Navegar

Colección

Datos Estadísticas

Artículo

Estamos trabajando para incorporar este artículo al repositorio
Consulte la política de Acceso Abierto del editor

Abstract:

Silicon is one of the most important semi conducting materials employed in microelectronic technologies. This chapter is dedicated to review the enormous effort made during the last years to develop confident methods to determinate the geometries and related properties of silicon clusters. Searching employing full global optimization of the energy surface, using techniques like Molecular Dynamics (MD), algorithms, and local optimization of structures built onto generic structural motifs are reported. Hybrid methodologies combining tight-binding (TB) with global optimization methods also contribute to the state of the art in the prediction of the structures, and calculation of properties of silicon clusters, based on all-electron DFT methods are also included. © 2007 IOS Press and the authors.

Registro:

Documento: Artículo
Título:Prediction of structures and related properties of silicon clusters
Autor:Ferraro, M.B.
Filiación:Departamento de Fisica juan Jose Giambiagi, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Buenos Aires, Argentina
Palabras clave:Global optimization; Microelectronics; Molecular dynamics; Silicon; Structures (built objects); Conducting materials; Generic structural motif; Global optimization method; Hybrid methodologies; Local optimizations; Microelectronic technologies; Silicon clusters; State of the art; Structural optimization
Año:2007
Volumen:7
Número:3-4
Página de inicio:195
Página de fin:217
Título revista:Journal of Computational Methods in Sciences and Engineering
Título revista abreviado:J. Comput. Methods Sci. Eng.
ISSN:14727978
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14727978_v7_n3-4_p195_Ferraro

Referencias:

