First-principles based multiscale model of piezoelectric nanowires with surface effects

Journal of Applied Physics

Volumn 113, Issue 1, 2013, Pages

  Hoang, M T ^a   Yvonnet, J ^a   Mitrushchenkov, A ^a   Chambaud, G ^a  

^a Université Paris Est Créteil   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALN; BERRY PHASE; CONTINUUM MODEL; FINITE ELEMENT; FIRST-PRINCIPLES CALCULATION; HEXAGONAL WURTZITE; MULTISCALE MODELS; PIEZOELECTRIC COEFFICIENT; SURFACE EFFECT; ZNO;

CALCULATIONS; CONTINUUM MECHANICS; CRYSTALLOGRAPHY; GALLIUM NITRIDE; NANOWIRES; PIEZOELECTRICITY; ZINC OXIDE; ZINC SULFIDE;

SURFACES;

EID: 84872079233     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4773333     Document Type: Article

References (49)

1. Z. L. Wang, Appl. Phys. A 88, 7-15 (2007). 10.1007/s00339-007-3942-8
2. Z. L. Wang, X. Wang, J. Song, J. Liu, and Y. Gao, IEEE Comput. Soc. 7, 49-55 (2008). 10.1109/MPRV.2008.14
3. Z. L. Wang, Mater. Sci. Eng. R-Rep. 64, 33-71 (2009). 10.1016/j.mser.2009.02.001
4. J. Song, J. Zhou, and Z. L. Wang, Nano Lett. 6 (8), 1656-1662 (2006). 10.1021/nl060820v
5. X. Xu, A. Potié, R. Songmuang, J. Lee, B. Bercu, T. Baron, B. Salem, and L. Montes, Nanotechnology. 22 (10), 105704 (2011). 10.1088/0957-4484/22/10/105704
6. P. X. Gao, J. Song, J. Liu, and Z. L. Wang, Adv. Mater 19, 67-72 (2007). 10.1002/adma.200601162
7. J. A. Christman, R. R. Woolcott, A. I. Kingon, and R. J. Nemanicha, Appl. Phys. Lett. 73, 3851 (1998) 10.1063/1.122914.
8. M. Minary-Jolandan, R. A. Bernal, I. Kuljanishvili, V. Parpoil, and H. D. Espinosa, Nano Lett. 12 (2), 970-976 (2012). 10.1021/nl204043y
9. H. D. Espinosa, R. A. Bernal, and M. Minary-Jolandan, Adv. Mater. 24, 4656-4675 (2012). 10.1002/adma.201104810
10. R. Agrawal and H. D. Espinosa, Nano Lett. 11 (2), 786-790, (2011). 10.1021/nl104004d
11. Y. Qi and M. C. McAlpine, Energy Environ. Sci. 3, 1275-1285 (2010). 10.1039/c0ee00137f
12. C. Sun, J. Shi, and X. Wang, J. Appl. Phys 108, 034309 (2010). 10.1063/1.3462468
13. Z. L. Wang and J. Song, Science 312, 242 (2006). 10.1126/science.1124005
14. Y. Hu, Y. Zhang, C. Xu, L. Lin, R.L. Snyder, and Z. L. Wang, Nano Lett. 11 (6), 2572-2577 (2011). 10.1021/nl201505c
15. M. Alexe, S. Senz, M. A. Schubert, D. Hesse, and U. Gösele, Adv. Mater 20, 4021-4026 (2008). 10.1002/adma.200800272
16. Y. Gao and Z. L. Wang, Nano Lett. 7 (8), 2499-2505 (2007). 10.1021/nl071310j
17. M. Lee, J. Bae, J. Lee, C.-S. Lee, S. Hong, and Z. L. Wang, Energy Environ. Sci. 4, 3359-3363 (2011). 10.1039/c1ee01558c
18. Y. Li, J. Xiang, F. Qian, S. Gradecak, Y. Wu, H. Yan, D. A. Blom, and C. M. Lieber, Nano Lett. 6 (7), 1468-1473 (2006). 10.1021/nl060849z
19. M. Zhao, Y. Xia, X. Liu, Z. Tan, B. Huang, C. Song, and L. Mei, J. Phys. Chem. B 110, 8764-8768 (2006). 10.1021/jp056755f
20. M. Rosini and R. Magri, ACS Nano 4, 6021-31 (2010). 10.1021/nn1015488
21. H. J. Xiang, J. Yang, J. G. Hou, and Q. Zhu, Appl. Phys. Lett. 89 (22), 223111 (2006). 10.1063/1.2397013
22. M. Catti, Y. Noel, and R. Dovesi, Phys. Chem. Solids 64, 2183 (2003). 10.1016/S0022-3697(03)00219-1
