Doping of SiGe core-shell nanowires

Journal of Computational Electronics

Volumn 11, Issue 3, 2012, Pages 272-279

  Amato, Michele ^a,b   Rurali, Riccardo ^c   Ossicini, Stefano ^a,b  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNR   (Italy)

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

Author keywords

Core shell NWs; DFT; Doping; Electron and hole gas; Photovoltaics

Indexed keywords

BUILDING BLOCKES; CARRIER GENERATION; CORE-SHELL; CORE-SHELL NANOWIRES; DENSITY FUNCTIONAL THEORY SIMULATIONS; DFT; DIELECTRIC MISMATCH; DOPANT DEACTIVATION; DOPING PROCESS; ELECTRICAL DEVICES; ENERGY-BAND ALIGNMENT; FUTURE APPLICATIONS; HIGH QUALITY; HIGH-SPEED ELECTRONIC DEVICES; HOLE GAS; NANO SCALE; PHOTOVOLTAICS; SI/GE; SILICON GERMANIUM; THERMALLY ACTIVATED; VERY LOW TEMPERATURES;

DENSITY FUNCTIONAL THEORY; DOPING (ADDITIVES); GASES; GERMANIUM; NANOWIRES; SILICON ALLOYS; SURFACE SEGREGATION;

SHELLS (STRUCTURES);

EID: 84871925830     PISSN: 15698025     EISSN: 15728137     Source Type: Journal    
DOI: 10.1007/s10825-012-0394-y     Document Type: Conference Paper

References (70)