  • Landman, U., Barnett, R.N., Scherbakov, A.G., Avouris, P., (2000) Phys Rev Lett, 85, p. 1958
  • Hirschman, K.D., Tsybeskov, L., Duttagupta, S.P., Fauchet, P.M., (1996) Nature (London, 384, p. 338
  • Lin, S.Y., Fleming, J.G., Hetherington, D.L., Smith, B.K., Biswas, R., Ho, K.M., Sigalas, M.M., Bur, J., (1998) Nature (London, 394, p. 251
  • Ho, K.M., Shavartsburg, A.A., Pan, B., Lu, Z.-Y., Wang, C.Z., Wacker, J.G., Fye, J.L., Jarrold, M.F., (1998) Nature London, 392, p. 582
  • Shavrstburg, A.A., (2001) Chem Soc Rev, 30, p. 26
  • Liu, B., Lu, Z.Y., Pan, B., Ang, C.Z.W., Ho, K.M., Shavartsburg, A.A., Arrold, M.F.J., (1998) J Chem Phys, 109, p. 9401
  • Bachels, T., Schäfer, R., (2000) Chem Phys Lett, 324, p. 365
  • Sun, Q., Wang, Q., Jena, P., Warterman, S., Kawazoe, Y., (2003) Phys Rev A, 67, p. 063201
  • Menon, M., Subbaswamy, K.R., (1994) Chem Phys Lett, 219, p. 219
  • Jarrold, E.C.H.M.F., (1991) J Phys Chem, 95, p. 9181
  • Hudgins, M.I.R., Jarrold, M.F., (1999) J Chem Phys, 111, p. 7865
  • http://www-wales.ch.cam.ac.uk/CCD.html, Cambridge database; Keilson, J., (1979) Markov Chain Models-rariry and Exponentiality, , Springer Berlin
  • Becker, S., Schlecht, J.A., Schäfer, R., Woenckhaus, J., Hensel, F., (1996) Mater Sci Eng A, 1, pp. 217-218
  • Becker, J.A., (1997) Angew Chem Int, 1390
  • De Heer, W.A., (1993) Rev Mod Phys, 65, p. 611
  • Brack, M., (1993) Rev Mod Phys, 65, p. 677
  • Schäfer, R., Schletcht, J., Woenckhaus, J., Becker, J.A., (1996) Phys Rev Lett, 76, p. 471
  • Wang, J., Yang, M., Wang, G., Zhan, J., (2003) Chem Phys Lett, 367, p. 448
  • Pouchan, D.B.C., Zhang, D., (2004) J Chem Phys, 121, p. 4628
  • Jackson, K.A., Yang, M., Chaudhuri, I., Frauenheim, T., (2005) Phys Rev A, 71, p. 033205
  • Vasiliev, I., Ouguüt, S., Chelikowsky, J., (1997) Phys Rev Lett, 78, p. 4805
  • Jackson, K., Pederson, M.R., (1997) Phys Rev B, 55, p. 2549
  • Deng, K., Yang, J., Chan, T., (2000) Phys Rev A, 61, p. 25201
  • Sieck, A., Porezag, D., Frauenheim, Th., Pederson, M.R., Jackson, K., (1997) Phys Rev A, 56, p. 4890
  • Kitsopoulos, T.N., Chick, C.J., Weaver, A., Neumark, D.M., (1990) J Chem Phys, 93, p. 6108
  • Arnold, C.C., Newmark, D.D., (1993) J Chem Phys, 99, p. 3353
  • Balasubramanian, K., (1986) Chem Phys Letters, 125, p. 400
  • Raghavachari, K., Curtiss, L.A., (1995), pp. 173-207. , Kluwer, Dordrecht, S.R. Langoff, ed; Li, S., Van Zee, R.J., Weltner, W., Jr., (1994) J Chem Phys, 100, p. 7079
  • Li, S., Van Zee, R.J., Weltner, Jr.W., Raghavachari, K., (1995) Chem Phys Letters, 243, p. 275
  • Zdetsis, A., (2001) Phys Rev A, 64, p. 023202
  • Honea, E., Ogura, A., Murray, C., Raghavachari, K., Sprenger, W., Jarrold, M., Brown, W., (1993) Nature, 366, p. 42
  • Raghavachari, K., (1986) J Chem Phys, 84, p. 5672
  • Becke, A.D., (1993) J Chem Phys, 98, p. 5648
  • Lee, C., Yang, W., Parr, R.G., (1988) Physical Review B, 37, p. 785
  • Deaven, M., Ho, K.M., (1995) Phys Rev Lett, 75, p. 288
  • Yoo, S., Zeng, X.C., (2005) J Chem Phys, 123, p. 164303
  • Yoo, S., Zeng, X.C., (2005) Agnew Chem Inst, 44, p. 1491
  • Perdew, J.P., (1986) Phys Rev B, 33, p. 8822
  • Becke, A.D., (1988) Phys.Rev A, 38, p. 3098
  • Perdew, J.P., Burke, K., Wang, Y., (1996) Phys Rev B, 54, p. 16533
  • Perdew, J.P., Burke, K., Ernzerhof, M., (1997) Phys Rev Lett, 78, p. 1396
  • Jackson, K.A., Horioi, M., Chaudhuri, I., Frauenheim, T., Shvartsburg, A.A., (2004) Phys Rev Lett, 93, p. 13401
  • Liu, A.C., Nocedal, J., (1989) Math Prog, 45, p. 403
  • Porezag, D., Frauenheim, Th., Köhler, Th., Seifert, G., Kaschner, R., (1995) Phys Rev B, 12, p. 947
  • Perdew, J.P., Burke, K., Ernzerhof, M., (1996) Phys Rev Lett, 77, p. 3865
  • Guliamov, O., Kronik, L., Jackson, K.A., (2005) J Chem Phys, 123, p. 204312
  • Hoffmann, M.A., Wrigge, G., Issendorff, B.V., Müller, J., Ganteför, G., Haberland, H., (2001) Eur Pys J D, 16, p. 9
