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Materials Data on LiFeP by Materials Project

LiFeP is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Li1+ is bonded in a 5-coordinate geometry to five equivalent P3- atoms. There are one shorter (2.61 Å) and four longer (2.74 Å) Li–P bond lengths. Fe2+ is bonded to four equivalent P3- atoms to form a mixture of corner and edge-sharing FeP4 tetrahedra. All Fe–P bond lengths are 2.21 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on LiFeP by Materials Project

LiFeP crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Li1+ is bonded in a 10-coordinate geometry to five equivalent Fe2+ and five equivalent P3- atoms. There are one shorter (2.53 Å) and four longer (2.58 Å) Li–Fe bond lengths. There are four shorter (2.52 Å) and one longer (2.63 Å) Li–P bond lengths. Fe2+ is bonded in a 4-coordinate geometry to five equivalent Li1+ and four equivalent P3- atoms. All Fe–P bond lengths are 2.25 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Li1+ and four equivalent Fe2+ atoms.

36 MATERIALS SCIENCE↗

Pseudospin-triplet pairing in iron-chalcogenide superconductors

Abstract Understanding the pairing symmetry is a crucial theoretical aspect in the study of unconventional superconductivity for interpreting experimental results. Here we study superconductivity of electron systems with both spin and pseudospin-1/2 degrees of freedom. By solving linearized gap equations, we derive a weak coupling criterion for the even-parity spin-singlet pseudospin-triplet pairing. It can generally mix with the on-site s -wave pairing since both of them belong to the same symmetry representation ( A 1 g ) and their mixture could naturally give rise to anisotropic intra-band pairing gap functions with or without nodes. This may directly explain why some of the iron-chalcogenide superconductors are fully gapped (e.g. FeSe thin film) and some have nodes (e.g. LaFePO and LiFeP). We also find that the anisotropy of gap functions can be enhanced when the principal rotation symmetry is spontaneously broken in the normal state such as nematicity, and the energetic stabilization of pseudospin-triplet pairings indicates the coexistence of nematicity and superconductivity. This could be potentially applied to bulk FeSe, where gap anisotropy has been experimentally observed.

Physics↗