Temperature dependence of the local structure and lattice dynamics of wurtzite-type ZnO

Acta Materialia

Volumn 79, Issue , 2014, Pages 194-202

  Timoshenko, J ^a   Anspoks, A ^a   Kalinko, A ^b   Kuzmin, A ^a  

^a UNIVERSITY OF LATVIA   (Latvia)

^b SYNCHROTRON SOLEIL   (France)

Author keywords

Classical molecular dynamics simulations; EXAFS; Reverse Monte Carlo simulations; ZnO

Indexed keywords

ANISOTROPY; COMPUTER SIMULATION; CRYSTAL LATTICES; EXTENDED X RAY ABSORPTION FINE STRUCTURE SPECTROSCOPY; MOLECULAR DYNAMICS; ZINC; ZINC OXIDE; ZINC SULFIDE;

CLASSICAL MOLECULAR DYNAMICS; CRYSTALLOGRAPHIC STRUCTURE; EXAFS; EXTENDED X-RAY ABSORPTION FINE STRUCTURE SPECTRUM; INCREASING TEMPERATURES; MULTIPLE-SCATTERING THEORY; REVERSE MONTE CARLO SIMULATION; ZNO; LOCAL STRUCTURE; TEMPERATURE DEPENDENCE; WURTZITES;

MONTE CARLO METHODS;

EID: 84905829291     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2014.07.029     Document Type: Article

References (66)