  • Jackson, K.A., Horoi, M., Chaudhuri, I., Frauenheim, T., Shvartsburg, A.A., (2006) Comp Mater Sci, 35, p. 232
  • Chelikowsky, J.R., Kronik, L., Vasiliev, I., Jain, M., Saad, Y., (2003) Handbook of Numerical Analysis, 10, pp. 613-637. , C.L. Bris, ed. Elsevier, Amsterdam
  • Idrobo, J.C., Jackson, K.A., Ögut, S., (2006) Phys Rev B, 74, p. 153410
  • Jackson, K.A., Horoi, M., Chaudhuri, I., Frauenheim, T., Shvartsburg, A.A., (2004) Phys Rev Lett, 93, p. 013401
  • Jackson, K.A., Horoii. Chaudhuri, M., Frauenheim, T., Shvartsburg, A.A., (2006) Comp Mater Sci, 35, p. 013401. , 232 Phys Rev Lett 93
  • Rinnen, K.D., Mandich, M.L., (1992) Phys Rev Lett, 69, p. 1823
  • Jarrold, M.F., Bower, J.E., (1992) J Chem Phys, 96, p. 9180
  • Collins, P.G., Grossman, J.C., Ct, M., Ishigami, M., Piskoti, C., Louie, S.G., Cohen, M.L., Zettl, A., (1999) Phys Rev Lett, 82, p. 165
  • Perdew, J.P., Chevary, J.A., Jackson, K.A., Voksko, S.H., Pedersen, M.R., Singh, D.J., Fiolhais, C., (1992) Phys Rev B, 46, p. 6671
  • Kresse, G., Joubert, D., (1999) Phys Rev B, 59, p. 1758
  • Wang, J., Zhou, X., Wang, G., Zhao, J., (2005) Phys Rev B, 71, p. 113412
  • Menon, M., Subbaswamy, K.R., (1994) Phys Rev B, 50, p. 11577
  • Bazterra, V.E., Ferraro, M.B., Facelli, J.C., (2002) J Chem Phys, 116 (14), p. 5984
  • Yoo, S., Zhou, X., Zhu, X., Bai, J., (2003) J Am Chem Phys, 125, p. 13318
  • Wales, D.J., Scheraga, H.A., (1999) Science, 285, p. 1368
  • Yoo, S., Zhou, X., (2003) J Chem Phys, 119, p. 1442
  • Fuke, K.T.K., Misaizu, F., Sanekata, M., (1993) J Chem Phys, 99, p. 7807
  • Bazterra, V., Ferraro, M.B., Facelli, J.C., (2002) J Chem Phys, 116, p. 5984
  • Bazterra, V., Ferraro, M.B., Facelli, J.C., (2002) J Chem Phys, 116, p. 5992
  • Bazterra, V.E., Caputo, M.C., Ferraro, M.B., Fuentealba, P., (2002) J Chem Phys, 117 (24), p. 11158
  • Li, B., Cao, P., (2005) Phys Rev B, 256, p. 235311
  • Cullis, A.G., Canham, L.T., (1991) Nature, 353, p. 335
  • Schäfer, R., Schäfer Schletcht, S., Woenckhaus, J., Becke, J., (1996) Phys Rev Lett, 76, p. 471
  • Bazterra, V.E., Ona, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P., Facelli, J.C., (2004) Phys Rev A, 69, p. 53202
  • Ahlswede, B., Jug, K., (1999) J Comp Chem, 20, p. 563
  • Bredow, T., Geudtner, G., Jug, K., (2001) J Comp Chem, 22, p. 861
  • Whitley, D., (1988) The Rocky Mountain Conference on Artificial Intelligence, , Presented at Denver, Colorado (unpublished)
  • Whitley, D., (1989) The Third International Conference on Genetic Algorithms, , presented at San Mateo, California (unpublished)
  • Syswerda, G., (1989) The Third International Conference on Genetic Algorithms, , presented at San Mateo, California (unpublished)
  • Bazterra, V.E., Cuma, M., Ferraro, M.B., Facelli, J.C., (2005) J of Parallel and Distrib Comput, 65, p. 48
  • Hay, P.J., Wadt, W.R., (1985) J Chem Phys, 82, p. 270
  • Vosko, L.W.S.H., Nusair, M., (1980) Can J Phys, 58, p. 1200
  • Ona, O., Bazterra, V.E., Caputo, M., Fuentealba, P., Facelli, J., Ferraro, M.B., (2006) Phys. Rev A, 73, p. 053203
  • Sun, Q., Wang, Q., Jena, P., Warterman, S., Kawazoe, Y., (2003) Phys Rev Lett, 90, p. 135503
  • Jackson, K., Pederson, M.R., Porezag, D., Hajnal, Z., Frauenheim, T., (1997) Phys Rev B, 55, p. 2549
  • Jackson, K.A., Yang, M., Chaudhuri, I., Phys, F.T., (2005) Rev A, 71, p. 033205
  • Azterra, V.E.B., Caputo, M.C., Facelli, J.C., Fuentealba, P., Ferraro, M.B., (2006) Phys Rev A, 73, p. 53203
  • Yoo, S., Zhao, J., Wang, J., Zeng, X.C., (2004) J Am Chem Phys, 126, p. 13845
  • Deaven, M., Ho, K.M., (1995) Phys Rev Lett, 75, p. 288
  • Zhao, J.J., Xie, R.H., (2004) J Compt Theoret Nanosci, 1, p. 117
  • Parrinello, M., Hutter, J., Marx, D., Focher, P., Tuckermanw. Andreoni, M., Curioni, A., Fois, E., Billeter, S., (1993) Car-Parinello Molecular Dynamics CPMD Is Copyrighted by IBM Corp and MPI Stuttgart
  • Li Ma, J.Z., Wang, J., Wang, B., Wang, G., (2006) Phys Rev A, 73, p. 063203
