz R B 1991 Scr. Metall. Mater. 25 2513
24. Maas J, Bastin G, van Loo F and Metselaar R Z 1983 Z. Metallk. 74 294
25. Frazier W E and Benci J E 1991 Scr. Metall. Mater. 25 2267
26. Sridharan S and Nowotny H Z 1983 Z. Metallk. 74 468
27. Hong T, Watson-Yang T J, Freeman A J, Oguchi T and Xu J H 1990 Phys. Rev. B 41 12462
28. Fu C L 1990 J. Mater. Res. 5 971
29. Asta M, de Fontaine D, van Schilfgaarde M, Sluiter M and Methfessel M 1992 Phys. Rev. B 46 5055
30. Kubaschewski O and Dench W A 1955 Acta. Metall. 3 339
31. Stuve J M and Ferrante M J 1974 Report of Investigations-United States, Bureau of Mines 7834
32. Hansen M 1958 Constitution of Binary Alloys (New York: McGraw-Hill)
33. Allred A L and Rochow E G J 1958 J. Inorg. Nucl. Chem. 5 264
34. Ershbaumer H, Podloucky R, Rogl P, Temnitschka G and Wagner R 1993 Intermetallics 1 99
35. Watson R E and Weinert M 1998 Phys. Rev. B 58 5981
36. Robbins M O and Falicov L M 1984 Phys. Rev. B 29 1333
37. Colinet C and Pasturel A 2002 Intermetallics 10 751
38. Zou J, Fu C L and Yoo M H 1995 Phil. Mag. Lett. 71 45