Skip to main content
SpringerLink
Log in
Book cover

Vibrational Properties of Defective Oxides and 2D Nanolattices pp 35–60Cite as

First-Principles Modelling of Vibrational Modes in Defective Oxides and Correlation with IETS

  • Chapter
  • First Online:

  • 677 Accesses

Part of the book series: Springer Theses ((Springer Theses))

Abstract

The evolution of the electronic devices was driven for many years by the scaling of the CMOS transistors. Recently, strong improvements of the CMOS technology together with the introduction of new materials, i.e. high-\(\kappa \) and low-\(\kappa \) dielectrics, permitted Moore’s law to stay alive.

It doesn’t matter how beautiful your theory is, it doesn’t matter how smart you are. If it doesn’t agree with experiment, it’s wrong.

Richard P. Feynman

This is a preview of subscription content, log in via an institution.

Chapter
USD   29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD   84.99
Price excludes VAT (USA)
  • Available as EPUB and PDF
  • Read on any device
  • Instant download
  • Own it forever
Hardcover Book
USD   109.99
Price excludes VAT (USA)
  • Durable hardcover edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Learn about institutional subscriptions

References

  1. K. Ando, Materials 5, 478 (2012)

    Google Scholar 

  2. G.D. Wilk, R.M. Wallace, J.M. Anthony, J. Appl. Phys. 89, 5243 (2001)

    Article  ADS  Google Scholar 

  3. T.M. Yin, M.L. Cohen, Phys. Rev. B 26, 3259 (1980)

    Article  ADS  Google Scholar 

  4. D. Alfe, Comp. Phys. Comm. 180, 2622 (2009)

    Article  ADS  Google Scholar 

  5. J.P. Perdew, K. Burke, M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)

    Article  ADS  Google Scholar 

  6. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990)

    Article  ADS  Google Scholar 

  7. W. He, T.P. Ma, Appl. Phys. Lett. 83, 2605 (2003)

    Article  ADS  Google Scholar 

  8. S.L. You, C.C. Huang, C.J. Wang, H.C. Ho, J. Kwo, Appl. Phys. Lett. 92, 012113 (2008)

    Article  ADS  Google Scholar 

  9. X. Zhao, D. Vanderbilt, Phys. Rev. B 65, 233106 (2002)

    Article  ADS  Google Scholar 

  10. B.K. Kim, H. Hamaguchi, Mat. Res. Bull. 32, 1367 (1997)

    Article  Google Scholar 

  11. W He, Ph.D. thesis, 2005

    Google Scholar 

  12. E.J. Kim, M. Shandalov, K.C. Saraswat, P.C. McIntyre, Appl. Phys. Lett. 98, 032108 (2011)

    Article  ADS  Google Scholar 

  13. J.W. Reiner, S. Cui, Z. Liu, M. Wang, H. Ahn, T.P. Ma, Adv. Mater. 22, 2932 (2010)

    Google Scholar 

  14. K. Xiong, J. Robertson, M.C. Gibson, S.J. Clark, Appl. Phys. Lett. 87, 183505 (2005)

    Article  ADS  Google Scholar 

  15. K. Shiraishi, K. Yamada, K. Torii, Y. Akasaka, K. Nakajima, M. Konno, T. Chikyow, H. Kitajima, T. Arikado, Jpn. J. Appl. Phys. 43, L1413 (2004)

    Article  ADS  Google Scholar 

  16. S. Guha, V. Narayanan, Phys. Rev. Lett. 98, 196101 (2007)

    Article  ADS  Google Scholar 

  17. G. Salace, C. Petit, D. Vuillaume, J. Appl. Phys. 96, 5042 (2004)

    Article  ADS  Google Scholar 

  18. W.C. Lee, Y.J. Lee, Y.D. Wu, P. Chang, Y.L. Huang, Y.L. Hsu, J.P. Mannaerts, R.L. Lo, F.R. Chen, S. Maikap, L.S. Lee, W.Y. Hsieh, M.J. Tsai, S.Y. Lin, T. Gustffson, M. Hong, J. Kwo, J. Cryst. Growth 278, 619 (2005)

    Article  ADS  Google Scholar 

  19. M. Houssa, A. Satta, E. Simoen, B. De Jaeger, M. Meuris, M. Caymax, M. Heyns, Germanium-based technologies: From materials to devices. cap. 8 (2007)

    Google Scholar 

  20. M. Caymax, S. Van Elshocht, M. Houssa, A. Delabie, T. Conard, M. Meuris, M. Heyns, A. Dimoulas, S. Spiga, M. Fanciulli, J.W. Seo, L.V. Goncharova, Mater. Sci. Eng. B 135, 256 (2006)

    Article  Google Scholar 

  21. D. Brunco, B. De Jaeger, G. Eneman, J. Mitard, G. Hellings, A. Satta, V. Terzieva, L. Souriau, F. Leys, G. Pourtois, M. Houssa, G. Winderickx, E. Vrancken, S. Sioncke, K. Opsomer, G. Nicholas, M. Caymax, A. Stesmans, J. Van Steenbergen, P. Mertens, M. Meuris, M. Heyns, Electrochem. Soc. 155, H552 (2008)

