Abstract
We investigate hole-doping by Sc substitution for Ti in the weak antiferromagnet (wAFM) system TiScAu. Behavior reported so far fits a weak itinerant AFM picture, and experimentally leads to a quantum critical point at . Here we study supercells with several rational fractions of Ti replaced by Sc. We find, unexpectedly, definite local moment-like behavior, e.g. magnetic moments of the Ti atom comparable to or even larger than in the bulk persist even into the Ti-poor regime of this alloy system. Itinerant signatures persist, however, as the Ti projected density of states displays van Hove singularity peaks near the Fermi level in most cases, revealing a striking similarity to nonmagnetic bulk TiAu. The current picture of this system, midway between itinerant and local moment, will be provided and discussed in light of experimental observations.
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