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

## TL;DR

This paper uses first-principles simulations to study pressure-induced magnetic phase transitions in CeRhIn5, identifying a quantum critical point and potential coexistence phase, aiding the search for new Ce-based heavy-fermion superconductors.

## Contribution

It provides a realistic Kondo lattice model simulation of CeRhIn5 under pressure, revealing phase transitions and a coexistence region, guiding future material discovery.

## Key findings

- Quantum critical point around 2 GPa identified.
- Coexistence phase possible near 3 GPa.
- Pressure drives CeRhIn5 from antiferromagnetic to paramagnetic.

## 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.