    Article  Google Scholar 

  22. T. Takahashi, T. Nishimura, L. Chen, S. Sakata, K. Kita, A. Toriumi. IEDM-Tech. Dig. 297 (2007)

    Google Scholar 

  23. H. Matsubara, T. Sasada, M. Takenaka, S. Takagi, Appl. Phys. Lett. 93, 032104 (2008)

    Article  ADS  Google Scholar 

  24. T. Hosoi, K. Kutsuki, G. Okamoto, T. Shimura, H. Watanabe, Appl. Phys. Lett. 94, 202112 (2009)

    Article  ADS  Google Scholar 

  25. Y. Nakakita, R. Nakakne, T. Sasada, M. Takenaka, S. Takagi, Jpn. J. Appl. Phys. 50, 010109 (2011)

    Article  ADS  Google Scholar 

  26. Q. Xie, S. Deng, M. Schaekers, D. Lin, M. Caymax, A. Delabie, X.-P. Qu, Y.-L. Jiang, D. Deduytsche, C. Detavernier, Semicond. Sci. Technol. 27, 074012 (2012)

    Google Scholar 

  27. C.H. Lee, T. Nishimura, T. Tabata, S.K. Wang, K. Nagashio, K. Kita, A. Toriumi, IEDM-Tech. Dig. 416 (2010)

    Google Scholar 

  28. Y. Nakakita, R. Nakane, T. Sasada, H. Matsubara, M. Matsubara, S. Takagi, IEDM-Tech. Dig. 877 (2008)

    Google Scholar 

  29. C.H. Caymax, T. Eneman, T. Bellenger, S.K. Merckling, K. Delabie, K. Wang, A. Loo, E. Simoen, J. Mitard, B. De Jaeger, G. Hellings, K. De Meyer, M. Meuris, M. Heyns, IEDM-Tech. Dig. 461 (2009)

    Google Scholar 

  30. S. Van Elshocht, M. Caymax, T. Conard, S. De Gendt, I. Hoflijk, M. Houssa, B. De Jaeger, J. Van Steenbergen, M. Heyns, M. Meuris, Appl. Phys. Lett. 88, 141904 (2006)

    Article  ADS  Google Scholar 

  31. A. Delabie, F. Bellenger, M. Houssa, T. Conard, S. Van Elshocht, M. Caymax, M. Heyns, M. Meuris, in Proceedings of ALD Conference (2007)

    Google Scholar 

  32. F. Bellenger, M. Houssa, A. Delabie, T. Conard, M. Caymax, M. Meuris, K. De Mayer, M. Heyns, in Proceedings of ALD Conference (2007)

    Google Scholar 

  33. K. Kita, S. Suzuki, H. Nomura, T. Takahashi, T. Nishimura, A. Toriumi, ECS Trans. 11, 461 (2007)

    Article  Google Scholar 

  34. M. Houssa, G. Pourtois, F. Bellenger, M. Caymax, M. Meuris, M. Heyns, ECS Trans. 11, 471 (2007)

    Article  Google Scholar 

  35. P. Broqvist, J.F. Binder, A. Pasquarello, Appl. Phys. Lett. 97, 202908 (2010)

    Article  ADS  Google Scholar 

  36. K.K. Kuhn, IEEE TED 59, 1813 (2012)

    Article  Google Scholar 

  37. K. Kita, S. Suzuki, H. Nomura, T. Takahashi, T. Nishimura, A. Toriumi, Jpn. J. Appl. Phys. 47, 2349 (2008)

    Article  ADS  Google Scholar 

  38. T. Tezuka, S. Nakaharai, Y. Moriyama, N. Sugiyama, S. Takagi, IEEE EDL 23, 243 (2005)

    Article  Google Scholar 

  39. S. Nakaharai, T. Tezuka, E. Toyoda, N. Hirashita, Y. Moriyama, T. Maeda, T. Numata, N. Sugiyama, S. Takagi. Ext. Abs. SSDM 868 (2005)

    Google Scholar 

  40. B. De Jaeger, R. Bonzom, F. Leys, O. Richard, J. Van Steenbergen, G. Winderickx, E. Van Moorhem, G. Raskin, F. Letertre, T. Billon, M. Meuris, M. Heyns, Micro. Electron. Eng. 80, 82 (2005)

    Google Scholar 

  41. P. Zimmerman, G. Nicholas, B. De Jaeger, B. Kaczer, A. Stesmans, L.A. Ragnarsson, D.P. Brunco, F.E. Leys, M. Caymax, G. Winderickx, K. Opsomer, M. Meuris, M.M. Heyns, IEDM-Tech. Dig. 26, 1 (2006)

