Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Authors : Hamdi DAĞISTANLI, R Haluk MUTLU

Pages : 269-273

View : 19 | Download : 11

Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :The partial occupation numbers and density of states insert ignore into journalissuearticles values(DOS);, and the total DOS at the Fermi level are calculated as a function of reduced atomic volume for bcc and fcc alkali metals employing the linear-muffin-tin-orbital insert ignore into journalissuearticles values(LMTO); method. By means of the abrupt changes obtained in the partial and total DOS values at the Fermi level, good agreement with regard to experiment were found in predicting the bcc-fcc transition volumes of the alkali metals.
Keywords : Pressure, Phase Transformations, Alkali Metals, Electronic Structure Calculations, LMTO Method