Investigation of vibrational modes and phonon density of states in ZnO quantum dots

Journal of Physical Chemistry C

Volumn 116, Issue 12, 2012, Pages 6893-6901

  Raymand, David ^a   Jacobsson, T Jesper ^a   Hermansson, Kersti ^a,b   Edvinsson, Tomas ^a  

^a UPPSALA UNIVERSITY   (Sweden)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CONFINED PARTICLE; DYNAMIC THEORY; METAL OXIDES; MICROELECTRONIC APPLICATIONS; NONZERO TEMPERATURE; OPTICAL PHONONS; PHONON BANDS; PHONON BEHAVIORS; PHONON DENSITY OF STATE; PHONON MODE; PHONON PEAKS; RAMAN SPECTROSCOPIC; REACTIVE FORCE FIELD; SURFACE PHONON MODE; SURFACE VIBRATION; VIBRATION BEHAVIOR; VIBRATIONAL MODES; WURTZITE QUANTUM DOTS; ZINC ACETATE PRECURSOR; ZNO; ZNO QUANTUM DOTS;

METALLIC COMPOUNDS; MICROELECTRONICS; RAMAN SPECTROSCOPY; SEMICONDUCTOR QUANTUM DOTS; SURFACES; ZINC COMPOUNDS; ZINC OXIDE; ZINC SULFIDE;

PHONONS;

EID: 84859294949     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp300985k     Document Type: Article

References (51)

