Calculated Pressure Induced BCC-FCC Phase Transitions in Alkali Metals

Turkish Journal of Physics

HAMDİ DAĞISTANLI¹ 

关键词: Pressure;    Phase Transformations;    Alkali Metals;    LMTO Method;   

DOI  :  

学科分类：物理（综合）

来源: Scientific and Technical Research Council of Turkey - TUBITAK

【 摘 要 】

The partial occupation numbers and density of states (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 (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.

【 授权许可】

Unknown