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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
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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

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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