English

Modeling Intercalated Group-4-Metal Nitride Halide Superconductivity with Interlayer Coulomb Coupling

Superconductivity 2015-09-15 v1

Abstract

Behavior consistent with Coulomb-mediated high-TC_C superconductivity is shown to be present in the intercalated group-4-metal nitride halides Ax_x(S)y_yMNX, where the MNX host (M = Ti, Zr, Hf; X = Cl, Br) is partially intercalated with cations Ax_x and optionally molecular species (S)y_y in the van der Waals gap between the halide X layers, expanding the basal-plane spacing d. The optimal transition temperature is modeled by TC0_{C0} {\propto} {\zeta}1^{-1}({\sigma}/AA)1/2^{1/2}, where the participating fractional charge per area per formula unit {\sigma}/AA and the distance {\zeta}, given by the transverse Ax_x-X separation ({\zeta} < d), govern the interlayer Coulomb coupling. From experiment results for {\beta}-form compounds based on Zr and Hf, in which concentrations x of Ax_x are varied, it is shown that {\sigma} = {\gamma}[v(xopt_{opt} - x0_0)], where xopt_{opt} is the optimal doping, x0_0 is the onset of superconducting behavior, v is the Ax_x charge state, and {\gamma} = 1/8 is a factor determined by the model. Observations of TC_C < TC0_{C0} in the comparatively more disordered {\alpha}-Ax_x(S)y_yTiNX compounds are modeled as pair-breaking by remote Coulomb scattering from the Ax_x cations, which attenuates exponentially with increasing {\zeta}. The TC0_{C0} values calculated for nine Ax_x(S)y_yMNCl compounds, shown to be optimal, agree with the measured TC_C to within experimental error. The model for TC0_{C0} is also found to be consistent with the absence of high-TC_C characteristics for Ax_xMNX compounds in which a spatially separated intercalation layer is not formed.

Keywords

Cite

@article{arxiv.1508.02523,
  title  = {Modeling Intercalated Group-4-Metal Nitride Halide Superconductivity with Interlayer Coulomb Coupling},
  author = {Dale R. Harshman and Anthony T. Fiory},
  journal= {arXiv preprint arXiv:1508.02523},
  year   = {2015}
}

Comments

12 pages, 2 figures

R2 v1 2026-06-22T10:30:52.260Z