1. Wang, Z. L. J. Phys. Condens. Matter. 2004, 16, R829-858
2. Wöll, C. Prog. Surf. Sci. 2007, 82, 55-120
3. Klingshirn, C. Physica Status Solidi B. 2007, 244, 3027-3073
4. Boschloo, G.; Edvinsson, T.; Hagfeldt, A. Dye-sensitized nanostructured ZnO Electrodes for solar cell applications. Nanostructured Materials for Solar Energy Conversion; Soga, T., Ed.; Elsevier: Amsterdam, 2007, 227-254.
5. Tsukazaki, A.; Ohtomo, A.; Onuma, T.; Ohtani, M.; Makino, T.; Sumiya, M.; Ohtani, K.; Chichibu, S. F.; Fuke, S.; Segawa, Y. Nat. Mater. 2005, 4, 42-46
6. Shim, M.; Guyot-Sionnest, P. Nature 2000, 407, 981-983
7. Özgür, Ü.; Alivov, Y. I.; Liu, C.; Teke, A.; Reshchikov, M. A.; Doǧan, S.; Avrutin, V.; Cho, S.; Morkoç, H. J. Appl. Phys. 2005, 98, 041301-041301-103
8. Licari, J. J.; Evrard, R. Phys. Rev.B 1977, 15, 2254-2264
9. Stroscio, M. A.; Dutta, M. Phonons in nanostructures, Cambridge Univ. Press., UK, 2005.
10. Yang, C. C.; Li, S. J. Phys. Chem. B. 2008, 112, 14193-14197
11. Balaji, S.; Djaoued, Y.; Robichaud, J. J. Raman Spectrosc. 2006, 37, 1416-1422
12. Alim, K. A.; Fonoberov, V. A.; Shamsa, M.; Balandin, A. A. J. Appl. Phys. 2005, 97, 124313-124313-5
13. Alim, K. A.; Fonoberov, V. A.; Balandin, A.A.. Appl. Phys. Lett. 2005, 86, 053103-053103-3
14. Jacobsson, T. J.; Edvinsson, T. Inorg. Chem. 2011, 50, 9578-9586
15. Spanhel, L.; Anderson, M. A. J. Am. Chem. Soc. 1991, 113, 2826-2833
16. Meulenkamp, E. A. J. Phys. Chem. B. 1998, 102, 5566-5572
17. Gaussian 09, Revision A.02, Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A. Gaussian, Inc., Wallingford CT, 2009.
18. Tomasi, J.; Mennucci, B.; Cammi, R. Chem. Rev. 2005, 105, 2999-3093
19. Dovesi, R.; Orlando, R.; Civalleri, B.; Roetti, C.; Saunders, V. R.; Zicovich-Wilson, C. M. Z. Kristallogr. 2005, 220, 571-573
20. 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. CRYSTAL09 User's Manual. University of Torino: Torino, 2009.
21. Jaffe, J. E.; Hess, A. C. Phys. Rev. B 1993, 48, 7903-7909
22. Towler, M. D.; Allan, N. L.; Harrison, N. M.; Saunders, V. R.; Mackrodt, W. C.; Aprà, E. Phys. Rev. B, 199, 8) 5041-5054.
23. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B. 1976, 13, 5188-5192
24. van Duin, A. C. T.; Dasgupta, S.; Lorant, F.; Goddard, W. A., III J. Phys. Chem. A. 2001, 105, 9396-9409
25. Raymand, D.; van Duin, A. C. T.; Baudin, M.; Hermansson, K. Surf. Sci. 2008, 602, 1020-1031
26. Raymand, D.; van Duin, A. C. T.; Spångberg, D.; Goddard, W. A., III; Hermansson, K. Surf. Sci. 2010, 604, 741-752
27. Thompson, A. P. Grasp version 4.0, 2005.
28. Swope, W.; Andersen, H.; Berens, P.; Wilson, K. J. Chem. Phys. 1982, 76, 637-649
29. Nosé, S. Mol. Phys. 1984, 52, 255-268
30. Hoover, W. Phys. Rev. A 1985, 31, 1695-1697
31. Tuckerman, M.; Berne, B; Martyna, G. J. Chem. Phys. 1992, 97, 1990-2001
32. Hoover., W. Phys. Rev. A 1986, 34, 2499-2500
33. Arguello, C. A.; Rousseau, D. L.; Porto, S. P. S Phys. Rev. 1969, 181, 1351-1363
34. Bairamov, B. H.; Heinrich, A.; Irmer, G.; Toporov, V. V.; Ziegler, E. Phys. Stat. Sol. B 1983, 119, 227-234
35. Ashkenov, N.; Mbenkum, B. N.; Bundesmann, C.; Riede, V.; Lorenz, M.; Spemann, D.; Kaidashev, E. M.; Kasic, A.; Schubert, M.; Grundmann, M. J. Appl. Phys. 2003, 93, 126-133
36. Damen, T. C.; Porto, S. P. S; Tell, B. Phys. Rev. 1966, 142, 570-574
37. Hewat, A. W. Solid State Commun. 1970, 8, 187-189
38. Thoma, K.; Dorner, B.; Duesing, G.; Wegener, W. Solid State Commun. 1974, 15, 1111-1114
39. Serrano, J.; Romero, A. H.; Manjon, F. J.; Lauck, R.; Cardona, M.; Rubio, A. Phys. Rev.B. 2004, 69, 094306-094306-14
40. Bairamov, B. H.; Heinrich, A.; Irmer, G.; Toporov, V. V.; Ziegler, E. Phys. Status Solidi B 1983, 119, 227-234
41. Callender, R. H.; Sussman, S. S.; Selders, M.; Chang, R. K. Phys. Rev. B 1973, 8, 3788-3798
42. Serrano, J.;F.; Manjón, J.; Romero, A. H.; Ivanov, A.; Cardona, M.; Lauck, R.; Bosak, A.; Krisch, M. Phys. Rev. B 2010, 81, 174304-1-174304-6
43. Loudon, R. Proc. R. Soc. A 1963, 275, 218-232
44. Hamilton, D. C. Phys. Rev. 1969, 188, 1221-1224
45. Fonoberov, V. A.; Balandin, A. A. J. Nanoelectron. Optoelectron. 2006, 1, 19-38
46. Fonoberov, V. A.; Balandin, A. A. J. Phys: Condens. Matter 2005, 17, 1085-1097
47. Fonoberov, V. A.; Balandin, A. A. Phys. Rev. B 2004, 70, 233205-233205-4
48. Campbell, I. H.; Fauchet, P. M. Solid State Comunications. 1986, 58, 739-741
49. Rajalakshmi, M.; Arora, A. K.; Bendre, B. S.; Mahamuni, S. J. Appl. Phys. 2000, 87, 2445-2448
50. Cuscó, R.; Alarcón-Lladó, E.; Ibáñez, J.; Artús, L.; Jiménez, J.; Wang, B.; Callahan, M. J. Phys Rev B 2007, 75, 165202-165202-11
51. Humphrey, W.; Dalke, A.; Schulten, K. J. Molec. Graphics 1996, 14, 33-38