摘要Recent experiment shows that scandium (Sc) can make a good performance contact with carbon nanotubes (CNTs) to fabricate n-type field effect transistor (n-FET). We study the Schottky barrier (SB) of scandium (Sc) and palladium (Pd) with a (8,0) single-wall CNT (SWCNT) using first-principles calculation. It is found that the p-type SB height (SBH) of the Pd--CNT contact is about 0.34eV, which is in good agreement with the experimental data. For the Sc-CNT contact, an n-type contact is formed and the SBH is about 0.08eV in agreement with the experimental observations. Our calculation demonstrates that by contacting CNT with Pd and Sc, p-FET and n-FET can be fabricated, respectively. The dipole effect at the interface is used to explain our result
Abstract：Recent experiment shows that scandium (Sc) can make a good performance contact with carbon nanotubes (CNTs) to fabricate n-type field effect transistor (n-FET). We study the Schottky barrier (SB) of scandium (Sc) and palladium (Pd) with a (8,0) single-wall CNT (SWCNT) using first-principles calculation. It is found that the p-type SB height (SBH) of the Pd--CNT contact is about 0.34eV, which is in good agreement with the experimental data. For the Sc-CNT contact, an n-type contact is formed and the SBH is about 0.08eV in agreement with the experimental observations. Our calculation demonstrates that by contacting CNT with Pd and Sc, p-FET and n-FET can be fabricated, respectively. The dipole effect at the interface is used to explain our result
[1] Iijima S 1991 Nature 354 56 [2] Heinze S, Radosavljevic M, Tersoff J and Avouris Ph 2003 Phys. Rev. B 68 235418 [3] Heinze S et al 2002 Phys. Rev. Lett. 89 106801 [4] Tans S J et al 1998 Nature 393 49 [5] Javey A et al 2003 Nature 424 654 [6] Kim W et al 2005 Appl. Phys. Lett. 87 173101 [7] Zhu W and Kaxiras E 2006 Appl. Phys. Lett. 89243107 [8] Chen Z et al 2005 Nano Lett. 5 1497 [9] Meng T, Wang C and Wang S 2007 J. Appl. Phys. 102 013709 [10] Zhang Z et al 2007 Nano Lett. 7 3603 [11] Bardeen J 1947 Phys. Rev. 71 717 [12] Cowley A M and Sze S M 1965 J. Appl. Phys. 363212 [13] Tersoff J 1985 Phys. Rev. B 32 6968 [14] Louie S G, Chelikowsky J R and Cohen M L 1977 Phys.Rev. B 15 2154 [15] M\"{onch W 1999 J. Vac. Sci. Technol. B 171867 [16] Spicer W E, Lindau I, Skeath P and Su C Y 1980 J.Vac. Sci Technol. 17 1019 [17] Hasegawa H and Ohno H 1986 J. Vac. Sci. Technol. B 4 1130 [18] Tung R T 2001 Phys. Rev. B 64 205310 [19] Hamann D R 1979 Phys. Rev. Lett. 42 662 [20] Kresse G, Furthmuller J 1996 Phys. Rev. B 5411169 [21] Perdew J P and Wang Y 1992 Phys. Rev. B 4513244 [22] Vanderbilt D 1990 Phys. Rev. B 41 7892 [23] Monkhorst H J and Pack J D 1976 Phys. Rev. B 13 5188 [24] Shan B and Cho K 2004 Phys. Rev. B 70 233405 [25] Shan B and Cho K 2005 Phys. Rev. Lett. 94236602 [26] Blase X, Benedict L X, Shirley E L and Louie S G 1994 Phys. Rev. Lett. 72 1878
2009, Vol. 26 
