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Is Li2Pd3B a self-doped hole superconductor?

2004; Elsevier BV; Volume: 411; Issue: 3-4 Linguagem: Inglês

10.1016/j.physc.2004.07.003

1873-2143

M. Sardar, Debanand Sa,

Rare-earth and actinide compounds

We propose that the electrons responsible for superconductivity in Li2Pd3B come from the palladium 4d-electrons. So, its electronic properties are likely to be dominated by strong electronic correlations. The basic unit in this material are Pd$_6$B octahedra which share vertices to form a 3-dimensional network. Due to the highly distorted nature of the Pd$_6$B octahedron, one far stretched Pd atom per octahedra becomes almost inactive for electronic conduction. Thus, the material escapes the fate of becoming a half- filled insulating Mott antiferromagnet by hiding extra charges at these inactive Pd sites and becomes a self-doped correlated metal. We propose a 3-dimensional single band t-J model which could be the correct minimal model for this material.