Modulation of the work function of silicon nanowire by chemical surface passivation: A DFT study

Theoretical Chemistry Accounts

Volumn 127, Issue 5, 2010, Pages 689-695

  Ng, Man Fai ^a   Sim, Li Yun ^a   Da, Haixia ^b   Jin, Hongmei ^a   Lim, Kok Hwa ^b   Yang, Shuo Wang ^a  

^a INSTITUTE OF HIGH PERFORMANCE COMPUTING   (Singapore)

^b Nanyang Technological University   (Singapore)

Author keywords

DFT; Silicon nanowire; Surface modification; Work function

Indexed keywords

EID: 78149410283     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-010-0779-6     Document Type: Article

References (33)

1. Morales AM, Lieber CM (1998) Science 279: 208.
2. Holmes JD, Johnston KP, Doty RC, Korgel BA (2000) Science 287: 1471.
3. Cui Y, Lauhon LJ, Gudiksen MS, Wang J, Lieber CM (2001) Appl Phys Lett 78: 2214.
4. Zhang RQ, Lifshitz Y, Lee ST (2003) Adv Mater 15: 635.
5. Wu Y, Cui Y, Huynh L, Barrelet CJ, Bell DC, Lieber CM (2004) Nano Lett 4: 433.
6. Read AJ, Needs RJ, Nash KJ, Canham LT, Calcott PDJ, Qteish A (1992) Phys Rev Lett 69: 1232.
7. Zhao X, Wei CM, Yang L, Chou MY (2004) Phys Rev Lett 92: 236805.
8. Zhang RQ, Lifshitz Y, Ma DDD, Zhao YL, Frauenheim Th, Lee ST, Tong SY (2005) J Chem Phys 123: 144703.
9. Ng MF, Zhou LP, Yang SW, Sim LY, Tan VBC, Wu P (2007) Phys Rev B 76: 155435.
10. Ng MF, Shen L, Zhou LP, Yang SW, Tan VBC (2008) Nano Lett 8: 3662.
11. Svizhenko A, Leu PW, Cho K (2007) Phys Rev B 75: 125417.
12. Leu PW, Svizhenko A, Cho K (2008) Phys Rev B 77: 235305.
13. Sorokin PB, Avramov PV, Kvashnin AG, Kvashnin DG, Ovchinnikov SG, Fedorov AS (2008) Phys Rev B 77: 235417.
14. Leu PW, Shan B, Cho K (2006) Phys Rev B 73: 195320.
15. Vo T, Williamson AJ, Galli G (2006) Phys Rev B 74: 045116.
16. Cui Y, Wei Q, Park H, Lieber CM (2001) Science 293: 1289.
17. Hahm J, Lieber CM (2004) Nano Lett 4: 51.
18. Cui Y, Lieber CM (2001) Science 291: 851.
19. Tian B, Zheng X, Kempa TJ, Fang Y, Yu N, Yu G, Huang J, Lieber CM (2007) Nature 449: 885.
20. Gudiksen MS, Lauhon LJ, Wang J, Smith DC, Lieber CM (2002) Nature 415: 617.
21. Sze SM, Ng KK (2006) Physics of semiconductor devices. Wiley & Sons, Inc, London.
22. Ma DDD, Lee CS, Au FCK, Tong SY, Lee ST (2003) Science 299: 1874.
23. Perdew JP, Chevary JA, Vosko SH, Jackson KA, Pederson MR, Singh DJ, Fiolhais C (1992) Phys Rev B 46: 6671.
24. Kresse G, Furthmüller J (1996) Comput Mat Sci 6: 15.
25. Kresse G, Furthmüller J (1996) Phys Rev B 54: 11169.
26. Blochl PE (1994) Phys Rev B 50: 17953.
27. Ng MF, Teo MK, Lim KH, Zhou L, Sullivan MB, Yang SW (2008) Diam Relat Mater 17: 2048.
28. Kokalj A (1999) J Mol Graph Model 17: 176.
29. Bimberg D, Blachnik R, Cardona M, Dean PJ, Grave T, Harbeke G, Hübner K, Kaufmann U, Kress W, Madelung O, von Münch W, Rössler U, Schneider J, Schulz M, Skolnick (1982) In: Madelung O (ed) Physics of group IV elements and III-V compounds. Springer, New York.
30. Cheng TC, Shieh J, Huang WJ, Yang MC, Cheng MH, Lin HM, Chang MN (2006) Appl Phys Lett 88: 263118.
31. Aradi B, Ramos LE, Deák P, Köhler T, Bechstedt F, Zhang RQ, Frauenheim T (2007) Phys Rev B 76: 035305.
32. Ponomareva I, Menon M, Srivastava D, Andriotis AN (2005) Phys Rev Lett 95: 265502.
33. Nieskens DLS, Ferré DC, Niemantsverdriet JW (2005) Chem Phys Chem 6: 1293.