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Structural Phase Stability of ThSb Under Pressure

Published online by Cambridge University Press:  22 February 2011

B. Palanivel,
G. Kalpana and
M. Rajagopalan
B. Palanivel
Affiliation:
SRM Engineering College, Department of Physics, Kattankulathur - 603 203, Tamil Nadu, India.
G. Kalpana
Affiliation:
Anna University, Department of Physics, Madras-600 025, India.
M. Rajagopalan
Affiliation:
Anna University, Department of Physics, Madras-600 025, India.
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Abstract

The electronic structure and high pressure structural phase transition in thorium antimonide have been investigated using the tight binding LMTO method. We have calculated the total energies by reducing the cell volume for NaCl as well as CsCl structures using TBLMTO method. The total energy calculations reveal that ThSb undergoes a structural transition from NaCl to CsCl structure at 78 kbar. The calculated value of equilibrium cell volume and the cell volume at which phase transition occurs are found to have a good agreement with the experimental results.

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References

1. Brooks, M.S.S., Johanson, B., Skriver, H.L., in Hand Book of Physics and Chemistry of Actinides, Edited by Freeman, A.J. and Landers, G.H. (Elsevier, Amsterdam, 1984) p 154.Google Scholar
2. Gerward, L., Olsen, J.S., Benedict, U., Dabos, S., Luo, H., Paul Itie, Jean and Vogt, O., High Temperature and high pressure 20, 545 (1988).Google Scholar
3. Andersen, O.K., Jepsen, O. and Sob, M. in Electronic band structure and its application, Edited by Yousuf, M. (Springer Verlag, Berlin 1987).Google Scholar
4. Bose, S.K., Kudrnovsky, T.K., Mazin, I.I. and Andersen, O.K., Phys, Rev. B 41, 7988 (1990).Google Scholar
5. Andersen, O.K. in Workshop on Methods of Electronic structure calculations ICTP (Trieste, August 10–21 1992).Google Scholar
6. Andersen, O.K., Phys, Rev. B 12, 3060 (1975)Google Scholar
7. von Barth, U. and Hedin, L. J. Phys. C 5, 1629 (1972).Google Scholar
8. Benedict, U., Dabos-Seignon, S., Dancausse, J.P., Gensini, M., Gering, E., Heathman, S. and Luo, H., Journal of Alloys and Compounds, 181, 1 (1992).Google Scholar