An empirical pseudopotential approach to surface and line-edge roughness scattering in nanostructures: Application to Si thin films and nanowires and to graphene nanoribbons

Journal of Applied Physics

Volumn 110, Issue 8, 2011, Pages

  Fischetti, Massimo V ^a   Narayanan, Sudarshan ^a  

^a The University of Texas at Dallas   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC CONFIGURATION; ATOMIC ROUGHNESS; BARRIER POTENTIAL; BLOCH STATE; CHIRALITY DEPENDENCE; COMPUTATIONAL ADVANTAGES; ELECTRONIC TRANSPORT; EMPIRICAL PSEUDO-POTENTIAL; GRAPHENE NANORIBBONS; INVERSION LAYER; LINE EDGE ROUGHNESS; MACROSCOPIC MODEL; NANOMETER-SCALE STRUCTURES; PERTURBATION THEORY; PSEUDOPOTENTIALS; SCATTERING MATRIX ELEMENTS; SCATTERING RATES; SI NANOWIRE;

GRAPHENE; MODELS; NANOWIRES; PERTURBATION TECHNIQUES; SCATTERING; SCATTERING PARAMETERS; SEMICONDUCTING SILICON COMPOUNDS; SILICON; STEREOCHEMISTRY; TRANSPORT PROPERTIES;

CRYSTAL ATOMIC STRUCTURE;

EID: 80655132126     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3650249     Document Type: Article

References (67)

