Exotic multi-gap structure in UPt3_3 unveiled by the first-priniciples analysis

preprint2016arXivOpen access

Abstract

A heavy-fermion superconductor UPt3_3 is a unique spin-triplet superconductor with multiple superconducting phases. Here we provide the first report on the first-principles analysis of the microscopic superconducting gap structure. We find that the promising gap structure is an unprecedented E2uE_{2u} state, which is completely different from the previous phenomenological E2uE_{2u} models. Our obtained E2uE_{2u} state has in-plane twofold vertical line nodes on small Fermi surfaces and point nodes with linear dispersion on a large Fermi surface. These peculiar features cannot be explained in the conventional spin 1/21/2 representation, but is described by the group-theoretical representation of the Cooper pairs in the total angular momentum j=5/2j=5/2 space. Our findings shed new light on the long-standing problems in the superconductivity of UPt3_3

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