Navigating the trends in the proximity to magnetic quantum critical point and superconductivity for Ce-based heavy-fermion compounds

Abstract

Pressure-induced magnetic quantum phase transition of CeRhIn$_5$ is described from first principles based on a realistic Kondo lattice model. Simulations of CeRhIn$_5$ above ambient pressure up to P=5 [GPa] show that it is driven from an antiferromagnetic phase into the paramagnetic phase crossing the possible QCP around P=2 [GPa], being consistent with the experimental trends. Our calculations suggest a possibility for a coexistence phase around $P\stackrel{<}{\sim} 3$ [GPa]. On the basis of the data from our realistic simulations, a comprehensive materials navigator is compiled including pressure dependent CeRhIn5 to possibly provide a guideline for further discovery of Ce-based heavy fermion superconductors.