Ab initio relativistic spin-polarized theory of angle-resolved photoemission

被引：2
|
作者：
Woods, M [1 ]
Ernst, A
Strange, P
Temmerman, WM
机构：
[1] Univ Keele, Dept Phys, Keele ST5 5BG, Staffs, England
[2] SERC, Daresbury Lab, Warrington WA4 4AD, Cheshire, England
[3] Max Planck Inst Mikrostrukturphys, D-06120 Halle Saale, Germany
来源：
JOURNAL OF PHYSICS-CONDENSED MATTER | 2001年 / 13卷 / 38期
关键词：
D O I：
10.1088/0953-8984/13/38/306
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
An ab initio real-space fully relativistic spin- and angle-resolved photoemission theory has been developed. The method is based on density functional theory and implemented using multiple-scattering theory with a Green's function calculated using a real-space cluster method. An efficient computer code has been developed to calculate the spectra. Interpretation of the results reveals the signatures of relativity in the photoemission spectra, and indicates what photoemission can tell us about relativistic effects in the band structure. We illustrate our theory and code by presenting results for transition metal surfaces.
引用
收藏
页码：8607 / 8624
页数：18
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