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Plane-wave pseudopotential study on mechanical and electronic properties for group III-V binary phases

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The result of first-principles density functional calculations of the bulk modulus and related structural and electronic properties of the total 25 group III-V binary phases with zinc-blende and wurtzite structures are presented. The behavior of energy band structure variation under high pressures is also studied. It is found that the bulk modulus is more sensitive to the local atom configuration than the lattice structure. The crystallographic geometry plays an important role in the electronic property of these phases.

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References

  1. V. Milman, B. Winkler, J. A. White, C. J. Pickard, M. C. Payne, E. V. Akhmatskaya and R. H. Nobes, Inter. J. Quan. Chem. 77, 895 (2000).

    Article  CAS  Google Scholar 

  2. X. Gonze, J. M. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. M. Rignanese, L. Sindic, M. Verstraete, G. Zerah, F. Jollet, M. Torrent, A. Roy, M. Mikami, P. Ghosez, J. Y. Raty and D. C. Allan, Comp. Mater. Sci. 25, 478 (2002).

    Article  Google Scholar 

  3. C. Hartwigsen, S. Goedecker, J. Hutter, Phys. Rev. B 58, 3641 (1998).

    Article  CAS  Google Scholar 

  4. S. Q. Wang and H. Q. Ye, J. Phys.: Condens. Matter 14, 9579 (2002).

    CAS  Google Scholar 

  5. S. Q. Wang and H. Q. Ye, Phys. Rev. B (in press).

  6. F. D. Murnaghan, Proc. Natl. Acad. Sci. USA 30, 244 (1944).

    Article  CAS  Google Scholar 

  7. K. H. Hellwege, O. Madelung, Semiconductor Physics of Group IV elements and III-V compounds, New series, Group III, Vol. 17, Pt. a (Springer, Berlin, 1982).

  8. J. H. Edgar, Properties of Group III Nitrides, Electronic Materials Information Service (EMIS) Datareviews Series (Institution of Electrical Engineers, London, 1994).

  9. T. Lei, T. D. Moustakas, R. J. Graham, Y. He, S. J. Berkowitz, J. Appl. Phys. 71, 4933 (1992).

    Article  CAS  Google Scholar 

  10. M. Levinstein, S. Rumyantsev, M. Shur, Handbook Series on Semiconductor Parameters, Vol. 1,2 (World Scientific, London, 1999).

  11. S. Strite, J. Ruan, D. J. Smith, J. Sariel, N. Manning, H. Chen, Bull. Am. Phys. Soc. 37 346 (1992).

  12. S. Strite, H. Morkoc, J. Vac. Sci. Technol. B 10 1237 (1992).

  13. M. Levinshtein, S. Rumyantsev, M. Shur, Handbook Series on Semiconductor Parameters, vol.1 (World Scientific, London, 1996).

  14. R. Jeanloz, Phys. Rev. B 38, 805 (1988).

    Article  CAS  Google Scholar 

  15. M. S. Hybertsen and S. G. Louie, Phys. Rev. 34, 5390 (1986).

    Article  CAS  Google Scholar 

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  1. Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, 72 Wenhua Road, 110016, Shenyang, P. R. China

    S. Q. Wang & H. Q. Ye

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  1. S. Q. Wang
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  2. H. Q. Ye
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Wang, S.Q., Ye, H.Q. Plane-wave pseudopotential study on mechanical and electronic properties for group III-V binary phases. MRS Online Proceedings Library 743, 1138 (2002). https://doi.org/10.1557/PROC-743-L11.38

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  • DOI: https://doi.org/10.1557/PROC-743-L11.38

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