A theoretical study on the pressure-induced phase transitions in the inverse spinel structure Zn2SnO4

Journal of Physical Chemistry C

Volumn 115, Issue 15, 2011, Pages 7740-7746

  Gracia, L ^a   Beltran A ^a   Andres J ^a  

^a UNIVERSITAT JAUME I   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL FORMALISM; DENSITY OF STATE; EQUATION OF STATE; HIGH PRESSURE; INVERSE SPINEL STRUCTURES; IONIC DISPLACEMENT; MICROSCOPIC ANALYSIS; NONLOCAL; ORTHORHOMBIC PHASIS; PHASE RESPONSE; PHASE TRANSFORMATION; PRESSURE DEPENDENCE; PRESSURE-INDUCED PHASE TRANSITION; RELATIVE STABILITIES; THEORETICAL STUDY; TYPE STRUCTURES; UNIT CELLS; VIBRATIONAL FREQUENCIES; VIBRATIONAL PROPERTIES; ZNO AND SNO;

ELECTRONIC PROPERTIES; EQUATIONS OF STATE; FERRITES; LEAD OXIDE; PHASE DIAGRAMS; PHASE TRANSITIONS; ZINC; ZINC OXIDE;

ORGANIC POLYMERS;

EID: 79954624554     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2006606     Document Type: Article

References (46)

