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Simulation of Cluster Sintering, Dipolar Chain Formation, and Ferroelectric Nanoparticulate Systems

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Nanoparticles from the Gasphase

Part of the book series: NanoScience and Technology ((NANO))

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Abstract

Magnetic and ferroelectric nanoparticles are subjects of increasing basic research for future technologies. In this work Fe and Ni clusters and near-ferroelectric TiO\(_2\) clusters have been chosen as representatives in order to discuss fundamental issues such as sintering of magnetic and near-ferroelectric clusters as well as configurations resulting from cluster agglomeration due to magnetic dipolar interactions.

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References

  1. B. Bhushan, Springer Handbook of Nanotechnology (Springer, Berlin, 2006)

    Google Scholar 

  2. A.S. Edelstein, R.C. Cammarata, Nanomaterials: Synthesis Properties and Applications (Institute of Physics, Bristol, 1996)

    Book  Google Scholar 

  3. C. Guet, P. Hobza, F. Spiegelmann, F. David, Atomic clusters and nanoparticles. Agregats atomiques et nanoparticules: Les Houches Session LXXIII 2–28 July 2000 (Les Houches - Ecole d’Ete de Physique Theorique), Vol. 73, (Springer, Berlin, 2001)

    Google Scholar 

  4. J. Knipping, H. Wiggers, B.F. Kock, T. Huelser, B. Rellinghaus, P. Roth, J. Nanotechnol. 15, 1665 (2004)

    Article  ADS  Google Scholar 

  5. V. Salgueiriño-Maceira, M.A. Correa-Duarte, A. Hucht, M. Farle, J. Magn. Magn. Mater. 303, 163 (2006)

    Article  ADS  Google Scholar 

  6. T. Huelser, H. Wiggers, P. Ifeacho, O. Dmitrieva, G. Dumpich, A. Lorke, J. Nanotechnol. 17, 3111 (2006)

    Article  ADS  Google Scholar 

  7. R. Ramesh, N.A. Spaldin, Nat. Mater. 6, 21–29 (2007)

    Article  ADS  Google Scholar 

  8. M.P. Allen, D.J. Tildesley, Computer Simulations of Liquids (Clarendon, Oxford, 1991)

    Google Scholar 

  9. R. Car, M. Parrinello, Phys. Rev. Lett. 55, 2471–2474 (1985)

    Article  ADS  Google Scholar 

  10. M.S. Daw, M.I. Baskes, Phys. Rev. B 29, 6443 (1984)

    Article  ADS  Google Scholar 

  11. M.S. Daw, M.I. Baskes, Phys. Rev. Lett. 50, 1285 (1983)

    Article  ADS  Google Scholar 

  12. F. Cleri, V. Rosatto, Phys. Rev. B 48, 22–33 (1993)

    Article  ADS  Google Scholar 

  13. W.G. Hoover, Phys. Rev. A 31, 1695–1697 (1985)

    Article  ADS  Google Scholar 

  14. H.C. Andersen, J. Chem. Phys. 72, 2384 (1980)

    Article  ADS  Google Scholar 

  15. S. Ogata, H. Iyetomi, K. Tsurutu, F. Shimojo, A. Nakano, R.K. Kalia, P. Vashishta, J. Appl. Phys. 88, 6011–6015 (2000)

    Article  ADS  Google Scholar 

  16. S. Ogata, H. Iyetomi, K. Tsurutu, F. Shimojo, R.K. Kalia, A. Nakano, P. Vashishta, J. Appl. Phys. 86, 3036–6041 (1999)

    Article  ADS  Google Scholar 

  17. A. Hucht, S. Buschmann, P. Entel, Europhys. Lett. 77, 57003 (2007)

    Article  ADS  Google Scholar 

  18. I.M.L. Billas, J.A. Becker, A. Châtelain, W.A. de Heer, Phys. Rev. Lett. 71, 4067 (1993)

    Article  ADS  Google Scholar 

  19. P. Pawlow, Z. Phys, Chem. 65, 1 (1909)

    Google Scholar 

  20. P.V. Hendriksen, S. Linderoth, P.-A. Lindgard, Phys. Rev. B 48, 7259 (1993)

    Article  ADS  Google Scholar 

  21. J.D. Honeycutt, H.C. Andersen, J. Phys. Chem. 91, 4950 (1987)

    Article  Google Scholar 

  22. R. Barrett, M. Berry, T.F. Chan, J. Demmel, J. Donato, J. Dongarra, V. Eijkhout, R. Pozo, C. Romine, H. Van der Vorst, Templates for the Solution of Linear Systems: Building Blocks for Iterative Methods, 2nd edn. (SIAM, Philadelphia, 1994)

    Book  Google Scholar 

  23. N. Combe, P. Jensen, A. Pimpinelli, Phys. Rev. Lett. 85, 110–113 (1985)

    Article  ADS  Google Scholar 

  24. G. Rollmann, M.E. Gruner, A. Hucht, R. Meyer, P. Entel, M. Tiago, J.R. Chelikowsky, Phys. Rev. Lett. 99, 083402 (2007)

    Article  ADS  Google Scholar 

  25. K. Kadau, T.C. Germann, P.S. Lomdahl, B.L. Holian, Science 296, 1681–1684 (2002)

    Article  ADS  Google Scholar 

  26. S. Hendy, S.A. Brown, M. Hyslop, Phys. Rev. B 68, 241403 (2003)

    Google Scholar 

  27. C. Lee, P. Ghosez, X. Gonze, Phys. Rev. B 50, 13379–13387 (1994)

    Article  ADS  Google Scholar 

  28. J.G. Traylor, H.G. Smith, R.M. Nicklow, M.K. Wilkinson, Phys. Rev. B 3, 3457 (1971)

    Article  ADS  Google Scholar 

  29. B. Montanari, N.M. Harrison, J. Phys. Condens. Matter. 16, 273 (2004)

    Article  ADS  Google Scholar 

  30. A. Grünebohm, C. Ederer, P. Entel, First-principles investigation of incipient ferroelectric trends of rutile TiO\(_2\) in bulk and at the (110) surface, submitted to Phys. Rev. B (2012)

    Google Scholar 

  31. G. Li, J. Boerio-Goates, B.F. Woodfield, L. Li, Appl. Phys. Lett. 85, 2059 (2004)

    Article  ADS  Google Scholar 

  32. G. Kresse, D. Joubert, Phys. Rev. B 59, 1758 (1999)

    Article  ADS  Google Scholar 

  33. P. Reinhardt, B.A. Heß, Phys. Rev. B 50, 12015 (1994)

    Article  ADS  Google Scholar 

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Acknowledgments

We thank M. Fendrich who prepared the start configuration for the sinter simulations of Ni nanoparticles, and S. Buschmann who worked on the dipolar nanoparticles. Computation time was granted by the John-von-Neumann Institute of Computing.

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Correspondence to Anna Grünebohm .

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Grünebohm, A., Hucht, A., Meyer, R., Comtesse, D., Entel, P. (2012). Simulation of Cluster Sintering, Dipolar Chain Formation, and Ferroelectric Nanoparticulate Systems. In: Lorke, A., Winterer, M., Schmechel, R., Schulz, C. (eds) Nanoparticles from the Gasphase. NanoScience and Technology. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-28546-2_6

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