1. Cui, Y., Lieber, C.M.: Functional nanoscale electronic devices assembled using silicon nanowire building blocks. Science 291(5505), 851-853 (2001) (Pubitemid 32120751)
2. Xiang, J., Lu, W., Hu, Y., Wu, Y., Yan, H., Lieber, C.M.: Ge/Si nanowire heterostructures as high-performance field-effect transistors. Nature 441(7092), 489 (2006)
3. Huang, Y., Duan, X., Cui, Y., Lauhon, L.J., Kim, K.H., Lieber, C.M.: Logic gates and computation from assembled nanowire building blocks. Science 294(5545), 1313-1317 (2001) (Pubitemid 33063091)
4. Duan, X., Huang, Y., Lieber, C.M.: Nonvolatile memory and programmable logic from molecule-gated nanowires. Nano Lett. 2(5), 487-490 (2002) (Pubitemid 135706375)
5. Cui, Y.,Wei, Q., Park, H., Lieber, C.M.: Nanowire nanosensors for highly sensitive and selective detection of biological and chemical species. Science 293(5533), 1289-1292 (2001) (Pubitemid 32777412)
6. Nam, S., Jiang, X., Xiong, Q., Ham, D., Lieber, C.M.: Vertically integrated, three-dimensional nanowire complementary metal-oxide-semiconductor circuits. Proc. Natl. Acad. Sci. USA 106(50), 21035-21038 (2009)
7. Rurali, R.: Colloquium: Structural, electronic, and transport properties of silicon nanowires. Rev. Mod. Phys. 82(1), 427-449 (2010)
8. Diarra,M., Niquet, Y.M., Delerue, C., Allan, G.: Ionization energy of donor and acceptor impurities in semiconductor nanowires: Importance of dielectric confinement. Phys. Rev. B 75(4), 045301 (2007)
9. Niquet, Y.M., Genovese, L., Delerue, C., Deutsch, T.: Ab initio calculation of the binding energy of impurities in semiconductors: Application to Si nanowires. Phys. Rev. B 81(16), 161301 (2010)
10. Björk, M.T., Schmid, H., Knoch, J., Riel, H., Riess, W.: Donor deactivation in silicon nanostructures. Nat. Nanotechnol. 4(2), 103 (2008)
11. Calderón, M.J., Verduijn, J., Lansbergen, G.P., Tettamanzi, G.C., Rogge, S., Koiller, B.: Heterointerface effects on the charging energy of the shallow D- ground state in silicon: Role of dielectric mismatch. Phys. Rev. B 82(7), 075317 (2010)
12. Koren, E., Berkovitch, N., Rosenwaks, Y.: Measurement of active dopant distribution and diffusion in individual silicon nanowires. Nano Lett. 10(4), 1163-1167 (2010)
13. Bryant, G.W.: Hydrogenic impurity states in quantum-well wires. Phys. Rev. B 29(12), 6632-6639 (1984)
14. Rurali, R., Aradi, B., Frauenheim, T., Gali, A.: Donor levels in Si nanowires determined by hybrid-functional calculations. Phys. Rev. B 79(11), 115303 (2009)
15. Niquet, Y.M., Lherbier, A., Quang, N.H., Fernández-Serra, M.V., Blase, X., Delerue, C.: Electronic structure of semiconductor nanowires. Phys. Rev. B 73(16), 165319 (2006)
16. Peelaers, H., Partoens, B., Peeters, F.M.: Formation and segregation energies of B and P doped and BP codoped silicon nanowires. Nano Lett. 6(12), 2781-2784 (2006) (Pubitemid 46129571)
17. Fernández-Serra, M.V., Adessi, C., Blase, X.: Surface segregation and backscattering in doped silicon nanowires. Phys. Rev. Lett. 96(16), 166805 (2006)
18. Cui, Y., Duan, X., Hu, J., Lieber, C.: Doping and electrical transport in silicon nanowires. J. Phys. Chem. B 104(22), 5213-5216 (2000)
19. Yu, J.Y., Chung, S.W., Heath, J.R.: Silicon nanowires: Preparation, device fabrication, and transport properties. J. Phys. Chem. B 104(50), 11864-11870 (2000) (Pubitemid 32084924)
20. Wang, Y., Lew, K.K., Ho, T.T., Pan, L., Novak, S.W., Dickey, E.C., Redwing, J.M.,Mayer, T.S.: Use of phosphine as an n-type dopant source for vapor-liquid-solid growth of silicon nanowires. Nano Lett. 5(11), 2139-2143 (2005) (Pubitemid 41698926)
21. Nah, J., Varahramyan, K., Liu, E.S., Banerjee, S.K., Tutuc, E.: Doping of Ge-SixGe1-x core-shell nanowires using low energy ion implantation. Appl. Phys. Lett. 93(20), 203108 (2008)
22. Nah, J., Liu, E.S., Shahrjerdi, D., Varahramyan, K.M., Banerjee, S.K., Tutuc, E.: Realization of dual-gated Ge-SixGe1-x core-shell nanowire field effect transistors with highly doped source and drain. Appl. Phys. Lett. 94(6), 063117 (2009)
