Abstract
AbstractA three‐dimensional band structure calculation is performed for polymeric sulfur nitride. Using the semi‐empirical pseudopotential method, we calculate the electronic density of states with and without pressure, the optical spectrum, the valence charge density, and the Fermi surface. The bonding properties of (SN)x are explored via an analysis of the valence charge density as a function of energy and by means of an angular momentum projection of the electronic density of states. The shape of the Fermi surface is investigated. Estimates for the electron‐phonon coupling constant, λ, are given, and the increase of Tc with pressure is discussed.
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