An Empirical Interatomic Potential Approach to Structural Stability of ZnS and ZnSe Nanowires
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概要
- 論文の詳細を見る
Structural trends in ZnS and ZnSe nanowires are systematically investigated on the basis of our empirical potential, which incorporates electrostatic energy due to valence-bond and ionic charges. The calculated nanowire cohesive energies for zinc blende, 6H, 4H, and wurtzite structures demonstrate that the stability of crystal structure depends on nanowire diameter. Monte-Carlo calculations to determine the nanowire stacking sequence during nanowire growth also show that nanowires often contain rotational twins, the averaged periodicity of which is almost proportional to nanowire diameter. The periodicity of rotational twins in the nucleation model in which the nucleus consists of facet atoms at the top layer of a nanowire agrees with the observation of rotational twins. The results suggest that our approach is feasible to clarifying structural trends in Zn-based semiconductors nanowires.
- Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
- 2007-04-15
著者
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Akiyama Toru
Department Of Orthopaedic Surgery Faculty Of Medicine The University Of Tokyo
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Nakamura Kohji
Department Of Dermatology Hiroshima University School Of Medicine
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Ito Tomonori
Department Of Chemical And Biochemical Engineering Faculty Of Engineering Toyama University
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Sano Kosuke
Department Of Physics Engineering Mie University
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Sano Kosuke
Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan
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Nakamura Kohji
Department of Physics Engineering, Mie University, 1577 Kurima-Machiya, Tsu 514-8507, Japan
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SANO Kosuke
Department of Global Agricultural Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo
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