Effects of additives in α- and θ-alumina: An ab initio study

Journal of Physics Condensed Matter

Volumn 16, Issue 49, 2004, Pages 8971-8980

  Wallin, Erik ^a   Andersson, Jon M ^a   Chirita, Valeriu ^a   Helmersson, Ulf ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITIVES; DOPING (ADDITIVES); PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS; SUBSTRATES; THERMODYNAMIC STABILITY;

CHEMICAL INERTNESS; METASTABLE PHASES; RELATIVE STABILITY; SURFACE AREA;

ALUMINA;

EID: 10844259131     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/16/49/012     Document Type: Article

References (36)

1. Levin I and Brandon D 1998 J. Am. Ceram, Soc. 81 1995
2. Dörre E and Hübner H 1984 Alumina: Processing, Properties, and Applications (Berlin: Springer)
3. Ismagilov Z R, Shkrabina R A and Koryabkina N A 1999 Catal, Today 47 51
4. Zywitzki O and Hoetzsch G 1996 Surf. Coat. Technol. 86/87 640
5. Zywitzki O, Hoetzsch G, Fietzke F and Goedicke K 1996 Surf. Coat. Technol. 82 169
6. Loong C-K, Richardson J W Jr and Ozawa M 1997 J. Alloys Compounds 250 356
7. Bye G C and Simpkin G T 1974 J. Am. Ceram. Soc. 57 267
8. Ragan D D, Mates T and Clarke D R 2003 J. Am. Ceram. Soc. 86 541
9. Douy A 1997 Key Eng. Mater. 132-136 101
10. Kumar K-N P, Tranto J, Kumar J and Engeil J E 1996 J. Mater. Sci. Lett. 15 266
11. Hohenberg P and Kohn W 1964 Phys. Rev. 136 B864
12. Kohn W and Sham L J 1965 Phys. Rev. 140 A1133
13. Shannon R D 1976 Acta Crystallogr. A 32 751
14. Wyckoff R W G 1964 Crystal Structures 2nd edn, vol 2 (New York: Interscience) pp 6-8
15. Zhou R-S and Snyder R L 1991 Acta Crystallogr. B 47 617
16. Gutiérrez G and Johansson B 2002 Phys. Rev. B 65 104202
17. Kresse G and Furthmüller J 1996 Phys. Rev. B 54 11169
18. Perdew J P, Chevary J A, Vosko S H, Jackson K A, Pederson M R, Singh D J and Fiolhais C 1992 Phys. Rev. B 46 6671
19. Vanderbilt D 1990 Phys. Rev. B 41 7892
20. Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188
21. Ashcroft N W and Mermin N D 1976 Solid State Physics (Orlando, FL: Harcourt)
22. Lee S, Bylander D M and Kleinman L 1990 Phys. Rev. B 42 1316
23. Murnaghan F D 1944 Proc. Natl Acad. Sci. USA 30 244
24. Birch F 1952 J. Geophys. Res. 57 227
25. Wolverton C and Hass K C 2000 Phys. Rev. B 63 024102
26. Lodziana Z and Parlinski K 2003 Phys. Rev. B 67 174106
27. CRC Handbook of Chemistry and Physics 2004 (Boca Raton, FL: CRC Press) section 5 (www.hbcpnetbase.com)
28. Ristic M, Popovic S and Music S 1993 Mater. Lett. 16 309
29. Sitte W 1985 Mater. Sci. Monogr. A 28 451
30. Sato Y and Akimoto S 1979 J. Appl. Phys. 50 5285
31. Yokokawa T and Kleppa O J 1964 J. Phys. Chem. 68 3246
32. Andersson J M, Czigany Zs, Jin P and Helmersson U 2004 J. Vac. Sci. Technol. A 22 117
33. McHale J M, Auroux A, Perotta A J and Navrotsky A 1997 Science 277 788
34. French R H 1990 J. Am. Ceram. Soc. 73 477
35. Franchy R, Schmilz G, Gassmann P and Bartolucci F 1997 Appl. Phys. A 65 551
36. Mo S-D and Ching W Y 1998 Phys. Rev. B 57 15219