Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4
Nicholas P Calta1, Jino Im2, Alexandra P Rodriguez1
1Department of Chemistry, Northwestern University, 2145 Sheridan Rd, Evanston, IL 60208 (USA).
Abstract:
EuIr4In2Ge4 is a new intermetallic semiconductor that adopts a non-centrosymmetric structure in the tetragonal I4̄2m space group with unit cell parameters a=6.9016(5) Å and c=8.7153(9) Å. The compound features an indirect optical band gap E(g)=0.26(2) eV, and electronic-structure calculations show that the energy gap originates primarily from hybridization of the Ir 5d orbitals, with small contributions from the Ge 4p and In 5p orbitals. The strong spin-orbit coupling arising from the Ir atoms, and the lack of inversion symmetry leads to significant spin splitting, which is described by the Dresselhaus term, at both the conduction- and valence-band edges. The magnetic Eu(2+) ions present in the structure, which do not play a role in gap formation, order antiferromagnetically at 2.5 K.
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