Dense yttria phase eclipsing the A-type sesquioxide structure: High-pressure experiments and ab initio calculations

Inorganic Chemistry

Volumn 49, Issue 10, 2010, Pages 4478-4485

  Yusa, Hitoshi ^a   Tsuchiya, Taku ^b   Sata, Nagayoshi ^c   Ohishi, Yasuo ^d  

^a NATIONAL INSTITUTE FOR MATERIALS SCIENCE   (Japan)

^b EHIME UNIVERSITY   (Japan)

^c JAPAN AGENCY FOR MARINE EARTH SCIENCE AND TECHNOLOGY   (Japan)

^d JAPAN SYNCHROTRON RADIATION RESEARCH INSTITUTE   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77952124902     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic100042z     Document Type: Article

References (36)

1. Yamamoto, O. Electrochim. Acta 2000, 45, 2423
2. Shannon, R. D. Acta Crystallogr. A 1976, 32, 751; We quoted the trivalent cationic radii with six coordination number from this article.
3. Wickersheim, K. A. and Lefever, R. A. J. Electrochem. Soc. 1964, 111, 47
4. Jones, S. L., Kumar, D., Singh, R. K., and Holloway, P. H. Appl. Phys. Lett. 1997, 71, 404
5. Lu, J., Lu, J., Murai, T., Takaichi, K., Uematsu, T., Ueda, K., Yagi, H., Yanagitani, T., and Kaminskii, A. A. Jpn. J. Appl. Phys. 2001, 40, L1277
6. Lu, J., Takaichi, K., Uematsu, T., Shirakawa, A., Musha, M., Ueda, K., Yagi, H., Yanagitani, T., and Kaminskii, A. A. Jpn. J. Appl. Phys. 2002, 41, L1373
7. Hoekstra, H. R. and Gingerich, K. A. Science 1964, 146, 1163
8. Hoekstra, H. R. Inorg. Chem. 1966, 5, 754
9. Atou, T., Kusaba, K., Fukuoka, K., Kikuchi, M., and Syono, Y. J. Solid State Chem. 1990, 89, 378
10. Wang, L., Pan, Y., Ding, Y., Yang, W., Mao, W. L., Sinogeikin, S. V., Meng, Y., Shen, G., and Mao, H. K. Appl. Phys. Lett. 2009, 94, 061921
11. Husson, E., Proust, C., Gillet, P., and Itie, J. P. Mater. Res. Bull. 1999, 34, 2085
12. Katagiri, S., Ishizawa, N., and Marumo, F. Powder Diffraction 1993, 8, 60
13. Swamy, V., Dubrovinskaya, N. A., and Dubrovinsky, L. S. J. Mater. Res. 1999, 14, 456
14. Umemoto, K. and Wentzcovitch, R. M. Proc. Natl. Acad. Sci. U.S.A. 2008, 105, 6526
15. Yusa, H., Tsuchiya, T., Tsuchiya, J., Sata, N., and Ohishi, Y. Phys. Rev. B 2008, 78, 092107
16. Yusa, H., Tsushiya, T., Sata, N., and Ohishi, Y. Inorg. Chem. 2009, 48, 7537
17. Hammersley, A. P. FIT2D: An Introduction and overview. European Synchrotron Radiation Facility Internal Report ESRF97HA02T, 1997.
18. Andeson, O. L., Isaak, D. G., and Yamamoto, S. J. Appl. Phys. 1989, 65, 1534
19. Hohenberg, P. and Kohn, W. Phys. Rev. 1964, 136, B864
20. Ceperley, D. M. and Alder, B. J. Phys. Rev. Lett. 1980, 45, 566
21. Perdew, J. P. and Zunger, A. Phys. Rev B 1981, 23, 5048
22. Perdew, J. P., Burke, K., and Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865
23. http://www.pwscf.org.
24. Vanderbilt, D. Phys. Rev. B 1990, 41, 7892
25. Monkhorst, H. J. and Pack, J. D. Phys. Rev. B 1976, 13, 5188
26. Larson, A. C. and Von Dreele, R. B. General Structure Analysis System (GSAS). Los Alamos National Laboratory Report LAUR, 2004; pp 86 - 748.
27. Xu, Y. N., Gu, Z. q., and Ching, W. Y. Phys. Rev. B 1997, 56, 14993
28. Liu, D., Lei, W., Li, Y., Ma, Y., Hao, J., Chen, X., Jin, Y., Liu, D., Yu, S., Cui, Q., and Zou, G. Inorg. Chem. 2009, 48, 8251
29. Hyde, B. G. and Anderson, S. Inorganic Crystal Structures; Wiley: New York, 1989; pp 245 - 247.
30. Atou, T., Kusaba, K., Tsuchida, Y., Utsumi, W., Yagi, T., and Syono, Y. Mater. Res. Bull. 1989, 24, 1171
31. Atou, T., Kusaba, K., Syono, Y., Kikegawa, T., and Iwasaki, H. In High-Pressure Research Application to Earth and Planetary Sciences; Terra Pub.: Tokyo, 1992; pp 469 - 475.
32. Hahn, T. International Table for Crystallography, A, 5 th ed.; Kluwer: Dordrecht, 2002; pp 540 - 541.
33. Hoppe, R. Z. Kristallogr. 1979, 150, 23
34. Momma, K. and Izumi, F. Comission on Crystallogr. Comput., IUCr Newslett. 2006, No. 7:106; a program VESTA performs calculations of ECoN.
35. Baur, W. H. Acta Crystallogr. B 1974, 30, 1195
36. Pauling, L. The Nature of the Chemical Bond; Cornell University Press: Ithaca, 1960; pp 93.