Kondo-lattice-like effects of hydrogen in transition metals

被引:83
|
作者
Eder, R
Pen, HF
Sawatzky, GA
机构
[1] Department of Solid State Physics, Materials Science Centre, University of Groningen
来源
PHYSICAL REVIEW B | 1997年 / 56卷 / 16期
关键词
D O I
10.1103/PhysRevB.56.10115
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We discuss the possibility of a Kondo-like effect associated with H in metals, resulting from the strong dependence of the H 1s orbital radius on the occupation number. We demonstrate that such a strong breathing property of the orbital radius, which translates directly into a strong occupation-dependent hopping, results in the formation of local singletlike bound states involving one electron on H and one on the surrounding metal orbitals. We also show that already at a mean-field level an occupation-dependent hopping integral leads to a substantial potential-energy Correction on hydrogen, and that the failure of band-structure methods to incorporate this correction is responsible for the incorrect prediction of a metallic ground state for the YH3 switchable mirror compounds. [S0163-1829(97)06739-8].
引用
收藏
页码:10115 / 10120
页数:6
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