Hybridization gap in the semiconducting compound SrIr4In2Ge4

Calta, Nicholas P.; Im, Jino; Fang, Lei; Chasapis, Thomas C.; Bugaris, Daniel E.; Chung, Duck Young; Kwok, Wai -Kwong; Kanatzidis, Mercouri G.

doi:10.1021/acs.inorgchem.6b02617

Title: Hybridization gap in the semiconducting compound SrIr₄In₂Ge₄

Journal Article · Fri Nov 18 00:00:00 EST 2016 · Inorganic Chemistry

DOI:https://doi.org/10.1021/acs.inorgchem.6b02617· OSTI ID:1342031

Calta, Nicholas P. ^[1]; Im, Jino ^[2]; Fang, Lei ^[3]; Chasapis, Thomas C. ^[4]; Bugaris, Daniel E. ^[5]; Chung, Duck Young ^[5]; Kwok, Wai -Kwong ^[5]; Kanatzidis, Mercouri G. ^[3]

Northwestern Univ., Evanston, IL (United States); Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Korea Research Institute of Chemical Technology, Ulsan (South Korea)
Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States)

Large single crystals of SrIr4In2Ge4 were synthesized using the In flux method. This compound is a hybridization gap semiconductor with an experimental optical band gap of E-g = 0.25(3) eV. It crystallizes in the tetragonal EuIr4In2Ge4 structure type with space group I (4) over bar 2m and unit cell parameters a = 6.9004(5) angstrom and c = 8.7120(9) angstrom. The electronic structure is very similar to both EuIr4In2Ge4 and the parent structure Ca3Ir4Ge4, suggesting that these compounds comprise a new family of hybridization gap materials that exhibit indirect gap, semi-conducting behavior at a valence electron count of 60 per formula unit, similar to the Heusler alloys.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

Grant/Contract Number:: AC52-07NA27344; DMR-1121262; AC02-06CH11357

OSTI ID:: 1342031

Alternate ID(s):: OSTI ID: 1352571

Report Number(s):: LLNL-JRNL-700098

Journal Information:: Inorganic Chemistry, Vol. 55, Issue 23; ISSN 0020-1669

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 1 work

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