Atomistic simulation study of spinel oxides: Zinc aluminate and zinc gallate

Journal of the American Ceramic Society

Volumn 82, Issue 12, 1999, Pages 3337-3341

  Pandey, Ravindra ^a,b,c   Gale, Julian D ^a,b,c   Sampath, Suresh K ^a,b,c   Recio, Jose M ^a,b,c  

^a MICHIGAN TECHNOLOGICAL UNIVERSITY   (United States)

^b IMPERIAL COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL DEFECTS; CRYSTAL LATTICES; DECOMPOSITION; DISSOLUTION; ELASTICITY; EQUATIONS OF MOTION; OXIDES; POTENTIAL ENERGY; SOAKING PITS; ZINC COMPOUNDS;

ZINC ALUMINATE; ZINC GALLATE;

CERAMIC MATERIALS;

EID: 0033327483     PISSN: 00027820     EISSN: None     Source Type: Journal    
DOI: 10.1111/j.1151-2916.1999.tb02248.x     Document Type: Article

References (22)

1. S. K. Sampath and J. F. Cordaro, "Optical Properties of Zinc Aluminate, Zinc Gallate, and Zinc Aluminogallate Spinels," J. Am. Ceram. Soc., 81, 649-54 (1998).
2. Invented by J. F. Cordaro while a member of the academic staff of Michigan Technological University. Licensed for research purposes to Michigan Technological University. Developed by J. F. Cordaro of QivaStar, Inc., Ridgecrest, CA, and L. E. Long of Hughes Space and Communications Co., El Segundo, CA. U.S. Pat. No. 5 807 909, Sept. 15, 1998.
3. QivaStar, Inc., Ridgecrest, CA, and Hughes Space and Communications Co., El Segundo, CA. U.S. Pat. No. 5 820669, Oct. 13, 1998.
4. R. J. Hill, J. R. Craig, and G. V. Gibbs, "Systematics of the Spinel Structure Type," Phys. Chem. Miner., 4, 317-39 (1979).
5. S. K. Sampath, D. G. Kanhere, and R. Pandey, "Electronic Structure of Spinel Oxides: Zinc Aluminate and Zinc Gallate," J. Phys.: Condens Matter, 11, 3635-44 (1999).
6. A. N. Cormack, G. V. Lewis, S. C. Parker, and C. R. A. Catlow, "On the Cation Distribution of Spinels," J. Phys. Chem. Solids, 49 [1] 53-57 (1988).
7. C. R. A. Catlow, C. M. Freeman, M. S. Islam, R. A. Jackson, M. Leslies, and S. M. Tomlinson, "Interatomic Potentials for Oxides," Philos. Mag. A, 58, 123 (1988).
8. M. P. Tosi, "Cohesion of Ionic Solids in the Born Model," Solid State Phys., 16, 1 (1964).
9. R. A. Jackson and C. R. A. Catlow, "Computer Simulation Studies of Zeolite Structure," Mol. Simul., 1, 207 (1988).
10. B. G. Dick and A. W. Overhauser, "Theory of the Dielectric Constants of Alkali Halide Crystals," Phys. Rev., 112 [1] 90-103 (1958).
11. J. D. Gale, "GULP: A Computer Program for the Symmetry-Adapted Simulation of Solid," J. Chem. Soc. Faraday Trans., 93, 629 (1997).
12. T. S. Bush, J. D. Gale, C. R. A. Catlow, and P. D. Battle, "Self-Consistent Interatomic Potentials for the Simulation of Binary and Ternary Oxides," J. Mater. Chem., 4, 83 (1994).
13. P. W. Fowler and N. C. Pyper, "In-Crystal Ionic Polarizabilities Derived by Combining Experimental and ab Initio Results," Proc. R. Soc. London A, 398, 377-93 (1985).
14. J. D. Gale, "Empirical Potential Derivation for Ionic Materials," Philos. Mag. B., 73, 3 (1995).
15. 4): Comparisons with Silicate Spinels," Phys. Chem. Miner., 13, 215-20 (1986).
16. G. V. Lewis and C. R. A. Catlow, "Potential Models for Ionic Oxides," J. Phys. C: Solid State Phys., 18, 1149 (1985).
17. R. W. Grimes, D. J. Binks, and A. B. Lidiard, "The Extent of Zinc Oxide Solution in Zinc Chromate Spinel," Philos. Mag. A., 72, 651-68 (1995).
18. 4 (Spinel) versus Pressure,↔ Phys. Rev. B: Condens Matter, 49 [20] 14179-87 (1994).
19. 4 Spinel to 65 GPa," Phys. Rev. B: Condens Matter, 56, 1-4 (1994).
20. 2," J. Phys. Chem. A, 102, 1595-601 (1998).
21. C. R. A. Catlow and W. C. Mackrodt, Lectures Notes in Physics, Vol. 166, Ch. I, Springer, Berlin, 1982.
22. 4," Philos. Mag. Lett., 73, 51-62 (1996).