Electronic structure and high pressure phase transition in LaSb and CeSb |
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Authors: | Sankar P Sanyal S Mathi Jaya |
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Institution: | (1) International Centre for Theoretical Physics, P.O. Box No. 586, Trieste, Italy;(2) Present address: Department of Physics, Bhopal University, 462 026 Bhopal, India;(3) Present address: Department of Physics, Anna University, 600 025 Madras, India |
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Abstract: | The electronic structure and high pressure structural phase transition in lanthanum and cerium antimonides have been investigated
using the tight binding LMTO method. Calculation of the total energy reveals that the simple tetragonal structure is stable
at high pressure for both the compounds. In LaSb, the calculated values of the equilibrium cell volume and the cell volume
at which phase transition occurs agree with the experimental results. However, in CeSb, the agreement is not so good. We have
also predicted the most favouredc/a value in the simple tetragonal phase for these compounds. Further, we present the calculated results on the electronic structure
of these systems at the equilibrium as well the reduced cell volumes. |
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Keywords: | Electronic structure high pressure phase transition lanthanum antimonide cerium antimonide |
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