1. L. Mino, G. Agostini, E. Borfecchia, D. Gianolio, A. Piovano, and E. Gallo et al. J Phys D Appl Phys 46 2013 423001
2. U. Özgür, Y.I. Alivov, C. Liu, A. Teke, and M.A. Reshchikov et al. J Appl Phys 98 2005 041301
3. M. Willander, O. Nur, Q.X. Zhao, L.L. Yang, M. Lorenz, and B.Q. Cao et al. Nanotechnology 20 2009 332001
4. A.I. Hochbaum, and P. Yang Chem Rev 110 2010 527
5. P.D.C. King, and T.D. Veal J Phys Condens Matter 23 2011 334214
6. S. Pearton, D. Norton, K. Ip, Y. Heo, and T. Steiner Prog Mater Sci 50 2005 293
7. S. Singh, P. Thiyagarajan, K. Mohan Kant, D. Anita, S. Thirupathiah, and N. Rama et al. J Phys D Appl Phys 40 2007 6312
8. A. Janotti, and C.G. Van de Walle Rep Prog Phys 72 2009 126501
9. S.C. Abrahams, and J.L. Bernstein Acta Crystallogr B 25 1969 1233
10. R.R. Reeber J Appl Phys 41 1970 5063
11. H. Karzel, W. Potzel, M. Köfferlein, W. Schiessl, M. Steiner, and U. Hiller et al. Phys Rev B 53 1996 11425
12. A. Dal Corso, M. Posternak, R. Resta, and A. Baldereschi Phys Rev B 50 1994 10715
13. Z.L. Wang, and J. Song Science 312 2006 242
14. Y. Yang, W. Guo, K.C. Pradel, G. Zhu, Y. Zhou, and Y. Zhang et al. Nano Lett 12 2012 2833
15. H. Schulz, and K. Thiemann Solid State Commun 32 1979 783
16. K. Kihara, and G. Donnay Can Mineral 23 1985 647
17. J. Albertsson, S. Abrahams, and Å Kvick Acta Crystallogr B 45 1989 34
18. A. Shalimov, W. Paszkowicz, K. Grasza, P. Skupiski, A. Mycielski, and J. Bak-Misiuk Phys Status Solidi B 244 2007 1573
19. J. Serrano, F.J. Manjón, A.H. Romero, A. Ivanov, M. Cardona, and R. Lauck et al. Phys Rev B 81 2010 174304
20. J.J. Rehr, and R.C. Albers Rev Mod Phys 72 2000 621
21. J. Yano, and V. Yachandra Photosynth Res 102 2009 241
22. V. Aksenov, M. Kovalchuk, A. Kuzmin, Y. Purans, and S. Tyutyunnikov Cryst Rep 51 2006 908
23. A. Filipponi, and A. Di Cicco Phys Rev B 52 1995 15135
24. A. Di Cicco, A. Trapananti, S. Faggioni, and A. Filipponi Phys Rev Lett 91 2003 135505
25. A. Di Cicco, and A. Trapananti J Phys Condens Matter 17 2005 S135
26. A. Yoshiasa, H. Maeda, T. Ishii, S. Emura, T. Moriga, and K. Koto Solid State Ionics 78 1995 31
27. T. Nedoseikina, A. Shuvaev, and V. Vlasenko J Phys Condens Matter 12 2000 2877
28. Q. Ma, J.T. Prater, C. Sudakar, R.A. Rosenberg, and J. Narayan J Phys Condens Matter 24 2012 306002
29. J. Haug, A. Chassé, M. Dubiel, C. Eisenschmidt, M. Khalid, and P. Esquinazi J Appl Phys 110 2011 063507
30. F. Decremps, F. Datchi, A. Saitta, A. Polian, S. Pascarelli, and A. Di Cicco et al. Phys Rev B 68 2003 104101
31. X.X. Wei, C. Song, K.W. Geng, F. Zeng, B. He, and F. Pan J Phys Condens Matter 18 2006 7471
32. Z.L. Lu, H.S. Hsu, Y. Tzeng, F.M. Zhang, Y.W. Du, and J.C.A. Huang Appl Phys Lett 95 2009 102501
33. L. Bin-Bin, S. Hong-Lie, Z. Rong, X. Xiang-Qiang, and X. Zhi Chin Phys Lett 24 2007 3473
34. G. Venkataiah, M.R. Huang, H. Su, C. Liu, and J. Huang J Phys Chem C 114 2010 16191
35. L. Mino, D. Gianolio, F. Bardelli, C. Prestipino, E.S. Kumar, and F. Bellarmine et al. J Phys Condens Matter 25 2013 385402
36. Q. Ma, D.B. Buchholz, and R.P.H. Chang Phys Rev B 78 2008 214429
37. P.S. Vachhani, G. Dalba, R.K. Ramamoorthy, F. Rocca, O. Šipr, and A.K. Bhatnagar J Phys Condens Matter 24 2012 506001
38. L. Tröger, T. Yokoyama, D. Arvanitis, T. Lederer, M. Tischer, and K. Baberschke Phys Rev B 49 1994 888
39. A. Kuzmin, and R. Evarestov J Phys Condens Matter 21 2009 055401
40. J. Timoshenko, A. Kuzmin, and J. Purans Comput Phys Commun 183 2012 1237
41. J. Timoshenko, A. Kuzmin, and J. Purans J Phys Condens Matter 26 2014 055401
42. A. Kulkarni, M. Zhou, and F. Ke Nanotechnology 16 2005 2749
43. A. Zaoui, and W. Sekkal Phys Rev B 66 2002 174106
44. G. Lewis, and C. Catlow J Phys C Solid State Phys 18 1985 1149
45. J. Timoshenko, A. Anspoks, A. Kalinko, and A. Kuzmin Phys Status Solidi C 2014 DOI: 10
46. K. Rickers, W. Drube, H. Schulte-Schrepping, E. Welter, U. Brüggmann, and M. Herrmann et al. AIP Conf Proc 882 2007 905
47. A. Kuzmin Physica B 208-209 1995 175
48. J.D. Gale Philos Mag B 73 1996 3
49. J.D. Gale, and A.L. Rohl Mol Simul 29 2003 291
50. R.W. Hockney Methods Comput Phys 9 1970 136
51. W.G. Hoover Phys Rev A 31 1985 1695
52. A. Ankudinov, B. Ravel, J. Rehr, and S. Conradson Phys Rev B 58 1998 7565
53. A.L. Goodwin, M.G. Tucker, E.R. Cope, M.T. Dove, and D.A. Keen Phys Rev B 72 2005 214304
54. A.L. Goodwin, M.G. Tucker, E.R. Cope, M.T. Dove, and D.A. Keen Physica B 385 2006 285
55. J.S. Chung, and M.F. Thorpe Phys Rev B 55 1997 1545
56. E.R. Cope, and M.T. Dove J Appl Crystallogr 40 2007 589
57. R. McGreevy, and L. Pusztai Mol Simul 1 1988 359
58. M. Muñoz, P. Argoul, and F. Farges Am Mineral 88 2003 694
59. J. Timoshenko, and A. Kuzmin Comput Phys Commun 180 2009 920
60. Q. Tao, V.I. Mang, and X. Yuesheng Wavelet analysis and applications 2007 Birkhäuser Verlag Basel
61. P. Fornasini J Phys Condens Matter 13 2001 7859
62. W.R. Busing, and H.A. Levy Acta Crystallogr 17 1964 142
63. E.H. Kisi, and M.M. Elcombe Acta Crystallogr C 45 1989 1867
64. S.L. Mair, and Z. Barnea Acta Crystallogr A 31 1975 201
65. E. Sevillano, H. Meuth, and J.J. Rehr Phys Rev B 20 1979 4908
66. S.W. Han, H.J. Yoo, S.J. An, J. Yoo, and G.C. Yi Appl Phys Lett 86 2005 021917