Hostname: page-component-848d4c4894-nmvwc Total loading time: 0 Render date: 2024-06-27T09:57:07.101Z Has data issue: false hasContentIssue false
  • English
  • Français

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.
Get access

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.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 364: Symposium L – High-Temperature Ordered Intermetallic Alloys–VI , 1994 , 1095
Copyright
Copyright © Materials Research Society 1995

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

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