Hostname: page-component-669899f699-qzcqf Total loading time: 0 Render date: 2025-04-28T01:16:12.610Z Has data issue: false hasContentIssue false
  • English
  • Français

Electronic Structure of Wide-Band-Gap Chalcopyrites

Published online by Cambridge University Press:  25 February 2011

A. Petukhov ,
W. R. L. Lambrecht  and
B. Segall
A. Petukhov
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
W. R. L. Lambrecht
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
B. Segall
Affiliation:
Department of Physics, Case Western Reserve University, Cleveland, OH 44106–7079
Get access

Abstract

Electronic band structures, equilibrium lattice constants and structural parameters, cohesive energies, and bulk moduli calculated by means of the linear-muffin-tin orbital method are presented for BeSiN2, MgSiN2 and MgSiP2 chalcopyrites. The relationships of these compounds to the “parent” III-V compounds are clarified.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 281: Symposium D – Semiconductor Heterostructures for Photonic and Electronic Applications , 1992 , 781
Copyright
Copyright © Materials Research Society 1993

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.)

Article purchase

Temporarily unavailable

References

REFERENCES

1. Wide Band Gap Semiconductors, edited by Moustakas, T. D., Pankove, J. I., and Hamakawa, Y., Mater. Res. Soc. Symp. Proc. Vol 242, (MRS, Pittsburg, 1992).Google Scholar
2. Xing, G. C., Bachmann, K. J., Posthill, J. B., and Timmons, M. L., in diamond, Silicon Nitride, and Related Wide Bandgap Semiconductors, edited by Glass, J. T., Messier, R., and Fujimori, N., Mater. Res. Soc. Symp. Proc. Vol 162, (MRS, Pittsburg, 1989), p. 615, and refs. therein.Google Scholar
3. Levine, B. F., Phys. Rev. B 7, 2600 (1973).Google Scholar
4. Alerhand, O., Meade, R. D., Arias, T., and Joannopoulos, J. D., Bull. Am. Phys. Soc. 37, 665. abstract 025.2(1992).Google Scholar
5. Lambrecht, W. R. L. and Segall, B., Phys. Rev. B 45, 1485 (1992).Google Scholar
6. Jaffe, J. E. and Zunger, A., Phys. Rev. B 29, 1882 (1984).Google Scholar
7. Continenza, A., Massida, S., Freeman, A. J., de Pascale, T. M., Meloni, F., and Serra, M., Phys. Rev. B 46, 10070 (1992).Google Scholar
8. Hohenberg, P. and Kohn, W., Phys. Rev. 136, B864 (1964);Google Scholar
Kohn, W. and Sham, L. J. Phys. Rev. B 140, A1133 (1965).Google Scholar
9. Hedin, L. and Lundqvist, B. I., J. Phys. C 4, 2064 (1971).Google Scholar
10. For a recent account, see Andersen, O. K., Jepsen, O., and Sob, M., in Electronic Band Structure and its Applications, edited by Yussouff, M., (Springer, Heidelberg, 1987).Google Scholar
11. Originally introduced by Glötzel, D. and Andersen, O.K., unpublished;Google Scholar
see Ref. [10] and Christensen, N. E. and Satpathy, S., Phys. Rev. Lett. 55, 600 (1985) and refereces therein.Google Scholar
12. Vaipolin, A. A., Fiz. Tverd. Tela 15, 1430 (1973) [Sov. Phys. Solid State 15, 965 (1973)]Google Scholar
13. Rose, J. H., Smith, J. R., Guinea, F. and Ferrante, J., Phys. Rev. B 29, 2963 (1984).Google Scholar
14. Lambrecht, W. R. L. and Segall, B., in Ref.[l], p. 367;Google Scholar
Lambrecht, W. R. L. and Segall, B., Phys. Rev. B 43, 7070 (1991).Google Scholar