Elasticity and piezoelectricity of zinc oxide crystals, single layers, and possible single-walled nanotubes

Abstract

References (58)

Citing Articles

Download: PDF (243 kB) or Buy this Article (US$25) (Use Article Pack)

Z. C. Tu and X. Hu
Computational Materials Science Center, National Institute for Materials Science, Tsukuba 305-0047, Japan

Received 22 November 2005; revised 19 April 2006; published 28 July 2006

Theelasticity and piezoelectricity of zinc oxide (ZnO) crystals and singlelayers are investigated from the first-principles calculations. It is foundthat a ZnO thin film less than three Zn-O layersprefers a planar graphitelike structure to the wurtzite structure. ZnOsingle layers are much more flexible than graphite single layersin the elasticity and stronger than boron nitride single layersin the piezoelectricity. Single-walled ZnO nanotubes (SWZONTs) can exist inprinciple because of their negative binding energy. The piezoelectricity ofSWZONTs depends on their chirality. For most ZnO nanotubes exceptthe zigzag type, twists around the tube axis will induceaxial polarizations. A possible scheme is proposed to achieve theSWZONTs from the solid-vapor phase process with carbon nanotubes astemplates.

URL:	http://link.aps.org/doi/10.1103/PhysRevB.74.035434
DOI:	10.1103/PhysRevB.74.035434
PACS:	62.25.+g; 62.20.Dc; 77.65.-j 62.25.+g Mechanical properties of nanoscale materials 62.20.Dc Elasticity, elastic constants 77.65.-j Piezoelectricity and electromechanical effects YEAR: 2006
KEYWORDS:	elasticity, piezoelectricity, zinc compounds, nanotubes, II-VI semiconductors, wide band gap semiconductors, ab initio calculations, piezoelectric materials, binding energy

REFERENCES (58)

View in Separate Window/Tab

For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.

Ü. Özgür, Y. I. Alivov, C. Liu, A. Teke, M. A. Reshchikov, S. Doan, V. Avrutin, S. J. Cho, and H. Morkoç, J. Appl. Phys. 98, 041301 (2005).
M. Haupt, A. Ladenburger, R. Sauer, K. Thonke, R. Glass, W. Roos, J. P. Spatz, H. Rauscher, S. Riethmüller, and M. Möller, J. Appl. Phys. 93, 6252 (2003).
W. I. Park, D. H. Kim, S. W. Jung, and G. C. Yi, Appl. Phys. Lett. 80, 4232 (2002).
Y. J. Xing, Z. H. Xi, Z. Q. Xue, X. D. Zhang, J. H. Song, R. M. Wang, J. Xu, Y. Song, S. L. Zhang, and D. P. Yu, Appl. Phys. Lett. 83, 1689 (2003).
J. J. Wu, S. C. Liu, C. T. Wu, K. H. Chen, and L. C. Chen, Appl. Phys. Lett. 81, 1312 (2002).
X. Gonze, Phys. Rev. A 52, 1086 (1995);

52, 1096 (1995)

Phys. Rev. B 55, 10337 (1997)

ibid. 55, 10355 (1997)

S. Baroni, S. de Gironcoli, A. D. Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001).
D. R. Hamann, X. Wu, K. M. Rabe, and D. Vanderbilt, Phys. Rev. B 71, 035117 (2005).
H. Karzel, W. Potzel, M. Köfferlein, W. Schiessl, M. Steiner, U. Hiller, G. M. Kalvius, D. W. Mitchell, T. P. Das, P. Blaha, K. Schwarz, and M. P. Pasternak, Phys. Rev. B 53, 11425 (1996).
N. Troullier and J. L. Martins, Phys. Rev. B 43, 1993 (1991).
D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45, 566 (1980).
J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992).
X. Wu, D. Vanderbilt, and D. R. Hamann, Phys. Rev. B 72, 035105 (2005).
T. Azuhata, M. Takesada, T. Yagi, A. Shikanai, S. F. Chichibu, K. Torii, A. Nakamura, T. Sota, G. Cantwell, D. B. Eason, and C. W. Litton, J. Appl. Phys. 94, 968 (2003).
A. Wander, F. Schedin, P. Steadman, A. Norris, R. McGrath, T. S. Turner, G. Thornton, and N. M. Harrison, Phys. Rev. Lett. 86, 3811 (2001).
B. Meyer and D. Marx, Phys. Rev. B 67, 035403 (2003).
Y. Andersson, D. C. Langreth, and B. I. Lundqvist, Phys. Rev. Lett. 76, 102 (1996).
W. Kohn, Y. Meir, and D. E. Makarov, Phys. Rev. Lett. 80, 4153 (1998).
Z. C. Tu and Zhong-Can Ou-Yang, Phys. Rev. B 65, 233407 (2002).
N. Sai and E. J. Mele, Phys. Rev. B 68, 241405(R) (2003).
O. Y. Zhong-can, Z. B. Su, and C. L. Wang, Phys. Rev. Lett. 78, 4055 (1997).
H. Partridge, J. R. Stallcop, and E. Levin, J. Chem. Phys. 115, 6471 (2001).
Z. C. Tu and X. Hu, Phys. Rev. B 72, 033404 (2005).