Infrared Polarizabilities of 3d-Transition and Rare-Earth Metals

• 作者: Kofi Nuroh
• 来源期刊: 现代物理(英文)
• 学科: 化学
• 关键词: INFRARED Polarizability JELLIUM TRANSITION METALS Rare-Earth METALS Electron SELF-INTERACTION Correction
• 年，卷（期）: 2018,（2）
• 页码范围: 287-301
• 页数: 15页
• 分类号: O6

摘要

A transition or rare-earth metal is modeled as the atom immersed in a jellium at intermediate electron gas densities specified by? rs=4.0. The ground states of the spherical jellium atom are constructed based on the Hohenberg-Kohn-Sham density-functional formalism with the inclusion of electron-electron self-interaction corrections of Perdew and Zunger. Static and dynamic polarizabilities of the jellium atom are deduced using time-dependent linear response theory in a local density approximation as formulated by Stott and Zaremba. The calculation is extended to include the intervening elements In, Xe, Cs, and Ba. The calculation demonstrates how the Lindhard dielectric function can be modified to apply to non-simple metals treated in the jellium model.