Molecular doping and subsurface dopant reactivation in Si nanowires

Nano Letters

Volumn 10, Issue 9, 2010, Pages 3590-3595

  Miranda Durán, Álvaro ^a,b   Cartoixà, Xavier ^a   Cruz Irisson, Miguel ^b   Rurali, Riccardo ^a,c  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b INSTITUTO POLITÉCNICO NACIONAL   (Mexico)

^c INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

Author keywords

DFT; electronic structure; gas sensing; molecular doping; nanoelectronics; Si nanowires

Indexed keywords

B ATOMS; DFT; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES; GAS SENSING; IMPURITY DOPING; MESOPOROUS; MOLECULAR COMPLEXES; MOLECULAR DOPING; N- AND P-TYPE DOPING; P-DOPING; PASSIVE SURFACES; SATISFACTORY DEGREE; SEMICONDUCTOR NANOWIRE; SHALLOW DONORS; SI NANOWIRE;

ADSORPTION; CHEMICAL DETECTION; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; GAS DETECTORS; NANOELECTRONICS; NANOWIRES; SEMICONDUCTOR DOPING;

SILICON;

EID: 77956427713     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl101894q     Document Type: Article

References (58)

1. Rurali, R. Rev. Mod. Phys. 2010, 82, 427-449
2. Cui, Y.; Lieber, C. M. Science 2001, 291, 851-853
3. Huang, Y.; Duan, X.; Cui, Y.; Lauhon, L. J.; Kim, K.-H.; Lieber, C. M. Science 2001, 294, 1313-1317
4. Duan, X.; Huang, Y.; Lieber, C. M. Nano Lett. 2002, 2, 487-490
5. Kempa, T. J.; Tian, B.; Kim, D. R.; Hu, J.; Zheng, X.; Lieber, C. M. Nano Lett. 2008, 8, 3456-3460
6. Cui, Y.; Wei, Q.; Park, H.; Lieber, C. M. Science 2001, 293, 1289-1292
7. Boukai, A. I.; Bunimovich, Y.; Tahir-Kheli, J.; Yu, J.-K.; Goddard, W. A., III; Heath, J. R. Nature 2008, 451, 168-171
8. Hochbaum, A. I.; Chen, R.; Delgado, R. D.; Liang, W.; Garnett, E. C.; Najarian, M.; Majumdar, A.; Yang, P. Nature 2008, 451, 163-167
9. Radovanovic, P. V. Nat. Nanotechnol. 2009, 4, 282-283
10. Imamura, G.; Kawashima, T.; Fujii, M.; Nishimura, C.; Saitoh, T.; Hayashi, S. Nano Lett. 2008, 8, 2620-2624
11. Colli, A.; Fasoli, A.; Ronning, C.; Pisana, S.; Piscanec, S.; Ferrari, A. C. Nano Lett. 2008, 8, 2188-2193
12. Ho, J. C.; Yerushalmi, R.; Jacobson, Z. A.; Fan, Z.; Alley, R. L.; Javey, A. Nat. Mater. 2008, 7, 62-67
13. Ford, A. C.; Chuang, S.; Ho, J. C.; Chueh, Y.-L.; Fan, Z.; Javey, A. Nano Lett. 2010, 10, 509-513
14. Kong, J.; Franklin, N. R.; Zhou, C.; Chapline, M. G.; Peng, S.; Cho, K.; Dai, H. Science 2000, 287, 622-625
15. Zhou, C.; Kong, J.; Yenilmez, E.; Dai, H. Science 2000, 290, 1552-1555
16. Zhao, J.; Buldum, A.; Han, J.; Lu, J. P. Nanotechnology 2002, 13, 195
17. Li, J.; Lu, Y.; Ye, Q.; Cinke, M.; Han, J.; Meyyappan, M. Nano Lett. 2003, 3, 929-933
18. Chen, W.; Chen, S.; Qi, D. C.; Gao, X. Y.; Wee, A. T. S. J. Am. Chem. Soc. 2007, 129, 10418-10422
19. Wehling, T. O.; Novoselov, K. S.; Morozov, S. V.; Vdovin, E. E.; Katsnelson, M. I.; Geim, A. K.; Lichtenstein, A. I. Nano Lett. 2008, 8, 173-177
20. Dong, X.; Fu, D.; Fang, W.; Shi, Y.; Chen, P.; Li, L.-J. Small 2009, 5, 1422-1426
21. Cahen, D.; Naaman, R.; Vager, Z. Adv. Funct. Mater. 2005, 15, 1571-1578
22. He, T.; He, J.; Lu, M.; Chen, B.; Pang, H.; Reus, W. F.; Nolte, W. M.; Nackashi, D. P.; Franzon, P. D.; Tour, J. M. J. Am. Chem. Soc. 2006, 128, 14537-14541
23. He, T.; Ding, H.; Peor, N.; Lu, M.; Corley, D. A.; Chen, B.; Ofir, Y.; Gao, Y.; Yitzchaik, S.; Tour, J. M. J. Am. Chem. Soc. 2008, 130, 1699-1710
24. He, T.; Corley, D. A.; Lu, M.; Spigna, N. H. D.; He, J.; Nackashi, D. P.; Franzon, P. D.; Tour, J. M. J. Am. Chem. Soc. 2009, 131, 10023-10030
25. Haight, R.; Sekaric, L.; Afzali, A.; Newns, D. Nano Lett. 2009, 9, 3165-3170
26. Ingole, S.; Aella, P.; Manandhar, P.; Chikkannanavar, S. B.; Akhadov, E. A.; Smith, D. J.; Picraux, S. T. J. Appl. Phys. 2008, 103, 104302
27. Fernández-Serra, M. V.; Adessi, C.; Blase, X. Phys. Rev. Lett. 2006, 96, 166805