1. Coutts, T. J.; Young, D. L.; Li, X.; Mulligan, W. P.; Wu, X. J. Vac. Sci. Technol. A 2000, 18, 2646-2660
2. Young, D. L.; Moutinho, H.; Yan, Y.; Coutts, T. J. J. Appl. Phys. 2002, 92, 310-319
3. Zhu, H. L.; Yang, D. R.; Yu, G. X.; Zhang, H.; Jin, D. L.; Yao, K. H. J. Phys. Chem. B 2006, 110, 7631-7634
4. Enoki, H.; Nakayama, T.; Echigoya, J. Phys. Status Solidi A 1992, 129, 181-191
5. Fu, G.; Chen, H.; Chen, Z. X.; Zhang, J. X.; Kohler, H. Sens. Actuators, B 2002, 81, 308-312
6. Satoh, K.; Kakehi, Y.; Okamoto, A.; Murakami, S.; Uratani, F.; Yotsuya, T. Jpn. J. Appl. Phys., Part 2 2005, 44, L34-L37
7. Segev, D.; Wei, S. H. Phys. Rev. B 2005, 71, 125129
8. Gorrn, P.; Holzer, P.; Riedl, T.; Kowalsky, W.; Wang, J.; Weimann, T.; Hinze, P.; Kipp, S. Appl. Phys. Lett. 2007, 90, 063502
9. Ow-Yang, C. W.; Yeom, H. Y.; Paine, D. C. Thin Solid Films 2008, 516, 3105-3111
10. Zhu, X. J.; Geng, L. M.; Zhang, F. Q.; Liu, Y. X.; Cheng, L. B. J. Power Sources 2009, 189, 828-831
11. Dutta, S.; Dodabalapur, A. Sens. Actuators, B 2009, 143, 50-55
12. Sato, Y.; Kiyohara, J.; Hasegawa, A.; Hattori, T.; Ishida, M.; Hamada, N.; Oka, N.; Shigesato, Y. Thin Solid Films 2009, 518, 1304-1308
13. Belliard, F.; Connor, P. A.; Irvine, J. T. S. Solid State Ionics 2000, 135, 163-167
14. Tovar, L. L. G.; Connor, P. A.; Belliard, F.; Torres-Martinez, L. M.; Irvine, J. T. S. J. Power Sources 2001, 97-8, 258-261
15. Rong, A.; Gao, X. P.; Li, G. R.; Yan, T. Y.; Zhu, H. Y.; Qu, J. Q.; Song, D. Y. J. Phys. Chem. B 2006, 110, 14754-14760
16. Tan, B.; Toman, E.; Li, Y. G.; Wu, Y. Y. J. Am. Chem. Soc. 2007, 129, 4162-4163
17. Alpuche-Aviles, M. A.; Wu, Y. Y. J. Am. Chem. Soc. 2009, 131, 3216-3224
18. Hou, X. H.; Cheng, Q. A.; Bai, Y.; Zhang, W. F. Solid State Ionics 2010, 181, 631-634
19. Mor, G. K.; Shankar, K.; Paulose, M.; Varghese, O. K.; Grimes, C. A. Nano Lett. 2006, 6, 215-218
20. Green, M. A.; Emery, K.; Hishikawa, Y.; Warta, W. Prog. Photovoltaics 2008, 16, 435-440
21. Lana-Villarreal, T.; Boschloo, G.; Hagfeldt, A. J. Phys. Chem. C 2007, 111, 5549-5556
22. Huang, L.; Jiang, L.; Wei, M. Electrochem. Commun. 2010, 12, 319-322
23. Martin, R. M. Electronic Structure: Basic Theory and Practical Methods; Cambridge University Press: Cambridge, U.K., 2005.
24. Fei, Y. W.; Frost, D. J.; Mao, H. K.; Prewitt, C. T.; Hausermann, D. Am. Mineral. 1999, 84, 203-206
25. Haavik, C.; Stolen, S.; Fjellvag, H.; Hanfland, M.; Hausermann, D. Am. Mineral. 2000, 85, 514-523
26. Wang, Z. W.; Lazor, P.; Saxena, S. K.; Artioli, G. J. Solid State Chem. 2002, 165, 165-170
27. Wang, Z.; O'Neill, H. S. C.; Lazor, P.; Saxena, S. K. J. Phys. Chem. Solids 2002, 63, 2057-2061
28. Wang, Z. W.; Saxena, S. K.; Zha, C. S. Phys. Rev. B 2002, 66, 024103
29. Fiscus, J. E.; zur Loye, H. C. J. Alloys Compd. 2000, 306, 141-145
30. Dovesi, R.; Saunders, V. R.; Roetti, C.; Orlando, R.; Zicovich-Wilson, C. M.; Pascale, F.; Civalleri, B.; Doll, K.; Harrison, N. M.; Bush, I. J.; DArco, P.; Llunell, M., 2009.
31. Calatayud, M.; Andrés, J.; Beltrán, A. Surf. Sci. 1999, 430, 213-222
32. Gracia, L.; Beltrán, A.; Andrés, J. J. Phys. Chem. B 2007, 111, 6479-6485
33. Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652
34. Lee, C. T.; Yang, W. T.; Parr, R. G. Phys. Rev. B 1988, 37, 785-789
35. Hu, C.-H.; Chong, D. P. Encyclopedia of Computational Chemistry; Wiley: Chichester, U.K., 1998.
36. Muscat, J.; Wander, A.; Harrison, N. M. Chem. Phys. Lett. 2001, 342, 397-401
37. Gracia, L.; Beltrán, A.; Andrés, J. J. Phys. Chem. B 2006, 110, 23417
38. Birch, F. J. Geophys. Res. 1952, 57, 227-286
39. Beltrán, A.; Igualada, J. A.; Llusar, R.; Andrés, J. Int. J. Quantum Chem. 1995, 685-694
40. Decker, B. F.; Kasper, J. S. Acta Crystallogr. 1957, 10, 332-337
41. Gracia, L.; Beltrán, A.; Andrés, J.; Franco, R.; Recio, J. M. Phys. Rev. B 2002, 66, 224114
42. Nakayama, M.; Nogami, M.; Yoshida, M.; Katsumata, T.; Inaguma, Y. Adv. Mater. 2010, 22, 2579-2582
43. Shen, X.; Shen, J.; You, S. J.; Yang, L. X.; Tang, L. Y.; Li, Y. C.; Liu, J.; Yang, H.; Zhu, K.; Liu, Y. L.; Zhou, W. Y.; Jin, C. Q.; Yu, R. C.; Xie, S. S. J. Appl. Phys. 2009, 106
44. Errandonea, D.; Manjon, F. J. Mater. Res. Bull. 2009, 44, 807-811
45. Wang, Z. W.; Schiferl, D.; Zhao, Y. S.; ONeill, H. S. C. J. Phys. Chem. Solids 2003, 64, 2517-2523
46. Wei, S. H.; Zhang, S. B. Phys. Rev. B 2001, 63, 045112