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Unified study of alkaline earth metal
Authors:Suratna Das  A Sarkar
Institution:(1) Physics Department, Presidency College, 700 073 Calcutta, India
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.
Keywords:Pseudopotential  unified study  phonon frequency  alkaline earth metal  second-order elastic constants  calcium  strontium  barium
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