Relativistic theory of indirect nuclear spin-spin coupling

被引：2

作者：

Ebert, H. ^{[1
]}

机构：

[1] Univ Munich, Dept Chem & Biochem Phys Chem, D-81377 Munich, Germany

来源：

PHILOSOPHICAL MAGAZINE | 2008年 / 88卷 / 18-20期

关键词：

hyperfine interaction; spin-spin coupling; relativistic effects; electronic structure;

D O I：

10.1080/14786430802375659

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A fully relativistic theory of indirect nuclear spin-spin coupling is presented that is based on the Green's function formalism. Implementation by the use of the multiple scattering or Korringa-Kohn-Rostoker (KKR) method leads to a very flexible and numerically efficient approach. Results obtained for fcc-Cu are found in full accordance with previous non- or scalar-relativistic calculations and show essentially the behaviour expected from Ruderman-Kittel theory for free-electron-like systems. Results for Ag and Au are represented, in addition, to demonstrate the impact of relativistic effects.

引用

页码：2673 / 2681

页数：9

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