# 3$d$ - 4$d$ hybridization anomaly in Ni$_x$Pd$_{1-x}$ alloys at quantum critical point

## TL;DR

This study uses first-principles calculations to explore how electronic hybridization in Ni-Pd alloys near the quantum critical point influences magnetic properties and exhibits anomalies linked to quantum fluctuations.

## Contribution

It reveals a correlation between orbital hybridization anomalies and quantum critical behavior in Ni-Pd alloys through detailed electronic structure analysis.

## Key findings

- Density of states at Fermi energy follows power-law behavior near critical point
- Peak-like anomalies in Pd 4d DOS width and Ni 3d DOS centroid near critical composition
- Hybridization anomalies suggest a link to quantum fluctuations

## Abstract

$First-principles$ density functional theory computations of electronic structure and local magnetic properties of the non-fluctuating ground state of Ni$_x$Pd$_{1-x}$ alloy system around its quantum critical point $x_c = 0.026$ have been performed. The density of states at the Fermi energy and certain other parameters characterizing the Ni 3$d$ - Pd 4$d$ hybridization apparently follow power-laws with $x$ similar to that obeyed by the reported ferromagnetic to paramagnetic transition temperature. The width of Pd $4d$ density of states (DOS) and centroid of Ni 3$d$ DOS show peak-like anomalies in the neighbourhood of $x_c$, and so indicate a possible scenario of the existence of a definite relation between the orbital hybridization and the emergence of quantum fluctuations in the system.