Hostname: page-component-586b7cd67f-t7fkt Total loading time: 0 Render date: 2024-11-25T17:50:55.848Z Has data issue: false hasContentIssue false
  • English
  • Français

Modeling of the Properties of Dopants in the NLO Semiconductor CdGeAs2

Published online by Cambridge University Press:  10 February 2011

Ravindra Pandey ,
Melvin C. Ohmer ,
A. Costales  and
J. M. Recio
Ravindra Pandey
Affiliation:
Michigan Technological University, Houghton, MI ([email protected]).
Melvin C. Ohmer
Affiliation:
Air Force Research Laboratory, Wright Patterson AFB, OH.
A. Costales
Affiliation:
Universidad de Oviedo, Oviedo, Spain.
J. M. Recio
Affiliation:
Universidad de Oviedo, Oviedo, Spain.
Get access

Abstract

The results of a shell-model study on CdGeAs2 doped with Cu, Ag, B, Al, Ga, and In are presented here. The pairwise interatomic potential terms representing the interaction of dopants with the host lattice ions are derived using first principle methods while empirical fitting methods are used for the host-lattice potentials. Defect calculations based on Mott-Littleton methodology predict small binding energies for Cu and Ag substituting Cd in the lattice which are in agreement with the available experimental data. The group III dopants (i.e. B, Al, Ga and In) at the Ge site are predicted to have large binding energies for a hole placing acceptor levels in the middle of the band gap.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 607: Symposium OO – Infrared Applications of Semiconductors III , 1999 , 471
Copyright
Copyright © Materials Research Society 2000

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1 Ohmer, M. C. and Pandey, R., Special Issue on Chalcopyrites, MRS Bulletin, 23, 43 (1998)Google Scholar
2 Byer, R. L., Kildal, H., and Feigelson, R. S., Appl. Phys. Lett. 19, 237 (1971); H. Kildal, AFML-TR-72-277 (1972). Government technical report available from NTIS, #AD739556.Google Scholar
3 Boyd, G. D., Buehler, E., Storz, F., and Wernick, J. H., IEEE J. Quantum Electron. QE-8,419 (1972).Google Scholar
4 Dmitriev, V. G., Gurzadayan, G. G., and Nikogosyan, D. N., Handbook of Nonlinear Optical Crystals, (Springer-Verlag, New York, Berlin, Heidelburg, 1991 & 1997 for Revised Edition).Google Scholar
5 Fischer, D. W., Ohmer, M. C. and McCrae, J. E., J. Appl. Phys. 81, 3579 (1997).Google Scholar
6 Rud, V. Yu. and Rud, Yu. V., Jpn. J. Appl. Phys., Suppl. 32.3, 672 (1993).Google Scholar
7 Brudnyi, V. N., Krivov, M. A., Potapov, A. I., Polushina, IO. K., Prochukhan, V. D., Run, Yu. V., Phys. Stat. Sol. (a) 49, 761 (1978).Google Scholar
8 Halliburton, L. E., Edwards, G. J., Schunemann, P. G. and Pollak, T. M., J. Appl. Phys. 77,435 (1995).Google Scholar
9 Smith, S. R., Evwaraye, A. O. and Ohmer, M. C., MRS Symp Proc 484, 581 (1998).Google Scholar
10 Bairamov, B. H., Rud’, V. Yu. and Rud’, Yu. V., MRS Bulletin, 23, 43 (1998).Google Scholar
11 Pandey, R., Ohmer, M. C. and Gale, J. D., J. Phys. Condens Matter 10, 5525 (1998).Google Scholar
12 Zapol, p., Pandey, R., Seel, M., Recio, J. M. and Ohmer, M. C., J. Phys. Condens Matter 11, 4517 (1999).Google Scholar
13 Kizler, p., He, J., Clarke, D. R. and Kenway, P. R., J. Am. Ceram. Soc. 79, 3 (1996).Google Scholar
14 Zapol, p., Pandey, R. and Gale, J. D., J. Phys.: Condens Matter 9, 9517 (1997).Google Scholar
15 Zapol, p., Pandey, R., Ohmer, M., and Gale, J. D., J. Appl. Phys. 79, 671 (1996).Google Scholar
16 Pandey, R., Ohmer, M. C., Costales, A., and Recio, J. M., MRS Symp Proc 484, 525 (1998).Google Scholar
17 Dick, B. G. and Overhauser, A. W., Phys. Rev. 112, 90 (1958).Google Scholar
18 Francisco, E., Recio, J. M., Blanco, M. A., Pendas, A. Martin and Pueyo, L., Phys. Rev. B 51, 2703 (1995).Google Scholar
19 Gorden, R. G. and Kim, Y. S., J. Chem. Phys. 56, 3122 (1972).Google Scholar
20 Luana, V. and Pueyo, L., Phys. Rev. B 41, 3800 (1990).Google Scholar
21 Clementi, E. and Roetti, C., At. Nucl. Data Tables 14, 177 (1974).Google Scholar
22 Gale, j. D., Phil. Mag. B73, 3 (1996); J. D. Gale, JCS Faraday Trans 93, 629 (1997).Google Scholar
23 Catlow, C. R. A. and Mackrodt, W. C., Computer Simulations of Solids (Springer, Berlin, 1982).Google Scholar
24 Borshchevskii, A. S., Goryunova, N. A., Osmanov, E. O., Polushina, I. K., Royenkov, N. D. and Smirnova, A. D., Materials Sci. Eng. 3, 118 (1968).Google Scholar
25 Podol’skii, V. V., Karpovich, I. A., Zvonkov, B. N. and Kolosov, E. E., Sov. Phys. Semicond. 11, 1082 (1977).Google Scholar