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Structural Stability and Optical Properties of hexagonal and cubic CdSe Nanocrystals synthesized in MgO

Published online by Cambridge University Press:  01 February 2011

S.W.H. Eijt ,
van Huis ,
P.E. Mijnarends ,
B.J. Kooi  and
M. Nanu
S.W.H. Eijt
Affiliation:
Faculty of Applied Sciences, Delft University of Technology, Delft, The Netherlands
van Huis
Affiliation:
Faculty of Applied Sciences, Delft University of Technology, Delft, The Netherlands
P.E. Mijnarends
Affiliation:
Faculty of Applied Sciences, Delft University of Technology, Delft, The Netherlands Physics Department, Northeastern University, Boston, MA 02115
B.J. Kooi
Affiliation:
Materials Science Centre, University of Groningen, Groningen, The Netherlands
M. Nanu
Affiliation:
Inorganic Chemistry, Faculty of Applied Sciences, Delft University of Technology, Delft, The Netherlands
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Abstract

We present a study of CdSe nanocrystals synthesized in MgO by precipitation of Cd and Se supersaturated solid solutions, created in MgO single crystals by ion implantation, in the temperature range between 300 °C and 1100 °C. For high-dose ion implantation, optical absorption spectroscopy revealed the presence of the ∼1.8 eV CdSe semiconductor band-edge. Small sized nanocrystals adopt the rocksalt instead of the wurtzite structure because the former fits better in the MgO matrix and results in lower interface energies. A better understanding of these structural changes and optical properties is obtained from ab-initio total energy calculations on wurtzite, zincblende and rocksalt CdSe using the VASP pseudopotential code. The calculated electronic band structures are compared of zincblende CdSe, a direct band-gap semiconductor, and rocksalt CdSe, which has an indirect optical band-gap.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 848: Symposium FF – Solid-State Chemistry of Inorganic Materials V , 2004 , FF9.27
Copyright
Copyright © Materials Research Society 2005

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References

REFERENCES

1. Tolbert, S.H. and Alivisatos, A.P., Annu. Rev. Phys. Chem. 46 (1995), 595–625.Google Scholar
2. Borelli, N.F., Photonic Applications of Semiconductor-Doped Glasses, in Semiconductor Nanocrystals – From Basics Principles to Applications, Efros, A.L., Lockwood, D.J., Tsybeskov, L. (Eds.), (Kluwer Academic / Plenum Publishers, New York, 2003), Chapter 1.Google Scholar
3. Nanu, M., Reijnen, L., Meester, B., Goossens, A., Schoonman, J., Thin Solid Films 431–432 (2003) 492.Google Scholar
4. van Huis, M.A., van Veen, A., Schut, H., Eijt, S.W.H., Kooi, B.J., and De Hosson, J. Th. M., Nucl. Instr. Meth. Phys. B 216 (2004) 121–126.Google Scholar
5. van Huis, M.A., van Veen, A., Schut, H., Eijt, S.W.H., Kooi, B.J., and De Hosson, J.Th.M., Nucl. Instr. Meth. Phys. B 218 (2004) 410–415.Google Scholar
6. van Huis, M.A., van Veen, A., Schut, H., Eijt, S.W.H., Kooi, B.J., and de Hosson, J.Th.M., Acta Materialia 53 (2005), 1305–1311.Google Scholar
7. Kresse, G. and Hafner, J., Phys. Rev. B 47 (1993), 558; 49 (1994) 14251.Google Scholar
8. Kresse, G. and Furthmüller, J., Comput. Mat. Sci. 6 (1996) 15; Phys. Rev. B 54 (1996) 11169.Google Scholar
9. Meulenberg, R.W. and Strouse, G.F., Phys. Rev. B 66 (2002), 035317.Google Scholar
10. Alonso, R.G., Suh, E.-K., Ramdas, A.K., Samarth, N., Luo, H., and Furdyna, J.K., Phys. Rev. B 40 (1989) 3720–3728.Google Scholar
11. Jaffe, J.E. and Hess, A.C., Phys. Rev. B 48 (1993), 7903–7909.Google Scholar
12. Zakharov, O., Rubio, A., and Cohen, M.L., Phys. Rev. B 51 (1995), 4926–4930.Google Scholar
13. van Huis, M.A., van Veen, A., Schut, H., Kooi, B.J., de Hosson, J.Th.M., Phys. Rev. B 67 (2003) 235409.Google Scholar
14. Benedek, R., Alavi, A., Seidman, D.N., Yang, L.H., Muller, D.A., and Woodward, C., Phys. Rev. Lett. 84 (2000) 3362–3365.Google Scholar
15. Dahmen, U., Xiao, S.Q., Paciornik, S., Johnson, E., Johansen, A., Phys. Rev. Lett. 78 (1997) 471–474.Google Scholar
16. Denison, A.B., Meulenberg, R., Eijt, S.W.H., van Veen, A., Mijnarends, P.E., Barbiellini, B., Bansil, A., Fischer, C., Weber, M.H., and Lynn, K.G., Mater. Sci. Forum 445–446 (2004) 395–397.Google Scholar