Abstract
The full-potential linear muffin-tin orbital method is used to calculate the electronic structure and cohesive energies for cubic silicon carbide doped with transition 3d metal impurities (Me=Ti, V, Cr, Mn, Fe, Co, Ni), substituting Si or C at the corresponding sublattice of the atomic matrix. It is established that all 3d impurities mainly occupy silicon sites. For the Ti → Si substitution, dopant impurity levels are located in the conduction band of SiC, whereas doping silicon carbide with other 3d impurities gives rise to additional donor or acceptor levels in the band gap. For 3C-SiC the effect of impurities on the lattice parameter (with the substitutions Me → Si) and on the impurity local magnetic moments (with the substitutions Me → Si, C) is studied.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
S. A. Reshanov, Diamond Relat. Mater. 9, 480 (2000).
R. Alexandrescu, E. Borsella, S. Botti, et al., J. Mater. Sci. 32, 5629 (1997).
Y. T. Pei, J. H. Ouyang, T. C. Lei, and Y. Zhou, Mater. Sci. Eng. A 194, 219 (1995).
Y. Q. Zhu, W. B. Hu, W. K. Hsu, et al., J. Mater. Chem. 9, 3173 (1999).
N. T. Son, A. Ellison, B. Magnusson, et al., J. Appl. Phys. 86, 4348 (1999).
N. Theodoropoulou, A. F. Hebart, S. N. G. Chu, et al., Electrochem. Solid-State Lett. 4, G119 (2001).
R. F. Sabiryanov, A. L. Ivanovskii, and G. P. Shveikin, Zh. Neorg. Khim. 38, 1572 (1993).
H. Overhof, Mater. Sci. Forum 258, 677 (1997).
K. O. Barbosa, W. V. M. Machado, and L. V. C. Assali, Physica B (Amsterdam) 308–310, 726 (2001).
N. I. Medvedeva, Zh. I. Gertner, V. V. Kraskovskaya, et al., Neorg. Mater. 31, 55 (1995).
V. A. Gubanov, C. Boekema, and C. Y. Fong, Appl. Phys. Lett. 78, 216 (2001).
N. I. Medvedeva, É. I. Yur’eva, and A. L. Ivanovskii, Fiz. Tekh. Poluprovodn. (St. Petersburg) 36, 805 (2002) [Semiconductors 36, 751 (2002)].
É. I. Yur’eva and A. L. Ivanovskii, Zh. Strukt. Khim. 43, 220 (2002).
M. Methfessel and M. Scheffler, Physica B (Amsterdam) 172, 175 (1991).
S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 58, 1200 (1980).
W. B. Pearson, Crystal Chemistry and Physics of Metals and Alloys (Wiley, New York, 1972; Mir, Moscow, 1977).
A. R. Lubinsky, D. E. Ellis, and G. S. Painter, Phys. Rev. B 11, 1537 (1975).
K. J. Chang and M. L. Cohen, Phys. Rev. B 35, 8196 (1987).
M. Causa, R. Dovesi, and C. Roetti, Phys. Rev. B 43, 11937 (1991).
Author information
Authors and Affiliations
Additional information
__________
Translated from Fizika i Tekhnika Poluprovodnikov, Vol. 37, No. 11, 2003, pp. 1281–1284
Original Russian Text Copyright © 2003 by Medvedeva, Yur’eva, Ivanovski\(\overset{\lower0.5em\hbox{$\smash{\scriptscriptstyle\smile}$}}{l} \).
Rights and permissions
About this article
Cite this article
Medvedeva, N.I., Yur’eva, E.I. & Ivanovskii, A.L. Electronic structure of cubic silicon carbide with substitutional 3d impurities at Si and C sites. Semiconductors 37, 1243–1246 (2003). https://doi.org/10.1134/1.1626200
Received:
Accepted:
Issue Date:
DOI: https://doi.org/10.1134/1.1626200