Abstract
The work is devoted to the investigation of structural deformations and stabilities of pristine hollow silicon clusters at quasi-one-dimensional growth using the quantum-chemical tight-binding method. Consideration of the hexagonal clusters family of the layer number n = 2 – 5 allows structural properties to be defined as the function of cluster sizes. The individual hollow clusters with diameter less than 1 nm containing from 12 up to 24 atoms are shown to be stable. Strong structural changes occur at transition from the size of 24 to the size of 30. The cluster of size 24 corresponding to a regular hexagonal prism can be considered as a possible candidate for a structural unit of silicon nanowires. It has also been demonstrated that the elongated filled structures grow, provided that silicon atoms are introduced inside the hollow structures along the main cluster axis.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Morales AM, Lieber CM (1998) A laser ablation method for the synthesis of crystalline semiconductor nanowires. Science 279:208–211
Wu Y, Cui Y, Huynh L, Barrelet CJ, Bell DC, Lieber CM (2004) Nanowire transistor performance limits and applications. Nano Lett 4:433
Marsen B, Sattler K (1999) Fullerene-structured nanowires of silicon. Phys Rev B 60(16):11593–11600
Kaxiras E, Jackson K (1993) Shape of small silicon clusters. Phys Rev Lett 71:727
Li B-x, Cao P-l (2000) Stable structures for Si20 clusters. Phys Rev A 62:023201-1–023201-5
Kagimura R, Nunes RW, Chacham H (2005) Structures of Si and Ge nanowires in the subnanometer range. Phys Rev Lett 95:115502-1–115502-4
Grossman JC, Mitas L (1995) Family of low-energy elongated Sin (n = 50) clusters. Phys Rev B 52:16735
Lemes MR, Zacharias CR, Dal Pino A (1997) Generalized simulated annealing: application to silicon clusters. Phys Rev B 56:9279–9281
Khakimov ZM, Tereshchuk PL, Sulaymanov NT, Umarova FT, Swihart MT (2005) Nonconventional tight-binding method for the calculation of the total energy and spectroscopic energies of atomic clusters: transferable parameters for silicon. Phys Rev B 72:115335-1–115335-11
Raghavachari K, Rohlfing CM (1988) Bonding and stabilities of small silicon clusters: a theoretical study of Si7 – Si10. J Chem Phys 89:2219
Tereshchuk PL, Khakimov ZM, Umarova FT, Swihart MT (2007) Energetically competitive growth patterns of silicon clusters: quasi-one-dimensional clusters versus diamond-like clusters. Phys Rev B 76:125418-1–125418-9
Kuzubov AA, Cherkashin AV, Kljashtornyj VG, Vtjurin MA (2006) Theoretical investigation of silicon and metal-silicon clusters. Vestnik KrasGU, Estestvennie nauki 2, pp 84–90
Jarrold MF, Constant VA (1991) Silicon cluster ions: evidence for a structural transition. Phys Rev Lett 67:2994–2997
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2012 Springer Science+Business Media Dordrecht
About this paper
Cite this paper
Umarova, F.T., Tereshchuk, P.L., Normurodov, A.B. (2012). Quasi-One-Dimensional Silicon Clusters as Elements of Novel Nanowires. In: Shunin, Y., Kiv, A. (eds) Nanodevices and Nanomaterials for Ecological Security. NATO Science for Peace and Security Series B: Physics and Biophysics. Springer, Dordrecht. https://doi.org/10.1007/978-94-007-4119-5_13
Download citation
DOI: https://doi.org/10.1007/978-94-007-4119-5_13
Published:
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-007-4118-8
Online ISBN: 978-94-007-4119-5
eBook Packages: Physics and AstronomyPhysics and Astronomy (R0)