Abstract
A high-pressure Mössbauer spectrometer for the 93.3-keV resonance in67Zn and an X-ray diffractometer of the Guinier type are used to investigate67ZnSe powder at high external pressures. At ∼ 13 GPa, a phase transition from the zinc blende to the fcc (NaCl) structure is observed. The transition is accompanied by a 15.2% decrease of the volume of the unit cell. The Lamb-Mössbauer factor (LMF) increases fromf=0.53% at ambient pressure tof=1.07% at 6.1 GPa. It thendecreases tof=0.91% as the pressure is further increased to 8.2 GPa. This behavior is investigated by lattice-dynamical calculations using an 11-parameter rigid-ion model. The decrease of the LMF at high pressures is caused by the softening of the TA phonon modes, which occurs already far below the phase transition. The s-electron density ρ(0) at the67Zn nucleus increases with reduced volume. The change of ρ(0) as well as theoretical Hartree-Fock cluster calculations show that covalency of bonding 4s/4p states of Zn and Se plays an essential role and determines the isomer shift.
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References
J.A. Majewski and P. Vogl, Phys. Rev. Lett. 57(1986)1366; Phys. Rev. B35(1987)9666.
M. Causa, R. Dovesi, C. Pisani and C. Roetti, Phys. Rev. B33(1986)1308.
K.J. Chang and M.L. Cohen, Phys. Rev. B30(1984)4774.
J.E. Jaffe, R. Pandey and M.J. Seel, Phys. Rev. B47(1993)6299.
P. Schröer, P. Krüger and J. Pollmann, Phys. Rev. B47(1993)6971.
A. Dal Corso, S. Baroni, R. Resta and S. de Gironcoli, Phys. Rev. B47(1993)6971.
A. Svane and E. Antonçik, Phys. Rev. B33(1986)7462.
J.E. Jaffe, R. Pandey and A.B. Kunz, Phys. Rev. B43(1991)14030.
D.W. Mitchell, S.B. Sulaiman, N. Sahoo, T.P. Das, W. Potzel and G.M. Kalvius, Phys. Rev. B44(1991)6728.
W. Potzel, W. Adlassnig, J. Moser, C. Schäfer, M. Steiner and G.M. Kalvius, Phys. Rev. B39(1989)8236.
W. Adlassnig, W. Potzel, J. Moser, C. Schäfer, M. Steiner and G.M. Kalvius, Nucl. Instr. Meth. A277(1989)485, and references therein.
W. Potzel, High Pressure Res. 2(1990)367.
H. Karzel, U. Potzel, W. Potzel, J. Moser, C. Schäfer, M. Steiner, M. Peter, A. Kratzer and G.M. Kalvius, Mater. Sci. Forum 79–82(1991)419.
W. Potzel, Th. Obenhuber, A. Forster and G.M. Kalvius, Hyp. Int. 12(1982)135.
C. Schäfer, W. Potzel, W. Adlassnig, P. Pöttig, E. Ikonen and G.M. Kalvius, Phys. Rev. B37(1988)7247.
G. Huber, K. Syassen and W.B. Holzapfel, Phys. Rev. B15(1977)5123.
M. Köfferlein, Diploma Thesis, Physik-Department E15, Technische Universität München (1993).
D.N. Talwar, M. Vendevyver, K. Kunc and M. Zigone, Phys. Rev. B24(1981)741.
B.A. Weinstein, Solid State Commun. 24(1977)595.
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Köfferlein, M., Karzel, H., Potzel, W. et al. High-pressure phase transition in ZnSe. Hyperfine Interact 93, 1505–1510 (1994). https://doi.org/10.1007/BF02072900
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DOI: https://doi.org/10.1007/BF02072900