We present calculations of interband optical conductivity of the compound ${\mathrm{Ni}}_3$Al using the linear-muffin-tin-orbital method. Calculations are performed using constant matrix elements and calculated matrix elements. We find that matrix elements play a significant role in influencing the magnitude of optical conductivity σ(ω) and the position of peaks. Since ${\mathrm{Ni}}_3$Al is weakly ferromagnetic (magnetic moment equal to 0.31${\mathrm{\mu }}_{\mathit{B}}$ per unit cell), we have also calculated σ(ω) using the ferromagnetic band structure but without spin-orbit coupling. A comparison of our results with experimental data is presented.

• Received 10 June 1993

DOI:https://doi.org/10.1103/PhysRevB.48.16974