Hostname: page-component-cd9895bd7-p9bg8 Total loading time: 0 Render date: 2024-12-27T02:39:48.046Z Has data issue: false hasContentIssue false
  • English
  • Français

Theoretical Study of a new Transition Sequence in III-V Compounds: High-Pressure Phases of InSb

Published online by Cambridge University Press:  16 February 2011

Alberto García ,
Marvin L. Cohen  and
S. B. Zhang
Alberto García
Affiliation:
Department of Physics, University of California, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
Marvin L. Cohen
Affiliation:
Department of Physics, University of California, and Materials and Chemical Sciences Division, Lawrence Berkeley Laboratory, Berkeley, CA 94720
S. B. Zhang
Affiliation:
Xerox Palo Alto Research Center, 3333 Coyote Hill Road, Palo Alto, CA 94304
Get access

Abstract

A detailed study of the pressure-induced phase transitions at zero temperature in InSb up to 40 GPa using a first-principles pseudopotential total-energy method is presented. In addition to InSb(I) (cubic) and (II) (polar β-Sn), we identify InSb(III) as a hexagonal phase (found earlier for GaSb) and (VI) as a polar bcc phase in agreement with recent experiments. New structural models, orthorhombic polar β-Sn and body-centered orthorhombic, are proposed as candidates for the InSb(IV) and (V) phases based on total-energy minimizations. These findings are compared with recent results for GaAs to illustrate the trends in transition paths among III-V compounds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 89
Copyright
Copyright © Materials Research Society 1990

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

REFERENCES

[1] Banus, M.D., Hanneman, R.E., Mariano, A.N., Warekois, E.P., Gatos, H.C., and Kafalas, J.A., Appl. Phys. Lett. 2, 35 (1963)Google Scholar
[2] Kasper, J.S. and Brandhorst, H., J. Chem. Phys. 41, 3768 (1964)Google Scholar
[3] Yu, S.C., Spain, I.L., and Skelton, E.F., J. Appl. Phys. 49, 4741 (1978)Google Scholar
[4] Banus, M.D. and Lavine, M.C., J. Appl. Phys. 38, 2042 (1967)Google Scholar
[5] Martin, J.E. and Smith, P.L., Brit. J. Appl. Phys. 16, 495 (1965)Google Scholar
[6] Shindo, K., Kobayashi, T., and Nara, H., J. Phys. Soc. Japan 50, 2274 (1981)Google Scholar
[7] Banus, M.D. and Lavine, M.C., J. Appl. Phys. 40, 409 (1969)Google Scholar
[8] Vanderborgh, C.A., Vohra, Y.K., and Ruoff, A.L., Phys. Rev. B 40, 12450 (1989)Google Scholar
[9] Weir, S.T., Vohra, Y.K., Vanderborgh, C.A., and Ruoff, A.L., Phys. Rev. B 39, 1280 (1989)Google Scholar
[10] Zhang, S.B. and Cohen, Marvin L., Phys. Rev. B 35, 7604 (1987)Google Scholar
[11] Zhang, S.B. and Cohen, M.L., Phys. Rev. B 39, 1450 (1989)Google Scholar
[12] Cohen, M.L., Phys. Scr. T 1, 5 (1982); Science 234, 549 (1986)Google Scholar
[13] Kleinman, L., Phys. Rev. B 21, 2630 (1980)Google Scholar
[14] Singh, D. and Varshni, Y.P., Phys. Rev. B 32, 6610 (1985)Google Scholar
[15] Ihm, J., Zunger, A., and Cohen, M.L., J. Phys. C 12, 4409 (1979); 13, 3095(E) (1980)Google Scholar
[16] The correlation data used are from Ceperley, D.M. and Alder, B.I., Phys. Rev. Lett. 45, 566 (1980) as parametrized in J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981)Google Scholar
[17] Kohn, W. and Sham, L.J., Phys. Rev. 140, A1133 (1965)Google Scholar
[18] Birch, F., J. Geophys. Res. 83, 1257 (1978)Google Scholar
[19] Froyen, S. and Cohen, M.L., Phys. Rev. B 28, 3258 (1983)Google Scholar
[20] Phillips, J.C., Bonds and Bands in Semiconductors, (Academic, New York, 1973), p.42 Google Scholar
[21] Needs, R.J. and Martin, R.M., Phys. Rev. B 30, 5390 (1984)Google Scholar
[22] Desgreniers, S., Vohra, Y.K., and Ruoff, A.L., Phys. Rev. B 39, 10359 (1989)Google Scholar
[23] Chelikowsky, J.R. and Burdett, J.K., Phys. Rev. Lett. 56, 961 (1986)Google Scholar
[24] Chelikowsky, J.R., Phys. Rev. B 35, 1174 (1987)Google Scholar
[25] Harrison, W.A., Electronic Structure and the Properties of Solids, (Freeman, San Francisco, 1980), p. 41.Google Scholar