1. M. H. Evans, X.-G. Zhang, J. D. Joannopoulos, and S. T. Pantelides, Phys. Rev. Lett. 95, 106802 (2005). 10.1103/PhysRevLett.95.106802
2. G. Hadjisavvas, L. Tsetseris, and S. T. Pantelides, IEEE Electron. Device Lett. 28, 1018 (2007). 10.1109/LED.2007.906471
3. J. Wang, E. Polizzi, A. Ghosh, S. Datta, and M. Lundstrom, Appl. Phys. Lett. 87, 043101 (2005). 10.1063/1.2001158
4. M. Luisier, A. Schenk, and W. Fichtner, Appl. Phys. Lett. 90, 102103 (2007). 10.1063/1.2711275
5. S. G. Kim, A. Paul, M. Luisier, T. B. Boykin and G. Klimeck, IEEE Trans. Electron Dev. 58, 1371 (2011) 10.1109/TED.2011.2118213.
6. C. Riddet, A. R. Brown, C. L. Alexander, J. R. Watling, S. Roy, and A. Asenov, IEEE Trans. Nanotechnol. 6, 48 (2007). 10.1109/TNANO.2006.886739
7. A. Martinez, S. Svizhenko, M. P. Anantram, J. R. Barker, A. R. Broen, and A. Asenov, 2005 IEEE International Electron Devices Meeting, Washington, DC, 5 December 2005, p. 616.
8. S. E. Laux, A. Kumar, and M. V. Fischetti, J. Appl. Phys. 95, 5545 (2004). 10.1063/1.1695597
9. T. Ando, A. B. Fowler, and F. Stern, Rev. Mod. Phys. 54, 437 (1982). 10.1103/RevModPhys.54.437
10. F. Gmiz, J. B. Roldn, P. Cartujo-Cassinello, J. A. Lpez-Villanueva, and P. Cartujo, J. Appl. Phys. 89, 1764 (2001). 10.1063/1.1331076
11. D. Esseni, M. Mastrapasqua, G. K. Celler, C. Fiegna, L. Selmi, and E. Sangiorgi, IEEE Trans. Electron Devices 48, 2842 (2001); 10.1109/16.974714
12. D. Esseni, A. Abramo, L. Selmi, and E. Sangiorgi, IEEE Trans. Electron Devices 50, 2445 (2003);
13. D. Esseni, IEEE Trans. Electron Devices 51, 394 (2004).
14. T. Ishihara, K. Uchida, J. Koga, and S. Takagi, Jpn. J. Appl. Phys. 45, 3125 (2006). 10.1143/JJAP.45.3125
15. S. Jin, M. V. Fischetti, and T.-W. Tang, IEEE Trans. Electron Devices 54, 2191 (2007). 10.1109/TED.2007.902712
16. S. Jin, M. V. Fischetti, and T.-W. Tang, J. Appl. Phys. 102, 083715 (2007). 10.1063/1.2802586
17. S. M. Goodnick, D. K. Ferry, C. M. Wilmsen, Z. Liliental, D. Fathy, and O. L. Krivanek, Phys. Rev. B 32, 8171 (1985). 10.1103/PhysRevB.32.8171
18. D. R. Leadley, M. J. Kearney, A. I. Horrell, H. Fisher, L. Risch, E. H. C. Parker, and T. E. Whall, Semicond. Sci. Technol. 17, 708 (2002). 10.1088/0268-1242/17/7/313
19. M. L. Cohen, P. J. Lin, D. M. Roessler, and W. C. Walker, Phys. Rev. 155, 992 (1967). 10.1103/PhysRev.155.992
20. K. Hbner, Phys. Status Solidi A 48, 147 (1978). 10.1002/pssa.v48:1
21. S. K. Ghoshal, M. R. Sakar, and M. Rohani, J. Korean Phys. Soc. 58, 256 (2011). 10.3938/jkps.58.256
22. A. J. Williamson and A. Zunger, Phys. Rev. B 61, 1978 (2000). 10.1103/PhysRevB.61.1978
23. A. Palaria, G. Klimeck, and A. Strachan, Phys. Rev. B 78, 205315 (2008). 10.1103/PhysRevB.78.205315
24. Y.-W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 97, 216803 (2006). 10.1103/PhysRevLett.97.216803
25. S. B. Zhang, C.-Y. Yeh, and A. Zunger, Phys. Rev. B 48, 11204 (1993). 10.1103/PhysRevB.48.11204
26. L.-W. Wang and A. Zunger, Phys. Rev. B 51, 17398 (1995). 10.1103/PhysRevB.51.17398
27. M. V. Fischetti, B. Fu, S. Narayanan, and J. Kim, Semiclassical and quantum electronic transport in nanometer-scale structures: Band structure, Monte Carlo simulations and Pauli master equation, in Selected Topics in Semiclassical and Quantum Transport Modeling, edited by, D. Vasileska, (Springer, New York, 2011, in press).
28. D. Esseni and P. Palestri, Phys. Rev. B 72, 165342 (2005). 10.1103/PhysRevB.72.165342
29. R. E. Prange and T.-W. Nee, Phys. Rev. 168, 779 (1968). 10.1103/PhysRev.168.779
30. H. Sakaki, T. Noda, K. Hirakawa, M. Tanaka, and T. Matsusue, Appl. Phys. Lett. 51, 1934 (1987). 10.1063/1.98305
31. F. Tseng, D. Unluer, K. Holcomb, M. R. Stan, and A. W. Ghosh, Appl. Phys. Lett. 94, 223112 (2009). 10.1063/1.3147187
32. A. Betti, G. Fiori, G. Iannaccone, and Y. Mao, 2009 IEEE International Electron Devices Meeting, Baltimore, MD, 7-9 December 2009.
33. D. A. Areshkin, D. Gunlycke, and C. T. White, Nano Lett. 7, 204 (2007). 10.1021/nl062132h
34. D. Gunlycke, D. A. Areshkin, and C. T. White, Appl. Phys. Lett. 90, 142104 (2007). 10.1063/1.2718515
35. E. R. Mucciolo, A. H. Castro Neto, and C. H. Lewenkopf, Phys. Rev B 79, 075407 (2009). 10.1103/PhysRevB.79.075407
36. I. Martin and Y. M. Blanter, Phys. Rev B 79, 235132 (2009) 10.1103/PhysRevB.79.235132.
37. M. Evaldsson, I. V. Zozoulenko, H. Xu, and T. Heinzel, Phys. Rev B 78, 161407 (2008) 10.1103/PhysRevB.78.161407.
38. M. Luisier and G. Klimeck, Appl. Phys. Lett. 94, 223505 (2009). 10.1063/1.3140505
39. M. Bresciani, P. Palestri, D. Esseni, and L. Selmi, in Proceedings of 38th European Solid State Device Research Conference (ESSDERC), Athens, Greece, 14-18 September 2009, pp. 480-483.
40. A. Cresti and S. Roche, New J. Phys. 11, 095004 (2009). 10.1088/1367-2630/11/9/095004