28. Cullis, A. G.; Canham, L. T.; Calcott, P. D. J. J. Appl. Phys. 1997, 82, 909-965
29. Bisi, O.; Ossicini, S.; Pavesi, L. Surf. Sci. Rep. 2000, 38, 1-126
30. Boarino, L.; Geobaldo, F.; Borini, S.; Rossi, A. M.; Rivolo, P.; Rocchia, M.; Garrone, E.; Amato, G. Phys. Rev. B 2001, 64, 205308
31. Timoshenko, V. Y.; Dittrich, T.; Lysenko, V.; Lisachenko, M. G.; Koch, F. Phys. Rev. B 2001, 64 085314
32. Geobaldo, F.; Onida, B.; Rivolo, P.; Borini, S.; Boarino, L.; Rossi, A.; Amato, G.; Garrone, E. Chem. Commun. 2001, 21, 2196-2197
33. Geobaldo, F.; Rivolo, P.; Rocchia, M.; Rossi, A. M.; Garrone, E. Phys. Status Solidi A 2003, 197, 458-461
34. Garrone, E.; Borini, S.; Rivolo, P.; Boarino, L.; Geobaldo, F.; Amato, G. Phys. Status Solidi A 2003, 197, 103-106
35. Chiesa, M.; Amato, G.; Boarino, L.; Garrone, E.; Geobaldo, F.; Giamello, E. Angew. Chem., Int. Ed. 2003, 42, 5032-5035
36. Gaburro, Z.; Oton, C. J.; Pavesi, L.; Pancheri, L. Appl. Phys. Lett. 2004, 84, 4388-4390
37. Geobaldo, F.; Rivolo, P.; Borini, S.; Boarino, L.; Amato, G.; Chiesa, M.; Garrone, E. J. Phys. Chem. B 2004, 108, 18306-18310
38. Geobaldo, F.; Rivolo, P.; Salvador, G. P.; Amato, G.; Boarino, L.; Garrone, E. Sens. Actuators, B 2004, 100, 205-208
39. Garrone, E.; Geobaldo, F.; Rivolo, P.; Amato, G.; Boarino, L.; Chiesa, M.; Giamello, E.; Gobetto, R.; Ugliengo, P.; Viale, A. Adv. Mater. 2005, 17, 528-531
40. Soler, J. M.; Artacho, E.; Gale, J. D.; García, A.; Junquera, J.; Ordejón, P.; Sánchez-Portal, D. J. Phys.: Condens. Matter 2002, 14, 2745-2779
41. Anglada, E. M.; Soler, J.; Junquera, J.; Artacho, E. Phys. Rev. B 2002, 66, 205101
42. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865-3868
43. Lyo, I.-W.; Kaxiras, E.; Avouris, P. Phys. Rev. Lett. 1989, 63, 1261-1264
44. Bedrossian, P.; Meade, R. D.; Mortensen, K.; Chen, D. M.; Golovchenko, J. A.; Vanderbilt, D. Phys. Rev. Lett. 1989, 63, 1257-1260
45. Berthe, M.; Urbieta, A.; ao, L. P.; Grandidier, B.; Deresmes, D.; Delerue, C.; Stiévenard, D.; Rurali, R.; Lorente, N.; Magaud, L.; Ordejón, P. Phys. Rev. Lett. 2006, 97, 206801
46. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188-5192
47. Although some of the adsorption proccesses that we will describe are favored also in the presence of a fully passivated surface (desorption of a H atom, followed by molecule adsorption), our assumption is that the molecules adsorb at the highly reactive dangling bond of the surface.
48. Different adsorption geometries, i.e., the molecule bonded through one of its H atoms, turned out not to be stable. However, it should be recalled that weak van der Waals interactions are not properly accounted for within local and semilocal formulations of DFT; thus we cannot exclude the existence of physisorbed configurations. On the other hand, such adsorption configurations do not usually yield sizable charge transfers. (57, 58).
49. Polisski, G.; Kovalev, D.; Dollinger, G.; Sulima, T.; Koch, F. Physica B 1999, 273-274, 951-954
50. Garrone, E.; Geobaldo, F.; Rivolo, P.; Salvador, G. P.; Pallavidino, L.; Boarino, L.; Amato, G.; Giamello, E.; Chiesa, M.; Gobetto, R. Phys. Status Solidi A 2005, 202, 1567-1570 Ugliengo
51. Baumer, A.; Stutzmann, M.; Brandt, M. S.; Au, F. C.; Lee, S. T. Appl. Phys. Lett. 2004, 85, 943-945
52. Bruno, M.; Palummo, M.; Marini, A.; Del Sole, R.; Ossicini, S. Phys. Rev. Lett. 2007, 98 036807
53. Diarra, M.; Niquet, Y.-M.; Delerue, C.; Allan, G. Phys. Rev. B 2007, 75 045301
54. Leao, C. R.; Fazzio, A.; da Silva, A. J. R. Nano Lett. 2008, 8, 1866-1871
55. Rurali, R.; Aradi, B.; Frauenheim, T.; Gali, A. Phys. Rev. B 2009, 79, 115303
56. Niquet, Y. M.; Genovese, L.; Delerue, C.; Deutsch, T. Phys. Rev. B 2010, 81, 161301
57. Bradley, K.; Gabriel, J.-C. P.; Briman, M.; Star, A.; Grüner, G. Phys. Rev. Lett. 2003, 91, 218301
58. Dounce, S. M.; Yang, M.; Dai, H.-L. Surf. Sci. 2004, 565, 27-36