23. N. A. Hill and U. Waghmare, Phys. Rev. B 62, 8802-8810 (2000). 10.1103/PhysRevB.62.8802
24. Y. Noel, M. Llunell, R. Orlando, P. Darco, and R. Dovesi, Phys. Rev. B 66, 214107 (2002). 10.1103/PhysRevB.66.214107
25. K. Shimada, T. Sota, and K. Suzuki, J. Appl. Phys. 84, 4951 (1998). 10.1063/1.368739
26. F. Bernardini, V. Fiorentini, and D. Vanderbilt, Phys. Rev. B. 56, R10024-R10027 (1997). 10.1103/PhysRevB.56.R10024
27. C. Li, X. Guo, and H. Gao, Appl. Phys. Lett. 90, 0033108 (2007). 10.1063/1.2430686
28. S. Dai, M. Gharbi, P. Sharma, and H. S. Park, J. Appl. Phys. 110, 104305 (2011). 10.1063/1.3660431
29. J. Yvonnet, A. Mitrushchenkov, G. Chambaud, and Q.-C. He, Comput. Methods Appl. Mech. Eng. 200, 614-645 (2011). 10.1016/j.cma.2010.09.007
30. J. Yvonnet, A. Mitrushchenkov, G. Chambaud, Q.-C. He, and S.-T. Gu, J. Appl. Phys. 111, 124305 (2012). 10.1063/1.4729545
31. A. Mitrushchenkov, G. Chambaud, J. Yvonnet, and Q.-C. He, Nanotechnology 21, 255702 (2010). 10.1088/0957-4484/21/25/255702
32. L. C. Lew Yan Voon and M. Willatzen, J. Appl. Phys. 109, 031101 (2011). 10.1063/1.3533402
33. R. D. King-Smith and D. Vanderbilt, Phys. Rev. B 47, 1651 (1993). 10.1103/PhysRevB.47.1651
34. D. Vanderbilt and R. D. King-Smith, Phys. Rev. B 48, 4442 (1993). 10.1103/PhysRevB.48.4442
35. D. Vanderbilt, J. Phys. Chem. Solids 61, 147-151 (2000). 10.1016/S0022-3697(99)00273-5
36. J. E. Jaffe, N. M. Harrison, and A. C. Hess, Phys. Rev. B 49, 11153 (1994). 10.1103/PhysRevB.49.11153
37. B. Montanari, B. Civalleri, C. M. Zicovich-Wilson, and R. Dovesi, Quantum. Chem. 106, 1703 (2006). 10.1002/qua.20938
38. R. Pandey, J. E. Jaffe, and N. M. Harrison, J. Phys. Chem. Solids 55, 1357 (1994). 10.1016/0022-3697(94)90221-6
39. R. Pandey, M. Causa, N. M. Harrison, and M. Seel, J. Phys.-Condens. Matter 8, 3993 (1996). 10.1088/0953-8984/8/22/004
40. A. Lichanot, M. Chaillet, C. Larrieu, R. Dovesi, and C. Pisani, Chem. Phys. 164, 383 (1992). 10.1016/0301-0104(92)87076-L
41. N. Nakamura, H. Ogi, and M. Hirao, J. Appl. Phys. 111, 013509 (2012) 10.1063/1.3674271
42. N. L. Marana, V. M. Longo, E. Longo, and J. B. L. Martins, J. Phys. Chem. A 112, 8958-8963 (2008). 10.1021/jp801718x
43. K. Yoshio, A. Onodera, H. Satoh, N. Sakagami, and H. Yamashita, Ferroelectrics 264, 133 (2001). 10.1080/00150190108008559
44. G. Carlotti, D. Fioretto, G. Socino, and E. Verona, J. Phys.: Condens. Matter 7, 9147 (1995). 10.1088/0953-8984/7/48/006
45. W.F. Perger, J. Criswell, B. Civalleri, and R. Dovesi, Comput. Phys. Commun. 180, 1753 (2009). 10.1016/j.cpc.2009.04.022
46. L. E. McNeil, M. Grimsditch, and R. H. French, J. Am. Ceram. Soc. 76, 1132 (1993). 10.1111/j.1151-2916.1993.tb03730.x
47. E. Ruiz, S. Alvarez, and P. Alemany, Phys. Rev. B 49, 7115 (1994). 10.1103/PhysRevB.49.7115
48. H. Iwanaga, A. Kunishige, and S. Takeuchi, J. Mater. Sci. 35, 2451 (2000). 10.1023/A:1004709500331
49. A. D. Bykhovski, B. L. Gelmont, and M. S. Shur, J. Appl. Phys. 81, 6332 (1997). 10.1063/1.364368