# Electronic specific heat coefficient and magnetic properties of Y(Fe$_{1-x}$Co$_x$)$_2$ Laves phases: a combined experimental and first-principles study

## TL;DR

This study combines experimental measurements and first-principles calculations to analyze how the electronic specific heat coefficient varies with Co concentration in Y(Fe$_{1-x}$Co$_x$)$_2$ Laves phases, revealing a maximum near the magnetic phase transition.

## Contribution

It provides a detailed theoretical explanation for the maximum in the specific heat coefficient using LDA and VCA, aligning well with experimental data.

## Key findings

- Maximum in $\gamma(x)$ occurs near Co concentration 0.925.
- Maximum is due to a sharp density of states peak near the Fermi level.
- Theoretical predictions agree with experimental observations.

## Abstract

We investigated experimentally and computationally the concentration dependence of electronic specific heat coefficient $\gamma$ in Y(Fe$_{1-x}$Co$_x$)$_2$ pseudobinary Laves phase system. The experimentally observed maximum in $\gamma$($x$) around the magnetic phase transition was interpreted within the local density approximation (LDA) combined with the virtual crystal approximation (VCA). To explain the formation of the observed maximum, we analyzed theoretically the dependence of the magnetic energy, magnetic moments, densities of states, and Fermi surfaces on the Co concentration. Furthermore, we carried out the calculations of density of states at the Fermi level as a function of fixed spin moment. The calculated Co concentration at which $\gamma$ takes the maximum value ($x_{\mathrm{max-LDA-VCA}}=0.91$) stays in good agreement with the measured value ($x_{\mathrm{max-expt}} = 0.925$). We conclude that the observed maximum in $\gamma(x)$ results from the presence of the sharp DOS peak in the vicinity of the Fermi level.