Large anisotropy in the optical conductivity of YNi2B2C

TL;DR

This study reveals significant anisotropy in the optical conductivity of YNi2B2C, with a notable peak at 2.4 eV in the z-direction, attributed to interband transitions involving Ni sites, despite the 3D electronic structure.

Contribution

First-principles analysis demonstrating pronounced optical anisotropy in YNi2B2C and identifying the Ni site as a key factor in this behavior.

Findings

Large peak at 2.4 eV in σ_z

Anisotropic optical conductivity despite 3D electronic structure

Ni site significantly influences optical anisotropy

Abstract

The optical properties of YNi$_2$B$_2$C are studied by using the first-principles full-potential linearized augmented plane wave (FLAPW) method within the local density approximation. Anisotropic behavior is obtained in the optical conductivity, even though the electronic structure shows 3D character. A large peak in $\sigma_z$ is obtained at 2.4 eV. The anisotropic optical properties are analyzed in terms of interband transitions between energy levels and found that the Ni site plays an important role. The electronic energy loss spectroscopy (EELS) spectra are also calculated to help elucidate the anisotropic properties in this system.