| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Impact of Surface Passivation on the Electronic Structure and Optical Properties of the Si1?xGex Nanowires |
| LAI Xin1,2, ZHANG Xi1,2**, ZHANG Yi-Xi1,2, XIANG Gang1,2** |
1College of Physical Science and Technology, Sichuan University, Chengdu 610064
2Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University, Chengdu 610064
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| Cite this article: |
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LAI Xin, ZHANG Xi, ZHANG Yi-Xi et al 2015 Chin. Phys. Lett. 32 027301 |
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Abstract The electronic structures and optical properties of the [110]?oriented Si1?xGex nanowires (NWs) passivated with different functional groups (?H, ?F and -OH) are investigated by using first-principles calculations. The results show that surface passivation influences the characteristics of electronic band structures significantly: the band gap widths and types (direct or indirect) of the Si1?xGex NWs with different terminators show complex and robust variations, and the effective masses of the electrons in the NWs can be modulated dramatically by the terminators. The study of optical absorption shows that the main peaks of the parallel polarization component of Si1?xGex NWs passivated with the functional groups exhibit prominent changes both in height and position, and are red-shifted with respect to those of corresponding pure Si NWs, indicating the importance of both the terminators and Ge concentrations. Our results demonstrate that the electronic and optical properties of Si1?xGex NWs can be tuned by utilizing selected functional groups as well as particular Ge concentrations for customizing purposes.
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Published: 20 January 2015
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| PACS: |
73.20.At
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(Surface states, band structure, electron density of states)
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73.22.-f
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(Electronic structure of nanoscale materials and related systems)
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78.67.-n
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(Optical properties of low-dimensional, mesoscopic, and nanoscale materials and structures)
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[1] Lee H and Choi H J 2010 Nano Lett. 10 2207
[2] Liu N et al 2011 J. Phys. Chem. C 115 15739
[3] Li R et al 2013 RSC Adv. 3 15982
[4] Nguyen B M et al 2014 Nano Lett. 14 585
[5] Yang J E et al 2006 Nano Lett. 6 2679
[6] McIntyre P C et al 2010 Semicond. Sci. Technol. 25 024016
[7] Goldberger J, Hochbaum A I, Fan R and Yang P D 2006 Nano Lett. 6 973
[8] Tsakalakos L, Balch J, Fronheiser J and Korevaar B A 2007 Appl. Phys. Lett. 91 233117
[9] Cui Y, Zhong Z H, Wang D L, Wang W U and Lieber C M 2003 Nano Lett. 3 149
[10] Moon C Y, Lee W J and Chang K J 2008 Nano Lett. 8 3086
[11] Nolan M, O'Callaghan S, Fagas G and Greer J C 2007 Nano Lett. 7 34
[12] Cui Y, Wei Q Q, Park H K and Lieber C M 2001 Science 293 1289
[13] Zhang Y X, Zhang X, Lai X and Xiang G 2014 Semicond. Sci. Technol. 29 075023
[14] Ho J C, Yerushalmi R, Jacobson Z A, Fan Z, Alley R L and Javey A 2008 Nat. Mater. 7 62
[15] Song Y P, Schmitt A L and Jin S 2007 Nano Lett. 7 965
[16] Leu P W, Shan B and Cho K 2006 Phys. Rev. B 73 195320
[17] Fernández-Serra M V, Adessi C and Blase X 2006 Nano Lett. 6 2674
[18] Henriksson A, Friedbacher G and Hoffmann H 2011 Langmuir 27 7345
[19] Wu Y, Cui Y, Huynh L, Barrelet C J, Bell D C and Lieber C M 2004 Nano Lett. 4 433
[20] Ng M F, Zhou L P, Yang S W, Sim L Y, Tan V B C and Wu P 2007 Phys. Rev. B 76 155435
[21] Ng M F, Sim L Y, Da H X, Jin H M, Lim H K and Yang S W 2010 Theor. Chem. Acc. 127 689
[22] Bisi O, Ossicini S and Pavesi L 2000 Surf. Sci. Rep. 38 1
[23] Singh N, Buddharaju K D, Manhas S K, Agarwal A, Rustagi S C, Lo G Q, Balasubramanian N and Kwong D L 2008 IEEE Trans. Electron Devices 55 3107
[24] Wang Z and Mingo N 2010 Appl. Phys. Lett. 97 101903
[25] Zhang Y X, Xiang G, Gu G X, Li R, He D W and Zhang X 2012 J. Phys. Chem. C 116 17934
[26] Kresse G and Furthmuller J 1996 Phys. Rev. B 54 11169
[27] Kresse G and Furthmuller J 1996 Comput. Mater. Sci. 6 15
[28] Pek?z R and Raty J Y 2009 Phys. Rev. B 80 155432
[29] Aradi B, Ramos L E, Deák P, K?hler Th, Bechstedt F, Zhang R Q and Frauenheim Th 2007 Phys. Rev. B 76 035305
[30] Huo J, Solanki R, Freeouf J L and Carruthers J R 2004 Nanotechnology 15 1848
[31] Gao M Z, You S Y and Wang Y 2008 Jpn. J. Appl. Phys. 47 3303
[32] Pek?z R, Malc?o?lu O B and Raty J Y 2011 Phys. Rev. B 83 035317 |
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