Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds (A = Rb, Cs; M = Zn, Cd) Owens-Baird, Bryan Wang, Lin-Lin Lee, Shannon Kovnir, Kirill
dc.contributor.department Ames Laboratory
dc.contributor.department Chemistry 2020-03-02T14:44:26.000 2020-06-29T23:24:18Z 2020-06-29T23:24:18Z 2021-01-22 2020-01-22
dc.description.abstract <p>Synthesis, crystal structure, thermal stability, and electronic band structure of four new metal antimonides <em>AM</em>Sb (<em>A</em> = Rb, Cs; <em>M</em> = Zn, Cd) are reported. CsZnSb and RbZnSb crystallize in the hexagonal ZrBeSi structure type, in a <em>P</em>63/<em>mmc</em> space group (no. 194, <em>Z</em> = 2) and unit cell dimensions of <em>a</em> = 4.5588(2)/4.5466(4) Å and <em>c</em> = 11.9246(6)/11.0999(10) Å. CsCdSb and RbCdSb crystallize in the tetragonal PbFCl structure type in a <em>P</em>4/<em>nmm</em> space group (no. 129; <em>Z</em> = 2) and unit cell parameters of <em>a</em> = 4.8884(5)/4.8227(3) Å and <em>c</em> = 8.8897(9)/8.5492(7) Å. All four compounds are air‐ and water‐sensitive and are shown through DSC measurements to decompose between 975 K and 1060 K. Analysis of the calculated electronic band structure shows that the Zn‐containing antimonides are topologically trivial narrow bandgap semiconductors, whereas Cd‐containing compounds exhibit a band inversion along <em>Γ</em>‐<em>Z</em> direction.</p>
dc.identifier archive/
dc.identifier.articleid 1594
dc.identifier.contextkey 16681267
dc.identifier.s3bucket isulib-bepress-aws-west
dc.identifier.submissionpath ameslab_manuscripts/596
dc.language.iso en
dc.relation.ispartofseries IS-J 10146
dc.source.bitstream archive/|||Sat Jan 15 01:04:25 UTC 2022
dc.source.uri 10.1002/zaac.201900284
dc.subject.disciplines Inorganic Chemistry
dc.subject.disciplines Materials Chemistry
dc.subject.keywords Antimonides
dc.subject.keywords Crystal structure
dc.subject.keywords Antimony
dc.subject.keywords Electronic structure
dc.subject.keywords Band inversion
dc.title Synthesis, Crystal and Electronic Structure of Layered AMSb Compounds (A = Rb, Cs; M = Zn, Cd)
dc.type article
dc.type.genre article
dspace.entity.type Publication
relation.isOrgUnitOfPublication 25913818-6714-4be5-89a6-f70c8facdf7e
relation.isOrgUnitOfPublication 42864f6e-7a3d-4be3-8b5a-0ae3c3830a11
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