title: Hybridization Gap in the Semiconducting Compound SrIr4In2Ge4.
abstract: Large single crystals of SrIr4In2Ge4were synthesized using the In flux method. This compound is a hybridization gap semiconductor with an experimental optical band gap of Eg= 0.25(3) eV. It crystallizes in the tetragonal EuIr4In2Ge4structure type with space group I4̅2m and unit cell parameters a = 6.9004(5) Å and c = 8.7120(9) Å. The electronic structure is very similar to both EuIr4In2Ge4and the parent structure Ca3Ir4Ge4, suggesting that these compounds comprise a new family of hybridization gap materials that exhibit indirect gap, semiconducting behavior at a valence electron count of 60 per formula unit, similar to the Heusler alloys.
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois, United States.|Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory , Livermore, California, United States.
authors.forename: Nicholas P
authors.initials: NP
authors.lastname: Calta
authors.affiliation: Center for Molecular Modeling and Simulation, Chemical Infrastructure Division, Korea Research Institute of Chemical Technology , Daejeon, Ulsan, South Korea.
authors.forename: Jino
authors.initials: J
authors.lastname: Im
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois, United States.|Materials Science Division, Argonne National Laboratory , Lemont, Illinois, United States.
authors.forename: Lei
authors.initials: L
authors.lastname: Fang
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois, United States.
authors.forename: Thomas C
authors.initials: TC
authors.lastname: Chasapis
authors.affiliation: Materials Science Division, Argonne National Laboratory , Lemont, Illinois, United States.
authors.forename: Daniel E
authors.initials: DE
authors.lastname: Bugaris
authors.affiliation: Materials Science Division, Argonne National Laboratory , Lemont, Illinois, United States.
authors.forename: Duck Young
authors.initials: DY
authors.lastname: Chung
authors.affiliation: Materials Science Division, Argonne National Laboratory , Lemont, Illinois, United States.
authors.forename: Wai-Kwong
authors.initials: WK
authors.lastname: Kwok
authors.affiliation: Department of Chemistry, Northwestern University , Evanston, Illinois, United States.|Materials Science Division, Argonne National Laboratory , Lemont, Illinois, United States.
authors.forename: Mercouri G
authors.initials: MG
authors.lastname: Kanatzidis