TY - JOUR
T1 - Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4
AU - Calta, Nicholas P.
AU - Im, Jino
AU - Rodriguez, Alexandra P.
AU - Fang, Lei
AU - Bugaris, Daniel E.
AU - Chasapis, Thomas C.
AU - Freeman, Arthur J
AU - Kanatzidis, Mercouri
PY - 2015/8/1
Y1 - 2015/8/1
N2 - EuIr4In2Ge4 is a new intermetallic semiconductor that adopts a non-centrosymmetric structure in the tetragonal {I\bar 42m} 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 Eg=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 Eu2+ ions present in the structure, which do not play a role in gap formation, order antiferromagnetically at 2.5 K. An intermetallic semiconductor with a non-centrosymmetric structure and the chemical formula EuIr4In2Ge4 is reported. The band gap is a direct result of strong Ir-Ir bonding, and strong spin-orbit coupling effects lead to spin splitting at the conduction- and valence-band edges, which is described by the Dresselhaus term.
AB - EuIr4In2Ge4 is a new intermetallic semiconductor that adopts a non-centrosymmetric structure in the tetragonal {I\bar 42m} 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 Eg=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 Eu2+ ions present in the structure, which do not play a role in gap formation, order antiferromagnetically at 2.5 K. An intermetallic semiconductor with a non-centrosymmetric structure and the chemical formula EuIr4In2Ge4 is reported. The band gap is a direct result of strong Ir-Ir bonding, and strong spin-orbit coupling effects lead to spin splitting at the conduction- and valence-band edges, which is described by the Dresselhaus term.
KW - X-ray diffraction
KW - crystal growth
KW - electronic structure
KW - hybridization
KW - intermetallic phases
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U2 - 10.1002/anie.201504315
DO - 10.1002/anie.201504315
M3 - Article
C2 - 26111038
SN - 1433-7851
VL - 54
SP - 9186
EP - 9191
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 32
ER -