41. G. Gilat and L. J. Raubenheimer, Phys. Rev. 144, 390 (1966). 10.1103/PhysRev.144.390
42. E. Ezawa, Physica E 40, 1421 (2008). 10.1016/j.physe.2007.09.031
43. C. P. Auth and J. D. Plummer, IEEE Trans. Electron Devices 18, 74 (1997). 10.1109/55.553049
44. Y. Kurokawa, S. Nomura, T. Takemori, and Y. Aoyagi, Phys. Rev. B 61, 12616 (2000). 10.1103/PhysRevB.61.12616
45. L. Yang, C.-H. Park, Y.-W. Son, M. L. Cohen, and S. G. Louie, Phys. Rev. Lett. 99, 186801 (2007). 10.1103/PhysRevLett.99.186801
46. X. Li, X. Wang, L. Zhang, S. W. Lee, and H. J. Dai, Science 319, 1229 (2008). 10.1126/science.1150878
47. D. Querlioz, Y. Apertet, A. Valenkin, K. Huet, A. Bournel, S. Galdin-Retailleau, and P. Dollfus, Appl. Phys. Lett. 92, 042108 (2008). 10.1063/1.2838354
48. In the context of AGNRs, the idea of replacing the full wavefunction G z, k z (2 D) (n) (R) with its cell-average k z (2 D) (n) (z) - thus ignoring Bloch-functions and symmetry-related overlap effects - may appear questionable. Indeed, recently it has been shown by K. Wakabayashi, Y. Tanake, M. Yamamoto, and M. Sigrist, New J. Phys.,(2009)10.1088/1367-2630/11/9/095016 (see also K. Wakabayashi, Y. Takane, and M. Sigrist, Phys. Rev. Lett.,(2007);10.1103/ PhysRevLett.99.036601 M. Yamamamoto, Y. Takane, and K. Wakabayashi, Carbon,(2009)10.1016/j.carbon.2008.10.030; and T. Ando, J. Phys. Soc. Jpn.,(2005)10.1143/JPSJ.74.777 for the case of graphene and nanotubes) that backscattering may be suppressed in both zigzag-edge GNRs - because of missing backscattering channels - and also in AGNRs because of the phase structure of the wavefunctions, despite the mixing of the A and B-sublattices-related chiralities at the K + and K-graphene symmetry points. This would give rise to a perfectly conducting channel (PCC). However, this happens only in the presence of long-range scattering potentials (impurities in the case considered by Wakabayashi) which suppress intervalley scattering and only when employing a nearest-neighbor, single-orbital (p z) empirical tight-binding model. In our case, the presence of all orbitals and of beyond-nearest-neighbor interactions implicitly included by the pseudopotential approach alters the band structure (see, for example, Ref.) and also the phase structure of the wavefunctions, thus removing the selection rules, which prevent backscattering. In addition, the ER scattering potential we consider here exhibits short-range components which assist intervalley scattering.
49. T. Fang, A. Konar, H. Xing, and D. Jena, Phys. Rev. B 78, 205403 (2008). 10.1103/PhysRevB.78.205403
50. L. Zheng, X. Y. Liu, G. Du, J. F. Kang, and R. Q. Han, in Proceedings of the 2009 Simulation of Semiconductor Processes and Devices (SISPAD), San Diego, CA, 9-11 September 2009.
51. A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov, and A. K. Geim, Rev. Mod. Phys. 81, 109 (2009). 10.1103/RevModPhys.81.109
52. Y. Yoon and J. Guo, Appl. Phys. Lett. 91, 073103 (2007). 10.1063/1.2769764
53. Y. Ouyang, X. Wang, H. Dai, and J. Guo, Appl. Phys. Lett. 92, 243124 (2008). 10.1063/1.2949749
54. P. Zhao and J. Guo, J. Appl. Phys. 105, 034503 (2009). 10.1063/1.3073875
55. A. Sinitskii, A. A. Fursina, D. V. Kosynkin, A. L. Higginbotham, D. Natelson, and J. M. Tour, Appl. Phys. Lett. 95, 253198 (2009). 10.1063/1.3276912
56. Y. Yang and R. Murali, Electron. Device Lett. 31, 237 (2010). 10.1109/LED.2009.2039915
57. B. Berger, Z. Song, X. Li, X. Wu, N. Brown, C. Naud, D. Mayou, T. Li, J. Hass, A. N. Marchenkov, E. H. Conrad, P. N. First, and W. A. de Heer, Science 312, 1191 (2006). 10.1126/science.1125925
58. J. Cai, P. Ruffieux, R. Jaafar, M. Bieri, T. Braun, S. Blankenburg, M. Muoth, A. P. Seitsonen, M. Saleh, X. Feng, K. Muellen, and R. Fasel, Nature 466, 470 (2010). 10.1038/nature09211
59. L. Jiao, L. Zhang, X. Wang, G. Diankov, and H. Dai, Nature 458, 877 (2009). 10.1038/nature07919
60. D. V. Kosynkin, A. L. Higginbotham, A. Sinitskii, J. R. Lomeda, A. Dimiev, B. K. Price, and J. M. Tour, Nature 458, 872 (2009). 10.1038/nature07872
61. A. Cresti, N. Nemec, B. Biel, G. Niebler, F. Triozon, G. Cuniberti, and S. Roche, Nano Res. 1, 361 (2008). 10.1007/s12274-008-8043-2
62. F. Sols, F. Guinea, and A. H. Castro Neto, Phys. Rev. Lett. 99, 166803 (2007). 10.1103/PhysRevLett.99.166803
63. K. Todd, H.-T. Cou, S. Amasha, and D. Goldhaber-Gordon, Nano Lett. 9, 416 (2009). 10.1021/nl803291b
64. C. Stampfer, J. Guttinger, S. Hellmuller, F. Molitor, K. Ensslin, and T. Ihn, Phys. Rev. Lett. 102, 056403 (2009). 10.1103/PhysRevLett.102.056403
65. S. Fratini and F. Guinea, Phys. Rev. B 77, 195415 (2008). 10.1103/PhysRevB.77.195415
66. M. Bresciani, P. Palestri, D. Esseni, and L. Selmi, Solid State Electron. 54, 1015 (2010). 10.1016/j.sse.2010.04.038
67. S. DasSarma and X. C. Xie, Phys. Rev. B 35, 9875 (1987). 10.1103/PhysRevB.35.9875