23. Lauhon, L.J., Gudiksen, M.S., Wang, D., Lieber, C.M.: Epitaxial core-shell and core-multishell nanowire heterostructures. Nature 420(6911), 57 (2002)
24. Amato, M., Ossicini, S., Rurali, R.: Band-offset driven efficiency of the doping of SiGe core-shell nanowires. Nano Lett. 11(2), 594-598 (2011)
25. Lu, W., Xiang, J., Timko, B.P., Wu, Y., Lieber, C.M.: One-dimensional hole gas in germanium/silicon nanowire heterostructures. Proc. Natl. Acad. Sci. USA 102(29), 10046 (2005)
26. Dayeh, S.A., Gin, A.V., Picraux, S.T.: Advanced core/multishell germanium/silicon nanowire heterostructures: Morphology and transport. Appl. Phys. Lett. 98(16), 163112 (2011)
27. Ossicini, S., Amato, M., Guerra, R., Palummo, M., Pulci, O.: Silicon and germanium nanostructures for photovoltaic applications: Ab-initio results. Nanoscale Res. Lett. 5(10), 1637-1649 (2010)
28. Joshi, G., Lee, H., Lan, Y., Wang, X., Zhu, G., Wang, D., Gould, R.W., Cuff, D.C., Tang, M.Y., Dresselhaus, M.S., Chen, G., Ren, Z.: Enhanced thermoelectric figure-of-merit in nanostructured p-type silicon germanium bulk alloys. Nano Lett. 8(12), 4670-4674 (2008)
29. Gudiksen, M.S., Lauhon, L.J., Wang, J., Smith, D.C., Lieber, C.M.: Growth of nanowire superlattice structures for nanoscale photonics and electronics. Nature 415(6872), 617-620 (2002) (Pubitemid 34136383)
30. Hohenberg, P., Kohn,W.: Inhomogeneous electron gas. Phys. Rev. 136(3B) (1964)
31. Kohn, W., Sham, L.J.: Self-consistent equations including exchange and correlation effects. Phys. Rev. 140(4A) (1965)
32. Perdew, J.P., Kurt, S.: Primer in Density Functional Theory. Springer, Berlin (2003)
33. Perdew, J.P., Zunger, A.: Self-interaction correction to density-functional approximations for many-electron systems. Phys. Rev. B 23(10), 5048-5079 (1981)
34. Onida, G., Reining, L., Rubio, A.: Electronic excitations: density-functional versus many-body Green's-function approaches. Rev. Mod. Phys. 74(2), 601-659 (2002)
35. Runge, E., Gross, E.K.U.: Density-functional theory for time-dependent systems. Phys. Rev. Lett. 52(12), 997 (1984)
36. Soler, J.M., Artacho, E., Gale, J.D., García, A., Junquera, J., Ordejón, P., Sánchez-Portal, D.: The SIESTA method for ab initio order-N materials simulation. J. Phys., Condens. Matter 14(11), 2745-2779 (2002) (Pubitemid 34288362)
37. Amato, M., Palummo,M., Ossicini, S.: SiGe nanowires: Structural stability, quantum confinement, and electronic properties. Phys. Rev. B 80(23), 235333 (2009)
38. Amato, M., Palummo,M., Ossicini, S.: Reduced quantum confinement effect and electron-hole separation in SiGe nanowires. Phys. Rev. B 79(20), 201302(R) (2009)
39. Palummo, M., Amato, M., Ossicini, S.: Ab initio optoelectronic properties of SiGe nanowires: Role of many-body effects. Phys. Rev. B 82(7), 073305 (2010)
40. Amato, M., Palummo,M., Ossicini, S.: Segregation, quantum confinement effect and band offset for [110] SiGe NWs. Phys. Status Solidi B 247(8), 2096 (2010)
41. Wu, Y., Cui, Y., Huynh, L., Barrelet, C.J., Bell, D.C., Lieber, C.M.: Controlled growth and structures of molecular-scale silicon nanowires. Nano Lett. 4(3), 433-436 (2004) (Pubitemid 38402628)
42. Tutuc, E., Chu, J., Ott, J., Guha, S.: Doping of germanium nanowires grown in presence of PH3. Appl. Phys. Lett. 89(26), 263101 (2006)
43. Peelaers, H., Partoens, B., Peeters, F.M.: Properties of B and P doped Ge nanowires. Appl. Phys. Lett. 90(26), 263103 (2007)
44. Nduwimana, A., Wang, X.Q.: Charge carrier separation in modulation doped coaxial semiconductor nanowires. Nano Lett. 9(1), 283-286 (2009)
45. Park, J.S., Ryu, B., Chang, K.J.: Stability of donor-pair defects in Si1-xGex alloy nanowires. J. Phys. Chem. C 115(21), 10345-10350 (2011)
