Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4

Nicholas P. Calta, Jino Im, Alexandra P. Rodriguez, Lei Fang, Daniel E. Bugaris, Thomas C. Chasapis, Arthur J Freeman, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)9186-9191
Number of pages6
JournalAngewandte Chemie - International Edition
Volume54
Issue number32
DOIs
Publication statusPublished - Aug 1 2015

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Valence bands
Conduction bands
Intermetallics
Orbits
Energy gap
Semiconductor materials
Optical band gaps
Electronic structure
Ions
Atoms

Keywords

  • crystal growth
  • electronic structure
  • hybridization
  • intermetallic phases
  • X-ray diffraction

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis

Cite this

Calta, N. P., Im, J., Rodriguez, A. P., Fang, L., Bugaris, D. E., Chasapis, T. C., ... Kanatzidis, M. G. (2015). Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4. Angewandte Chemie - International Edition, 54(32), 9186-9191. https://doi.org/10.1002/anie.201504315

Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4. / Calta, Nicholas P.; Im, Jino; Rodriguez, Alexandra P.; Fang, Lei; Bugaris, Daniel E.; Chasapis, Thomas C.; Freeman, Arthur J; Kanatzidis, Mercouri G.

In: Angewandte Chemie - International Edition, Vol. 54, No. 32, 01.08.2015, p. 9186-9191.

Research output: Contribution to journalArticle

Calta NP, Im J, Rodriguez AP, Fang L, Bugaris DE, Chasapis TC et al. Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4. Angewandte Chemie - International Edition. 2015 Aug 1;54(32):9186-9191. https://doi.org/10.1002/anie.201504315
Calta, Nicholas P. ; Im, Jino ; Rodriguez, Alexandra P. ; Fang, Lei ; Bugaris, Daniel E. ; Chasapis, Thomas C. ; Freeman, Arthur J ; Kanatzidis, Mercouri G. / Hybridization Gap and Dresselhaus Spin Splitting in EuIr4In2Ge4. In: Angewandte Chemie - International Edition. 2015 ; Vol. 54, No. 32. pp. 9186-9191.
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