Abstract
The electronic structure and high pressure structural phase transition in cerium and lanthanum antimonides have been investigated using the tight binding LMTO method. The calculation of total energy reveals that the simple tetragonal structure is found to be stable at high pressures for both the compounds. In the case of LaSb, the calculated value of the equilibrium cell volume and the cell volume at which phase transition occurs are found to have a fairly good agreement with the experimental results. However, in the case of CeSb, the agreement is not as good as in LaSb. We also predicted the most favoured c/a value in the high pressure phase (simple tetragonal) for these compounds. Further we present the calculated results on the electronic structure of these systems at the equilibrium as well as at the reduced cell volumes. (author). 8 refs, 11 figs, 1 tab.
Citation Formats
Mathi Jaya, S, and Sanyal, S P.
Electronic structure and high pressure phase transition in LaSb and CeSb.
IAEA: N. p.,
1992.
Web.
Mathi Jaya, S, & Sanyal, S P.
Electronic structure and high pressure phase transition in LaSb and CeSb.
IAEA.
Mathi Jaya, S, and Sanyal, S P.
1992.
"Electronic structure and high pressure phase transition in LaSb and CeSb."
IAEA.
@misc{etde_10126418,
title = {Electronic structure and high pressure phase transition in LaSb and CeSb}
author = {Mathi Jaya, S, and Sanyal, S P}
abstractNote = {The electronic structure and high pressure structural phase transition in cerium and lanthanum antimonides have been investigated using the tight binding LMTO method. The calculation of total energy reveals that the simple tetragonal structure is found to be stable at high pressures for both the compounds. In the case of LaSb, the calculated value of the equilibrium cell volume and the cell volume at which phase transition occurs are found to have a fairly good agreement with the experimental results. However, in the case of CeSb, the agreement is not as good as in LaSb. We also predicted the most favoured c/a value in the high pressure phase (simple tetragonal) for these compounds. Further we present the calculated results on the electronic structure of these systems at the equilibrium as well as at the reduced cell volumes. (author). 8 refs, 11 figs, 1 tab.}
place = {IAEA}
year = {1992}
month = {Sep}
}
title = {Electronic structure and high pressure phase transition in LaSb and CeSb}
author = {Mathi Jaya, S, and Sanyal, S P}
abstractNote = {The electronic structure and high pressure structural phase transition in cerium and lanthanum antimonides have been investigated using the tight binding LMTO method. The calculation of total energy reveals that the simple tetragonal structure is found to be stable at high pressures for both the compounds. In the case of LaSb, the calculated value of the equilibrium cell volume and the cell volume at which phase transition occurs are found to have a fairly good agreement with the experimental results. However, in the case of CeSb, the agreement is not as good as in LaSb. We also predicted the most favoured c/a value in the high pressure phase (simple tetragonal) for these compounds. Further we present the calculated results on the electronic structure of these systems at the equilibrium as well as at the reduced cell volumes. (author). 8 refs, 11 figs, 1 tab.}
place = {IAEA}
year = {1992}
month = {Sep}
}