46. Zhang, S.B., Northrup, J.E.: Chemical potential dependence of defect formation energies in GaAs: Application to Ga self-diffusion. Phys. Rev. Lett. 67, 2339-2342 (1991)
47. Derycke, V., Soukiassian, P.G., Amy, F., Chabal, Y.J., D'angelo, M.D., Enriquez, H.B., Silly, M.G.: Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization. Nat. Mater. 2(4), 253-258 (2003)
48. Rurali, R., Cartoixà, X.: Theory of defects in one-dimensional systems: Application to Al-catalyzed Si nanowires. Nano Lett. 9(3), 975-979 (2009)
49. Peressi, M., Binggeli, N., Baldereschi, A.: Band engineering at interfaces: theory and numerical experiments. J. Phys. D, Appl. Phys. 31(11), 1273 (1998)
50. Zunger, A.: Theoretical predictions of electronic materials and their properties. Curr. Opin. Solid State Mater. Sci. 3(1), 32-37 (1998) (Pubitemid 128349741)
51. Ciraci, S., Batra, I.P.: Strained Si/Ge superlattices: Structural stability, growth, and electronic properties. Phys. Rev. B 38(3), 1835-1848 (1988)
52. Van de Walle, C., Martin, R.: Theoretical study of band offsets at semiconductor interfaces. Phys. Rev. B 35(15), 8154-8165 (1987)
53. Van de Walle, C.G., Martin, R.M.: Theoretical study of Si/Ge interfaces. J. Vac. Sci. Technol. A 3(4), 1256-1259 (1985)
54. Peköz, R., Raty, J.Y.: From bare Ge nanowire to Ge/Si core/shell nanowires: A first-principles study. Phys. Rev. B 80(15), 155432 (2009)
55. Musin, R.N., Wang, X.Q.: Structural and electronic properties of epitaxial core-shell nanowire heterostructures. Phys. Rev. B 71(15), 155318 (2005)
56. Migas, D.B., Borisenko, V.E.: Structural, electronic, and optical properties of 〈001〉-oriented SiGe nanowires. Phys. Rev. B 76(3), 035440 (2007)
57. Musin, R.N.,Wang, X.Q.: Quantum size effect in core-shell structured silicon-germanium nanowires. Phys. Rev. B 74(16), 165308 (2006)
58. Peng, X., Logan, P.: Electronic properties of strained Si/Ge core-shell nanowires. Appl. Phys. Lett. 96, 143119 (2010)
59. Yang, L., Musin, R.N., Wang, X.Q., Chou, M.Y.: Quantum confinement effect in Si/Ge core-shell nanowires: First-principles calculations. Phys. Rev. B 77(19), 195325 (2008)
60. Nduwimana, A., Musin, R.N., Smith, A.M., Wang, X.Q.: Spatial carrier confinement in core-shell and multishell nanowire heterostructures. Nano Lett. 8(10), 3341-3344 (2008)
61. Liu, N., Li, Y.R., Lu, N., Yao, Y.X., Fang, X.W., Wang, C.Z., Ho, K.M.: Charge localization in [112] Si/Ge and Ge/Si core-shell nanowires. J. Phys. D, Appl. Phys. 43(27), 275404 (2010)
62. Peköz, R., Malcíglu, O.B., Raty, J.Y.: First-principles design of efficient solar cells using two-dimensional arrays of core-shell and layered SiGe nanowires. Phys. Rev. B 83(3), 035317 (2011)
63. Peng, X., Tang, F., Logan, P.: Band structure of Si/Ge core-shell nanowires along the [110] direction modulated by external uniaxial strain. J. Phys., Condens. Matter 23(11), 115502 (2011)
64. Kagimura, R., Nunes, R.W., Chacham, H.: Surface dangling-bond states and band lineups in hydrogen-terminated Si, Ge, and Ge/Si nanowires. Phys. Rev. Lett. 98(2), 026801 (2007)
65. Peelaers, H., Partoens, B., Peeters, F.M.: Electronic and dynamical properties of Si/Ge core-shell nanowires. Phys. Rev. B 82(11), 113411 (2010)
66. Huang, S., Yang, L.: Strain engineering of band offsets in Si/Ge core-shell nanowires. Appl. Phys. Lett. 98(9), 093114 (2011)
67. Yan, B., Frauenheim, T., Gali, A.: Gate-controlled donor activation in silicon nanowires. Nano Lett. 10(9), 3791-3795 (2010)
68. Zhang, S., Lopez, F.J., Hyun, J.K., Lauhon, L.J.: Direct detection of Hole Gas in Ge-Si Core-Shell nanowires by enhanced Raman scattering. Nano Lett. 10(11), 4483-4487 (2010)
69. Li, L., Smith, D.J., Dailey, E., Madras, P., Drucker, J., McCartney, M.R.: Observation of hole accumulation in Ge/Si Core/Shell nanowires using off-axis electron holography. Nano Lett. 11(2), 493-497 (2011)
70. Peng, K.Q., Lee, S.T.: Silicon nanowires for photovoltaic solar energy conversion. Adv. Mater. 23(2), 198-215 (2011)