不同过渡金属原子掺杂硅团簇效应的研究
Investigation on the Effect of Different Transition Metals Doped Silicon Clusters
DOI: 10.12677/APP.2018.89053, PDF,    国家自然科学基金支持
作者: 薛 美*, 张东升, 赵昕, 李秀珍:泰山医学院,山东 泰安
关键词: 硅团簇过渡金属效应Silicon Cluster Transition Metal Effect
摘要: 持续的微电子技术小型化的趋势引发了对纳米结构构建的追求,硅基团簇的性质因其在应用科学和基础科学中的重要性而备受关注。掺入金属原子或氢化可以使悬空键饱和并诱导笼状硅簇的形成。不同的过渡金属掺杂使硅团簇具有了不同的效应。为了寻找能够比较稳定地存在于半导体材料的过渡金属元素,本文详细介绍和比较了不同的过渡金属掺杂对主硅团簇的影响,包括磁效应、稳定结构效应、电子结构效应。
Abstract: The trend toward continued miniaturization of microelectronics has led to the pursuit of nanostructure construction, and the nature of silicon clusters has received much attention for its importance in applied science and basic science. The incorporation of metal atoms or hydrogenation can saturate the dangling bonds and induce the formation of caged silicon clusters. Different transition metal doping causes the silicon clusters to have different effects. This paper describes in detail the effects of different transition metal doping on the main silicon clusters, including magnetic effects, stable structural effects, and electronic structure effects.
文章引用:薛美, 张东升, 赵昕, 李秀珍. 不同过渡金属原子掺杂硅团簇效应的研究[J]. 应用物理, 2018, 8(9): 421-425. https://doi.org/10.12677/APP.2018.89053

参考文献

[1] Muskat, J., Wander, A. and Harrison, N.M. (2001) On the Prediction of Band Gaps from Hybrid Functional Theory. Chemical Physics Letters, 342, 397-401. [Google Scholar] [CrossRef
[2] Martin, R.M. (2004) Electronic Structure: Basic Theory and Practical Methods. Cambridge University Press, Cambridge, 9-10. [Google Scholar] [CrossRef
[3] Adamo, C. and Barone, V. (1998) Exchange Functionals with Improved Long-Range Behavior and Adiabatic Connection Methods without Adjustable Parameters: The mPW and mPW1PW Models. Journal of Chemical Physics, 108, 664-675. [Google Scholar] [CrossRef
[4] Oku, T., Nishiwaki, A., Narita, I., et al. (2003) Formation and Structure of B24N24 Clusters. Chemical Physics Letters, 380, 620-623. [Google Scholar] [CrossRef
[5] Granqvist, C.G. and Buhrman, R.A. (1976) Ultrafine Metal Particles. Journal of Applied Physics, 47, 2200-2219. [Google Scholar] [CrossRef
[6] Devienne, F.M., Combarieu, R. and Teisseire, M. (1981) Action of Different Gases, Spe-cially Nitrogen, on the Formation of Uranium Clusters; Comparison with Niobium and Tantalum Clusters. Surface Science, 106, 204-211. [Google Scholar] [CrossRef
[7] Boustani, I., Quandt, A., Hernandez, E., et al. (1999) New Boron Based Nanostructured Materials. The Journal of Chemical Physics, 110, 3176-3185. [Google Scholar] [CrossRef
[8] Khanna, S.N. and Linderoth, S. (1991) Magnetic Behavior of Clusters of Ferromagnetic Transition Metals. Physical Review Letters, 67,742-745. [Google Scholar] [CrossRef
[9] Cox, D.M., Trevor, D.J., Whetten, R.L., Rohlfing, E.A. and Kaldor, A. (1985) Magnetic Behavior of Free-Iron and Iron Oxide Clusters. Physical Review B, 32, 7290-7298. [Google Scholar] [CrossRef
[10] Douglass, D.C., Cox, A.J., Bucher, J.P. and Bloomfield, L.A. (1993) Magnetic Properties of Free Cobalt and Gadolinium Clusters. Physical Review B, 47, 12874-12889. [Google Scholar] [CrossRef
[11] Boustani, I. (1995) Structure and Stability of Small Boron Clusters. A Density Functional Theoretical Study. Chemical Physics Letters, 240, 135-140. [Google Scholar] [CrossRef
[12] Boustani, I. (1997) Systematic ab Initio Investigation of Bare Boron Clusters: Determination of the Geometry and Electronic Structures of Bn (n = 2 - 14). Physical Review B, 55, 16426-16438. [Google Scholar] [CrossRef
[13] Kant, A. and Strauss, B. (1964) Dissociation Energies of Diatomic Molecules of the Transition Elements. Ⅱ. Titanium, Chromium, Manganese, and Cobalt. The Journal of Chemical Physics, 41, 3806-3808. [Google Scholar] [CrossRef
[14] Deshpande, M., Kanhere, D.G. and Pandey, R. (2005) Structures, Energetics, and Mag-netic Properties of NinB Clusters with n = 1 - 8, 12. Physical Review A, 71, 63202. [Google Scholar] [CrossRef
[15] Feng, X.J. and Luo, Y.H. (2007) Structure and Stability of Al-Doped Boron Clusters by the Density-Functional Theory. Journal of Physical Chemistry A, 111, 2420-2425. [Google Scholar] [CrossRef] [PubMed]
[16] Lv, J., Zhang, F.Q., Jia, J.F., et al. (2010) First-Principles Study of Structural, Electronic and Magnetic Properties of Co13−nMn(n = 1, 2, M = Mn, V and Al) Clusters. Journal of Molecular Structure: THEOCHEM, 955, 14-22. [Google Scholar] [CrossRef
[17] Wang, M., Huang, X., Du, Z., et al. (2009) Structural, Electronic, and Magnetic Properties of a Series of Aluminum Clusters Doped with Various Transition Metals. Chemical Physics Letters, 480, 258-264. [Google Scholar] [CrossRef
[18] Zhao, J.J., Han, M. and Wang, G.H. (1993) Ionization Potentials of Transi-tion-Metal Clusters. Physical Review B, 48, 15297-15300. [Google Scholar] [CrossRef
[19] Li, Q., Gong, L. and Gao, Z. (2004) Structures and Stabilities of B7, B7+ and B7− Clusters. Chemical Physics Letters, 390, 220-227. [Google Scholar] [CrossRef
[20] Rohlfing, E.A., Cox, D.M. and Kaldor, A.(1984)Photoionization of Isolated Nickel Atom Clusters. The Journal of Physical Chemistry, 88, 4497-4502.[CrossRef
[21] Zhai, H.J., Wang, L.S., Alexandrova, A.N., et al. (2003) Photoelectron Spectroscopy and ab Initio Study of B3− and B4− Anions and Their Neu-trals. Journal of Physical Chemistry A, 107, 9319-9328. [Google Scholar] [CrossRef
[22] Lau, K.C., Deshpande, M. and Pandey, R. (2005) A Theoretical Study of Vibrational Properties of Neutral and Cationic B12 Clusters. International Journal of Quantum Chemistry, 102, 656-664. [Google Scholar] [CrossRef