Abstract
The vanadium and niobium nitrdes V x Nb1−xN are studied theoretically and experimentally for varying compositionsx. Self-consistent linear muffin-tin orbital band calculations are performed for various ordered supercells corresponding tox=0.0, 0.25, 0.50, 0.75, and 1.0. The band results are used to calculate electron-phonon coupling and spin susceptibility enhancement factors in order to study the variations of specific heat and superconducting transition temperatures with composition. A relative localization of, in particular, the V 3d states is found for the mixed compositions. The superconducting temperatures are found to be more reduced for intermediate compositions than what is expected from a simple interpolation between pure VN and NbN. Effects of spin fluctuations are important for the alloys containing vanadium, but are probably larger than what has been found in our theoretical study, and also containingq≠0 contributions. A small peak in the density of states near the Fermi energy is associated with a flat band near theW point, and causes a shoulder in density of state-dependent properties forx near 0.9.
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