Structural and thermodynamic properties of the cubic perovskite BiAlO3

Physica B: Condensed Matter

Volumn 404, Issue 20, 2009, Pages 3534-3538

  Bouhemadou, A ^a   Khenata, R ^b   Amrani, B ^b  

^a FERHAT ABBAS UNIVERSITY   (Algeria)

^b UNIVERSITÉ DE MASCARA   (Algeria)

Author keywords

Ab initio; Elastic constants; Perovskites; Quasi harmonic Debye model; Thermodynamic properties

Indexed keywords

AB INITIO; CUBIC PEROVSKITE; ELASTIC PROPERTIES; FINITE STRAIN; HEAT CAPACITIES; MACROSCOPIC PROPERTIES; PRESSURE AND TEMPERATURE; PSEUDOPOTENTIAL PLANE-WAVE METHOD; QUASI-HARMONIC DEBYE MODEL; STRUCTURAL PARAMETER; VOLUME EXPANSION;

DEBYE TEMPERATURE; HARMONIC ANALYSIS; LATTICE VIBRATIONS; OXIDE MINERALS; PEROVSKITE; THERMODYNAMICS;

ELASTIC CONSTANTS;

EID: 72049117350     PISSN: 09214526     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.physb.2009.05.052     Document Type: Article

References (37)

1. Bednorz J.G., and Muller K.A. Phys. Rev. Lett. 52 (1984) 2289
2. Samantaray C.B., Sim H., and Hwang H. Microelectronics J. 36 (2005) 725
3. Samantaray C.B., Sim H., and Hwang H. Physica B 351 (2004) 158
4. Baettig P., Schelle C.F., Lesar R., Waghmare U.V., and Spaldin N.A. Chem. Mater. 17 (2005) 1376
5. Wang H., Wang B., Li Q., Zhu Z., Wang R., and Woo C.H. Phys. Rev. B 75 (2007) 245209
6. Frederikse H.P.R., Thurber W.R., and Hosler W.R. Phys. Rev. 134 (1964) A442
7. Koonce C.S., Cohen M.L., Schooley J.F., Hosler W.R., and Pfeiffer E.R. Phys. Rev. 163 (1967) 380
8. Henrich V.E. Rep. Prog. Phys. 48 (1985) 1481
9. Henrich V.E., and Cox P.A. The Surface Science of Metals Oxides (1994), Cambridge University Press, New York
10. Auciello O., Scott J.F., and Ramesh R. Phys. Today 51 (1998) 22
11. Mete E., Shaltaf R., and Ellialtioǧlu S. Phys. Rev. B 68 (2003) 035119
12. Hill N.A., and Rabe K.M. Phys. Rev. B 59 (1999) 8759
13. Schardi R., and Hill N.A. Chem. Mater. 13 (2001) 2892
14. Belik A.A., Takano M., Boguslavsky M.V., Stefanovich S.Y., and Lazoryak B.I. Chem. Mater. 18 (2006) 33
15. Belik A.A., Stefanovich S.Y., Lazoryak B.I., and Takayama-Muromachi E. Chem. Mater. 18 (2006) 1964
16. Belik A.A., Iikubo S., Kodama K., Igamwa N., Shamoto S., Maie M., Nagaie T., Matsui Y., Stefanovich S.Y., Lazoryak B.I., and Takayama-Muromachi E. J. Am. Chem. Soc. 128 (2006) 706
17. Zylberberg J., Belik A.A., Takayama-Muromachi E., and Ye Z. Chem. Mater. 19 (2007) 6385
18. R.V.K. Mangalam, S.V. Bhat, A. Lyo, Y. Tanaka, A. Sundaresan, C.N.R. Rao, Solid State Commun., 10.10.1016/j.ssc2008.03.039.
19. Wang H., Wang B., Zhu Z., Wang R., and Li Q. Physica B 390 (2007) 390
20. Li C., Wang B., Wang R., Wang H., and Lu X. Physica B 403 (2008) 539
21. Segall M.D., Lindan P.J.D., Probert M.J., Pickard C.J., Hasnip P.J., Clark S.J., and Payne M.C. J. Phys.: Condens. Matter 14 (2002) 2717
22. Hohenberg P., and Kohn W. Phys. Rev. B 136 (1964) 864
23. Kohn W., and Sham L.J. Phys. Rev. A 140 (1965) 113
24. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
25. Monkhorst H.J., and Pack J.D. Phys. Rev. B 13 (1976) 5188
26. Ceperly D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
27. Perdew J.P., and Zunger A. Phys. Rev. B 23 (1981) 5048
28. Milman V., Winkler B., and Probert M.I.J. J. Phys. Condens. Matter 17 (2005) 2233
29. Blonco M.A., Francisco E., and Luaña V. Comput. Phys. Commun. 158 (2004) 57
30. Blonco M.A., Pendás A.M., Francisco E., Recio J.M., and Franco R. J. Mol. Struct. Theochem. 368 (1996) 245
31. Flórez M., Recio J.M., Francisco E., Blonco M.A., and Pendás A.M. Phys. Rev. B 66 (2002) 144112
32. Francisco E., Recio J.M., Blonco M.A., and Pendás A.M. J. Phys. Chem. 102 (1998) 1595
33. Francisco E., Blonco M.A., and Sanjurjo G. Phys. Rev. B 63 (2001) 049107
34. Birch F. J. Geophys. Res. 83 (1978) 1257
35. Belaroussi T., et al. Physica B 403 (2008) 2649
36. Lu L.Y., Cheng Y., Chen X.R., and Zhu J. Physica B 370 (2005) 236
37. Chang J., Chen X.R., Zhang W., and Zhu J. Chin. Phys. B 17 (2008) 1377