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arXiv 0905.3581cond-mat.str-elcond-mat.mtrl-sci
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完全库仑相互作用矩阵对近藤问题的关联:Cu(111)上的Co杂质

Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)

E. Gorelov, T. O. Wehling, A. N. Rubtsov, M. I. Katsnelson, A. I. Lichtenstein

摘要:

考虑到Co原子的关联效应,精确计算了铜基质中钴杂质Kondo原型系统的电子结构。利用最近发展的连续时间QMC技术,可以用一个完整的四指数库仑相互作用矩阵来描述近藤共振。这为近藤温度的完全第一性原理计算开辟了一条道路。我们已经证明,一个标准的做法,使用截断哈伯德哈密顿考虑近藤物理量可能是不够的。

英文摘要:

The electronic structure of a prototype Kondo system, a cobalt impurity in a copper host is calculated with accurate taking into account of correlation effects on the Co atom. Using the recently developed continuous-time QMC technique, it is possible to describe the Kondo resonance with a complete four-index Coulomb interaction matrix. This opens a way for completely first-principle calculations of the Kondo temperature. We have demonstrated that a standard practice of using a truncated Hubbard Hamiltonian to consider the Kondo physics can be quantitatively inadequate.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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