Abstract
The electronic band structure and the total energy of SrX (X=S, Se, Te) in NaCl-type and CsCl-type structures were studied using the tight binding linear muffin-tin orbital method. The calculated ground state properties such as lattice constant and bulk modulus are in agreement with the experimental values. The transition pressures and volumes also agree well with the experimental results. The energy gap at ambient conditions were calculated. The metallization pressures and volumes have also been estimated.
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REFERENCES
For a review, see R. Pandey and S. Sivaraman, J. Phys. Chem. Sol. 52, 211 (1991).
N. Yamashita, T. Ohira, H. Mizuochi, and S. Asano, J. Phys. Soc. Jpn. 53, 419 (1984); S. Asano, N. Yamashita, and Y. Nakao, Phys. Stat. Sol. 89, 663 (1978).
Y. Nakanishi, T. Ito, Y. Hatanaka, and G. Shimaoka, Appl. Surf. Sci. 66, 515 (1992).
K. Syassen, Phys. Stat. Sol. A 91, 11 (1985).
H. Luo, R. G. Greene, and A. L. Ruoff, Phys. Rev. B 49, 15341 (1994).
H. G. Zimmer, H. Winzen, and K. Syassen, Phys. Rev. B 32, 4066 (1985).
O. K. Andersen and O. Jepsen, Phys. Rev. Lett. 53, 2571 (1984).
O. K. Andersen, Phys. Rev. B 12, 3060 (1975).
H. L. Skriver, The LMTO Method, Springer, Berlin (1984).
U. von Barth and L. Hedin, J. Phys. C 5, 1629 (1972).
O. Jepsen and O. K. Andersen, Solid State Commun. 9, 1763 (1971).
F. Birch, J. Geophys. Res. 83, 1257 (1978).
S. D. Chaturvedi, S. B. Sharma, P. Paliwal, and M. Kumar, Phys. Stat. Sol. B 156, 171 (1989).
V. S. Stepanyuk, A. Szasz, O. V. Farberovich, A. A. Grigorenko, A. V. Kozlov, and V. V. Mikhailin, Phys. Stat. Sol. B 155, 215 (1989).
K. Syassen and N. E. Christensen, H. Wizen, K. Fischer, and J. Evers, Phys. Rev. B 35, 4052 (1987).
Y. Kaneko and T. Koda, J. Cryst. Growth 86, 72 (1988).
S. T. Pantelides, Phys. Rev. B 11, 5082 (1975).
R. Pandey, J. E. Jaffe, and A. B. Kunz, Phys. Rev. B 43, 9228 (1991).
R. Pandey, P. Lepak, and J. E. Jaffe, Phys. Rev. B 46, 4976 (1992).
A. E. Carlsson and J. W. Wilkins, Phys. Rev. B 29, 5836 (1984).
S. H. Wei and H. Krakauer, Phys. Rev. Lett. 55, 1200 (1985).
A. Munoz, P. Rodriguez-Hernandez and A. Mujica, Phys. Stat. Sol. B 198, 439 (1996).
N. E. Christensen, I. Wenneker, A. Svane, and M. Fanciulli, Phys. Stat. Sol. B 198, 23 (1996).
W. Kohn and L. J. Sham, Phys. Rev. A 140, 1133 (1965).
P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981).
M. R. Norman and J. P. Perdew, Phys. Rev. B 28, 2135 (1983).
D. C. Langreth and M. J. Mehl, Phys. Rev. B 28, 1809 (1983).
N. E. Christensen, Phys. Rev. B 30, 5753 (1984).
T. Brudevoll, D. S. Citrin, N. E. Christensen, and M. Cardona, Phys. Rev. B 48, 17–128 (1993).
S. B. Trickey, A. K. Ray, and J. R. Worth, Phys. Stat. Sol. B 106, 613 (1981).
S. T. Weir, Y. K. Vohra, and A. L. Ruoff, Phys. Rev. B 35, 874 (1987).
T. A. Grzybowski and A. L. Ruoff, Phys. Rev. Lett. 53, 489 (1984).
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Banu, I.B.S., Rajagopalan, M., Palanivel, B. et al. Structural and Electronic Properties of SrS, SrSe, and SrTe Under Pressure. Journal of Low Temperature Physics 112, 211–226 (1998). https://doi.org/10.1023/A:1022685715644
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DOI: https://doi.org/10.1023/A:1022685715644