Electronic structure, Fermi surface and dHvA effect in YIn3, LuIn3, and YbIn3

Abstract

The electronic structure, Fermi surface, angle dependence of the cyclotron masses and extremal cross sections of the Fermi surface of RIn 3 (R = Y, Lu, and Yb) compounds were investigated from first principles using the fully relativistic Dirac linear muffin-tin orbital method. The effect of the spin-orbit (SO) interaction and Coulomb repulsion U in a frame of the LDA+SO+U method on the Fermi surface, orbital dependence of the cyclotron masses, and extremal cross sections of the Fermi surface are examined in details. A good agreement with experimental data of cyclotron masses and extremal cross sections of the Fermi surface was achieved.