  • Segall, M.D., Lindan, P.J.D., Probert, M.J., Pickard, C.J., Hasnip, P.J., Clark, S.J., Payne, M.C., (2002) J Phys Condensed Matter, 14, p. 2717
  • Delley, B., (1990) J Chem Phys, 92, p. 508
  • Menon, M., Subbaswamy, K.R., (1997) Phys Rev B, 55, p. 9231
  • Sieck, A., Porezag, D., Frauenheim, T., Pederson, M.R., Jackson, K., (1997) Phys Rev A, 56 (6), p. 4890
  • Pederson, M.R., Jackson, K., Porezag, D., Hajnal, D., Frauenheim, T., (1996) Phys Rev B, 54, p. 2863
  • Deng, K., Yang, J., Yuan, L., Zhu, Q., (2000) Phys Rev A, 62, p. 045201
  • Röthlisberger, U., Andreoni, W., Giannozzi, P., (1992) J Chem Phys, 96, p. 1248
  • Liu, B., Lu, Z.Y., Pan, B., Wang, C.Z., Ho, K.M., Shvartsburg, A.A., Jarrold, M.F., (1998) J Chem Phys, 109, p. 9401
  • Khakimov, Z.M., Tereshchuk, P.L., Sulaymanov, N.T., Umarova, F.T., Swihart, M.T., (2005) Phys Rev B, 72, p. 115335
  • Yoo, S., Shao, N., Koehler, C., Frauunham, T., Zeng, X.C., (2006) J Chem Phys, 124, p. 164311
  • Bai, J., Cui, L., Wang, J., Yoo, S., Li, X., Jellimek, J., Koehler, C., Zeng, X.C., (2006) J Phys Chem A, 110, p. 908
  • Elkind, J.L., Alford, J.M., Weiss, F.D., Laaksonen, R.T., Smalley, R.E., (1987) J Chem Phys, 87, p. 2397
  • Zhang, Q.L., Liu, Y., Curl, R.F., Tittel, F.K., Smalley, R.E., (1988) J Chem Phys, 88, p. 1670
  • Arnold, C.C., Newmark, D.D., (1993) J Chem Phys, 99, p. 3353
  • Zhou, A.B.C.P.R.L., (2006) Phys Rev B, 73, p. 045417
  • Wang, C.Z., Pan, B.C., Ho, K.M., (1999) J Phys Condens Matter, 11, p. 2043
  • Sánchez-Portal, D., Ordejón, P., Artacho, E., Soler, J.M., (1997) Int J Quantum Chem, 65, p. 453
  • Troullier, N., Martins, J.L., (1991) Phys Rev B, 43, p. 1993
  • Jarrold, M.F., (1995) J Phys Chem, 99, p. 11
  • Shvartsburg, A., Jarrold, M.F., Liu, B., Lu, Z.Y., Wang, C.Z., Ho, K.M., (1998) Phys Rev Lett, 81, p. 4616
  • Mitas, G.L., Grossman, J.C., Stich, I., Tobik, J., (2000) Phys Rev Lett, 84, p. 1479
  • Song, J., Ulloa, S.E., Drabold, D.A., (1996) Phys Rev B, 53, p. 8042
  • Li, B., Cao, P., (2001) J Phys: Condens Matter, 13, p. 10865
  • Li, B., Cao, P., (2000) Phys Rev A, 62, p. 023201
  • Methfessel, M., Schilfgaarde, M.V., (1993) Phys Rev B, 48, p. 4937
  • Methfessel, M., Rodriguez, C.O., Andersen, O.K., (1989), 40. , 2009; Li, B., Cao, P., (2005) Phys Rev B, 71, p. 235311
  • Li, B., Cao, P., Song, B., Ye, Z., (2003) J Mol Structu (Theochem), p. 620
  • Goedecker, S., Hellmann, W., Lenosky, T., (2005) Phys Rev Lett, 95, p. 55501
  • Goedecker, S., (2004) J Chem Phys, 120, p. 9911
  • Jackson, K., Pederson, M., Wang, C.-Z., Ho, K.-M., (1999) Phys Rev A, 59 (5), p. 3685
  • Rubio, A., Alonso, J.A., Blase, X., Balbás, L.C., Louie, S.G., (1996) Phys Rev Lett, 77, p. 5442. , E; Phys Rev Lett 77 1996, 247

Citas:

---------- APA ----------
(2007) . Prediction of structures and related properties of silicon clusters. Journal of Computational Methods in Sciences and Engineering, 7(3-4), 195-217.
Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14727978_v7_n3-4_p195_Ferraro [ ]
---------- CHICAGO ----------
Ferraro, M.B. "Prediction of structures and related properties of silicon clusters" . Journal of Computational Methods in Sciences and Engineering 7, no. 3-4 (2007) : 195-217.
Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14727978_v7_n3-4_p195_Ferraro [ ]
---------- MLA ----------
Ferraro, M.B. "Prediction of structures and related properties of silicon clusters" . Journal of Computational Methods in Sciences and Engineering, vol. 7, no. 3-4, 2007, pp. 195-217.
Recuperado de https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14727978_v7_n3-4_p195_Ferraro [ ]
---------- VANCOUVER ----------
Ferraro, M.B. Prediction of structures and related properties of silicon clusters. J. Comput. Methods Sci. Eng. 2007;7(3-4):195-217.
Available from: https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_14727978_v7_n3-4_p195_Ferraro [ ]