Unified study of alkaline earth metal |
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Authors: | Suratna Das A Sarkar |
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Institution: | (1) Physics Department, Presidency College, 700 073 Calcutta, India |
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Abstract: | A comprehensive unified study of fcc alkaline earth metal Ca, Sr and the bcc phase of Sr and Ba has been made. Properties
studied include equilibrium lattice parameter, total crystal energy, second order elastic constants, pressure derivative of
the second order elastic constants and phonon spectrum in the symmetry direction. The results obtained show an overall agreement
with experiment. The results partially reproduced the experimentally observed phonon-crossover in Ba, and this has been found
as the many-body effect in lattice dynamics. |
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Keywords: | Pseudopotential unified study phonon frequency alkaline earth metal second-order elastic constants calcium strontium barium |
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