Paper Titles

Infrared Absorption from Low Carbon Concentration, Low Dose, Annealed CZ Silicon
p.207

Peculiarities of Dislocation Related D1/D2 Bands Behavior under Copper Contamination in Silicon
p.213

Multiplicity of Nitrogen Species in Silicon: The Impact on Vacancy Trapping
p.219

The Electrical and Optical Properties of Point and Extended Defects in Silicon Arising from Oxygen Precipitation
p.225

Fundamental Interactions of Fe in Silicon: First-Principles Theory
p.233

First Principles Calculations of the Formation Energy of the Neutral Vacancy in Germanium
p.241

First-Principles Simulations of Frenkel Pair Formation and Annealing in Irradiated ß-SiC
p.247

Primary Defects in n-Type Irradiated Germanium: A First-Principles Investigation
p.253

A Theoretical Study of Copper Contaminated Dislocations in Silicon
p.259

HomeSolid State PhenomenaSolid State Phenomena Vols. 131-133Fundamental Interactions of Fe in Silicon:...

Fundamental Interactions of Fe in Silicon: First-Principles Theory

Article Preview

Abstract:

Interstitial iron and iron-acceptor pairs are well studied but undesirable defects in Si as they are strong recombination centers which resist hydrogen passivation. Thermal anneals often result in the precipitation of Fe. Relatively little information is available about the interactions between Fe and native defects or common impurities in Si. We present the results of first-principles calculations of Fe interactions with native defects (vacancy, self-interstitial) and common impurities such as C, O, H, or Fe. The goal is to understand the fundamental chemistry of Fe in Si, identify and characterize the type of complexes that occur. We predict the configurations, charge and spin states, binding and activation energies, and estimate the position of gap levels. The possibility of passivation is discussed.

You might also be interested in these eBooks

Gettering and Defect Engineering in Semiconductor Technology XII

Info:

Periodical:

Solid State Phenomena (Volumes 131-133)

Pages:

233-240

DOI:

https://doi.org/10.4028/www.scientific.net/SSP.131-133.233

Citation:

Cite this paper

Online since:

October 2007

Authors:

Stefan K. Estreicher, Mahdi Sanati, N. Gonzalez Szwacki

Keywords:

Hydrogen, Iron, Passivation, Self-Interstitial, Theory, Vacancy

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

© 2008 Trans Tech Publications Ltd. All Rights Reserved

Share:

Citation:

[1] A.A. Istratov, H. Hieslmair, and E.R. Weber, Appl. Phys. A 69 (1999), 13.

[2] A.A. Istratov, H. Hieslmair, and E.R. Weber, Appl. Phys. A 70 (2000), 489.

[3] G. W. Ludwig and H.H. Woodbury, Phys. Rev. Lett. 5 (1960), 98.

[4] G. Feher, Phys. Rev. 114, (1959), 1219.

[5] A. Thilderkvist, G. grossmann, M. Kleverman, H.G. Grimmeiss, Phys. Rev. B 58 (1998), 7723.

[6] H. Weihrich and H. Overhof, Phys. Rev. B 54 (1996), 4680.

[7] K. Wunstel and P. Wagner, Appl. Phys. A 27 (1982), 207.

[8] K. Nakashima and M. Chijiiwa, Jpn. J. Appl. Phys. 25 (1986), 234.

[9] O.O. Awadelkarim and B. Monemar, J. Appl. Phys. 64 (1988), 6306.

[10] A. Rohatgi, J.A. Davis, R.H. Hopkins, P. Rai-Choudhur, and P.G. McMullin, Sol. St. Electron. 23 (1980), 415.

[11] H. Lemke, Phys. Stat. Sol. A 64 (1981), 215.

[12] K. Wunstel, K.H. Froehner, and P. Wagner, Physica B&C 116 (1983), 301.

[13] V.B. Voronkov, A.A. Lebedev, A.T. Mamadalimov, B.M. Urunbaev, and T.A. Usmanov, Sov. Phys. Semic. 14 (1980), 1217.

[14] H. Feichtinger, J. Waltl, and A. Gschwandtner, Sol. St. Commun. 27 (1978), 867.

[15] T. Heiser and A. Mesli, Appl. Phys. Lett. 58, 2240 (1991); Phys. Rev. Lett. 68 (1992), 978.

[16] H. Takahashi, M. Suezawa, and K. Sumino, Phys. Rev. B 46 (1992), 1882.

[17] M. Sanati, N. Gonzalez Szwacki, and S.K. Estreicher, Phys. Rev. B (submitted).

[18] G.G. DeLeo, G.D. Watkins, and W. Beall Fowler, Phys. Rev. 23 (1981), 1851; 25 (1982), 4962; 25 (1982), 4972.

[19] See A. Zunger, Sol. State Phys. 39 (1986), 275 and references therein.

[20] F. Beeler, O.K. Andersen, and M. Scheffler, Phys. Rev. Lett. 55 (1985), 1498; Phys. Rev. B 41 (1990), 1603.

[21] H. Weihrich and H. Overhof, Phys. Rev. B 54 (1996), 4680.

[22] L.V.C. Assali and J.R. Leite, Phys. Rev. B 36 (1987), 1296.

