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Erratum: NbS 3 : A unique quasi-one-dimensional conductor with three charge density wave transitions [Phys. Rev. B 95, 035110 (2017)]

Through transport, compositional and structural studies, we review the features of the chargedensity wave (CDW) conductor of NbS3 (phase II). We highlight three central results: 1) In addition to the previously reported CDW transitions at TP 1 = 360 K and TP 2 = 150 K, another CDW transition occurs at a much higher temperature TP 0 = 620-650 K; evidence for the non-linear conductivity of this CDW is presented. 2) We show that CDW associated with the TP 2 -transition arises from S vacancies acting as donors. Such a CDW transition has not been observed before. 3) We show exceptional coherence of the TP 1-CDW at room-temperature. Additionally, we report on the effects of uniaxial strain on the CDW transition temperatures and transport.

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The basic and the charge density wave (CDW) structures of the monoclinic NbS3-II polymorph were studied by synchrotron x-ray diffraction, ab-initio calculation, simulation of electron diffraction patterns and by atomicresolution transmission electron and low-temperature scanning tunneling microscopies. It is shown that the basic structure belongs to the space group P 21/m and is described with a unit cell, formed of four pairs of symmetry-related trigonal prismatic (TP) columns (a0 = 0.96509(8) nm, b0 = 0.33459(2) nm, c0 = 1.9850(1) nm, β0 = 110.695(4) • ), with all Nb and S atoms in 2e special positions. The two CDWs, with q1 = (0, 0.298,0) and q2 = (0, 0.352, 0), form their own modulation unit cells (am = 2a0, bm = b0/qjb, cm = c0, βm = β0) and are ordered pairwise along adjacent isosceles TP columns. The symmetries of both qj modes belong to the space group Cm and are related according to the 2a special positions. If considered as long-period commensurate, the entire modulated structure with both CDWs included is best described with an enlarged unit cell (a = 2a0, b = 37b0, c = c0, β = β0), with all Nb and S atoms in 1a positions of the space group P 1.