Polaronic States and Superconductivity in WO3-x

Abstract

Superconducting domain boundaries were found in WO3-x and doped WO3. The charge carriers in WO3-type materials were identified by Schirmer and Salje as bipolarons. Several previous attempts to determine the electronic properties of polarons in WO3 failed until Bousque et al. (2020) reported a full first principle calculation of free polarons in WO3. They confirmed the model of Schirmer and Salje that each single polaron is centred around one tungsten position with surplus charges smeared over the adjacent eight tungsten positions. Small additional charges are distributed further apart. Further calculations to clarify the coupling mechanism between polaron to form bipolarons are not yet available. These calculations would help to identify the carrier distribution in Magneli clusters, which were shown recently to contain high carrier concentrations and may indicate totally localized superconductivity in non-percolating clusters.