    Google Scholar 

  42. C.H. Lee, T. Tabata, T. Nishimura, K. Nagashio, K. Kita, A. Toriumi, Appl. Phys. Exp. 2, 071404 (2009)

    Article  ADS  Google Scholar 

  43. A. Delabie, F. Bellenger, M. Houssa, T. Conard, S. Van Elshocht, M. Caymax, M. Heyns, M. Meuris, Appl. Phys. Lett. 91, 082904 (2007)

    Article  ADS  Google Scholar 

  44. J.M. Soler, E. Artacho, J.D. Gale, A. Garcia, J. Junquera, P. Ordejon, D. Sanchez-Portal. J. Phys. Condens. Matter. 14, 2745 (2002)

    Google Scholar 

  45. N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1990)

    Article  ADS  Google Scholar 

  46. P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, G. Chiarotti, M. Cococcioni, I. Dabo, A. Dal, Corso, S. de Gironcoli, S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M. Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A. Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A. Seitsonen, A. Smogunov, P. Umari, R. Wentzcovitch. J. Phys. Condens. Matter. 21(39), 395502 (2009)

    Google Scholar 

  47. M.Y. Hu, H. Sinn, A. Alatas, W. Sturhahn, E.E. Alp, Phys. Rev. B 67, 113306 (2003)

    Google Scholar 

  48. F.F. Scott, Phys. Rev. B 1, 3488 (1970)

    Article  ADS  Google Scholar 

  49. F. Gervais, W. Kress, Phys. Rev. B 31, 4809 (1985)

    Article  ADS  Google Scholar 

  50. G. Nilsson, G. Nelin, Phys. Rev. B 3, 364 (1971)

    Article  ADS  Google Scholar 

  51. G. Nilsson, G. Nelin, Phys. Rev. B 5, 3151 (1972)

    Article  ADS  Google Scholar 

  52. M.C. Payne, A.F.J. Levi, W.A. Phillips, J.C. Inkson, C.J. Adkins, J. Phys. C Solid State Phys. 17, 1643 (1984)

    Article  ADS  Google Scholar 

  53. F. Gervais, W. Kress, Phys. Rev. B 23, 6580 (1981)

    Article  ADS  Google Scholar 

  54. A. Hofmeister, J. Horigan, J. Campbell, Americ. Mineral. 75, 1238 (1972)

    Google Scholar 

  55. S. Baroni, P. Giannozzi, A. Testa, Phys. Rev. Lett. 58, 1861 (1987)

    Article  ADS  Google Scholar 

  56. J. Vanhellemont, E. Simoen, I Romandic, A. Theuwis. Germanium-based technologies: From materials to devices. cap. 2 (2007)

    Google Scholar 

  57. P. Salmon, A. Barnes, R. Martin, G. Cuello, J. Phys. Cond. Matter 19, 415110 (2007)

    Article  Google Scholar 

  58. F.L. Galeener, Phys. Rev. B 27, 1052 (1983)

    Article  ADS  Google Scholar 

  59. L. Giacomazzi, P. Umari, A. Pasquarello, Phys. Rev. B 74, 155208 (2006)

    Article  ADS  Google Scholar 

  60. J. Peralta, G. Gutierrez, J. Rogan, J. Phys. Cond. Matter 20, 145215 (2008)

    Article  ADS  Google Scholar 

  61. R.D. Oeffner, A computational study of germanium dioxide, Ph.D. thesis, 1999

    Google Scholar 

  62. J.F. Binder, P. Broqvist, A. Pasquarello, ECS Trans. 33, 123 (2010)

    Google Scholar 

  63. L. Tsetseris, S.T. Pantelides, Appl. Phys. Lett. 95, 262107 (2009)

    Article  ADS  Google Scholar 

  64. E.A. Chagarov, A.C. Kummel, J. Chem. Soc. 130, 124717 (2009)

    ADS  Google Scholar 

  65. S. Le Roux, V. Petkov, J. Appl. Cryst. 43, 181 (2010)

    Article  Google Scholar 

  66. J.F. Binder, P. Broqvist, A. Pasquarello, Appl. Phys. Lett. 97, 092903 (2010)

    Article  ADS  Google Scholar 

  67. D.L. Price, M. Saboungi, A.C. Barnes, Phys. Rev. Lett. 81, 3207 (1998)

    Article  ADS  Google Scholar 

  68. J. Neuefeind, K.D. Liss, Phys. Chem. 100, 1341 (1996)

    Google Scholar 

  69. B.L. Zhang, K. Raghavachari, Phys. Rev. B 55, 15993 (1997)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Max-Planck-Institut für Eisenforschung, Düsseldorf, Germany

    Emilio Scalise

Authors
  1. Emilio Scalise
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Emilio Scalise .

Rights and permissions

Reprints and permissions

Copyright information

© 2014 Springer International Publishing Switzerland

About this chapter

Cite this chapter

Scalise, E. (2014). First-Principles Modelling of Vibrational Modes in Defective Oxides and Correlation with IETS. In: Vibrational Properties of Defective Oxides and 2D Nanolattices. Springer Theses. Springer, Cham. https://doi.org/10.1007/978-3-319-07182-4_3

Download citation

Publish with us

Policies and ethics

Search

Navigation