Summary
We present a theoretical study of two infinite wires of Si with a different lateral size. The analysis is based on the linear muffin tin orbitals method in the atomic sphere approximation (LMTO-ASA). We consider free, partially and totally H-covered [001] Si quantum wires with rectangular cross-section. The results of this investigation prove the quantum wire nature of porous Si and interpret many of its physical features. In particular we show that a) as expected quantum confinement originates the opening of the LDA gap; b) the gap opening effect is asymmetric: 1/3 of the widening is in the valence band, while 2/3 in the conduction band; c) the near band gap states originate from Si atoms located at the center of the wire; d) the confinement is enhanced in the case of free surfaces; e) the imaginary part of the dielectric function shows a low-energy side structure strongly anisotropic, identified as responsible of the luminescence transition; f) the presence of dangling bonds destroys the luminescence properties; g) in spite of feature c), all Si atoms are collectively involved in the luminescence transition; h) the shift detected by the Si L2, 3VV Auger signal is due to H-interaction effect and is not a measure of the quantum confinement effect; i) the Si atoms probed by the Si L2, 3VV Auger are bonded with H and H2.
Similar content being viewed by others
References
Canham L. T., Appl. Phys. Lett., 57 (1990) 1046.
For a recent review see Canham L. T., in Optical Properties of Low Dimensional Silicon Structures, edited by D. Bensahel, L. T. Canham and S. Ossicini (Kluwer Academic Publishers, Dordrecht) 1993, p. 81.
Hybertsen M. S., Mater. Res. Soc. Proc., 256 (1992) 179.
Proot J. P., Delerue C. and Allan G., Appl. Phys. Lett., 61 (1992) 1948.
Ren S. Y. and Dow J. D., Phys. Rev. B, 45 (1992) 6492.
Sanders G. D. and Chang Y. C., Phys. Rev. B, 45 (1992) 9202.
Koch F., Petrova-Koch V., Muschik T., Kux A., Müller F., Gavrilenko V. and Möller F., in The Physics of Semiconductors, edited by Ping Yang and Hou-Zhi Zheng (World Scientific, Singapore) 1992, p. 1483.
Read A. J., Needs R. J., Nash K. J., Canham L. T. Calcott P. D. J. and Qteish A., Phys. Rev. Lett., 69 (1992) 1232.
Buda F., Kohanoff J. and Parrinello M., Phys. Rev. Lett., 69 (1992) 1272.
Ohno T., Shiraishi K. and Ogawa T., Phys. Rev. Lett., 69 (1992) 2400.
Van de Walle C. G. and Northrup J. E., Phys. Rev. Lett., 70 (1993) 1116.
Hybertsen M. S. and Needels M., Phys. Rev. B, 48 (1993) 4608.
Yeh C.-Y., Zhang S. B. and Zunger A., Phys. Rev. B, 50 (1994) 14405.
Dorigoni L., Bisi O., Bernardini F. and Ossicini S., Phys. Rev. B, 53 (1996) 4557.
Vial J. C., Bsiesy A., Gaspard F., Hérino R., Lugeon M., Muller F., Romenstain R. and Macfarlane R. M., Phys. Rev. B, 95 (1992) 14171.
Calcott P. D. J., Nash K. J., Canham L. T., Kane M. J. and Brumhead D., J. Phys. Condensed Matter, 5 (1993) L91.
Koch F., in Silicon based optoelectronic materials, edited by M. A. Tischler, R. T. Collins, M. L. Thewalt and G. Abstreiter, Mater. Res. Soc. Symp. Proc., 298 (1993) 319.
Brandt M. S., Fuchs H. D., Stutzmann M., Weber J. and Cardona M., Solid State Commun., 81 (1992) 307.
Prokes S. M., Glembocky O. J. Bermudez V. M., Kaplan R., Friedersdorf L. E. and Searson P. C., Phys. Rev. B, 45 (1992) 13788.
van Buuren T., Tiedje T., Patitsas S. N. and Weydanz W. Phys. Rev. B, 50 (1994) 2719.
Voos M., Uzan Ph., Delalande C., Bastard G. and Halimaoui A., Appl. Phys. Lett., 61 (1992) 1213.
Lockwood D. J., Solid State Commun., 92 (1994) 101.
Brandt M. S. and Stutzmann M., Appl. Phys. Lett., 61 (1992) 2569.
Ferrieu F., Halimaoui A. and Bensahel D., Solid State Commun., 84 (1992) 293.
Koshida N. Koyama H., Suda Y. Yamamoto Y., Araki M., Saito T., Sato K., Sata N. and Shin S., Appl. Phys. Lett., 63 (1993) 2774.
Feibelman P. J. and McGuire E. J., Phys. Rev. B, 17 (1978) 690; Bisi O., in Auger Spectroscopy and Electronic Structure, edited by G. Cubiotti, G. Mondio and K. Wandelt (Springer-Verlag) 1989, p. 30.
Dorigoni L., Pavesi L., Bisi O. Calliari L., Anderle M. and S. Ossicini, Thin Solid Films, 276 (1996) 244.
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Ossicini, S., Bisi, O. The optical transition in porous Si: The effects of quantum confinement, surface states and hydrogen passivation. Nuov Cim D 18, 1121–1129 (1996). https://doi.org/10.1007/BF02464690
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1007/BF02464690