[23] M. Sugimoto and A. Seki, Mater. Sci. Forum 196-201 (1996), 1339.

[24] S. Zhao, L.V.C. Assali, J.F. Justo, G.H. Gilmer, L.C. Kimerling, J. Appl. Phys. 90 (2001), 2744.

[25] H. Overhof and H. Weihrich, Phys. Rev. B 55 (1997), 10508.

[26] G. Weyer, S. Degroote, M. Famciulli, V.N. Fedoseyev, G. Langouche, V.I. Mishin, A. -M. Van Bavel, A. Vantomme, and the ISOLDE collaboration, Mater. Science Forum 258-263 (1997), 437.

DOI: 10.4028/www.scientific.net/msf.258-263.437

[27] Y. Yoshida, S. Ogawa, and K. Arikawa, Physica B 340-342 (2003), 605; Y. Yoshida, Y. Kobayashi, K. Hayakawa, K. Yukihira, A. Yoshida, H. Ueno, F. Shimura, and F. Ambe, Physica B 376-377 (2006), 69.

DOI: 10.1016/j.physb.2005.12.019

[28] U. Wahl, J.G. Correia, E. Rita, J.P. Araújo, J.C. Soares, and the ISOLDE collaboration, Phys. Rev. B 72 (2005), 014115 and Nucl. Instr. Meth. B 253 (2006), 167.

[29] A. Zunger and U. Lindefelt, Phys. Rev. B 26 (1982), 5989.

[30] VASP 2003 at http: /cms. mpi. univie. ac. at/vasp.

[31] G. Kresse and J. Hafner, Phys. Rev. B 47 (1993), 558.

[32] G. Kresse and J. Furthm\"uller, Phys. Rev. B 54 (1996), 1116.

[33] G. Kresse and D. Joubert, Phys. Rev. B 59 (1999), 1758.

[34] P.E. Blöchl, Phys. Rev. B 50 (1994), 17953.

[35] D. Sánchez-Portal, P. Ordejón, E. Artacho, and J.M. Soler, Int. J. Quant. Chem. 65 (1997), 453.

[36] E. Artacho, D. Sánchez-Portal, P. Ordejón, A. García, and J.M. Soler, Phys. Stat. Sol. (b) 215 (1999), 809.

[37] J.P. Perdew in Electronic Structure of Solids '91, ed. P. Ziesche and H. Eschring (Akademie Verlag, Berlin, 1991), p.11.

[38] J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77 (1996), 3865.

[39] H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13 (1976), 5188.

[40] D. Vanderbilt, Phys. Rev. B 41 (1990), 7892.

[41] G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6 (1996), 15.

[42] N. Troullier and J.L. Martins, Phys. Rev. B 43 (1991), (1993).

[43] O.F. Sankey and D.J. Niklevski, Phys. Rev. B 40 (1989), 3979; O.F. Sankey, D.J. Niklevski, D.A. Drabold, and J.D. Dow, Phys. Rev. B 41 (1990), 12750.

[44] A.A. Demkov, J. Ortega, O.F. Sankey, and M.P. Grumbach, Phys. Rev. B 52 (1995), 1618.

[45] J. Izquierdo, A. Vega, L.C. Balbás, D. Sánchez-Portal, J. Junquera, E. Artacho, J.M. Soler, and P. Ordejón, Phys. Rev. B 61 (2000), 13639.

DOI: 10.1103/physrevb.61.13639

[46] V.M. García-Suárez, C.M. Newman, C.J. Lambert, J.M. Pruneda, and J, Ferrer, J. Phys.: Condens. Matter 16 (2004), 5453.

[47] J.P. Goss, M.J. Shaw, and P.R. Briddon in Theory of Defects in Semiconductors, ed. D.A. Drabold and S.K. Estreicher (Springer, Berlin, 2007), p.69.

[48] P.E. Blöchl, Phys. Rev. B 50 (1994), 17953.

[49] S.K. Estreicher, D. West, J. Goss, S. Knack, and J. Weber, Phys. Rev. Lett. 90 (2003), 035504.

[50] See Early Stage of Oxygen Precipitation in Silicon, ed. R. Jones (Kluwer, Dordrecht, 1996).

[51] D. West, S.K. Estreicher, S. Knack, and J. Weber, Phys. Rev. B 68 (2003), 035210.

[52] S.K. Estreicher, M. Sanati, D. West, and F. Ruymgaart, Phys. Rev. B 70, 125209 (2004).

[53] Handbook of Chemistry and Physics, ed. D.R. Lide (CRC press, Boca Raton, 1995).

[54] S.K. Estreicher, Mat. Sci. Engr. R 14 (1995), 319.

[55] J. Weber, MRS Proc. 513 (1998), 345.

[56] J. -U. Sachse. E.Ö. Sveinbjörnsson, N. Yarykin, J. Weber, Mater. Sci. Engr. B 58 (1999), 134.

[57] N. Gonzalez and S.K. Estreicher, to be published.

[58] T. Sadoh, K. Tsukamoto, A. Baba, D. Bai, A. Kenjo, T. Tsurushima, H. Mori, and H. Nakashima, J. Appl. Phys. 82, 3828 (1997).

DOI: 10.1063/1.365746