Modular Design with 2D Topological-Insulator Building Blocks: Optimized Synthesis and Crystal Growth and Crystal and Electronic Structures of BiₓTeI (x = 2, 3)

  • Structural engineering of topological bulk materials is systematically explored with regard to the incorporation of the buckled bismuth layer [Bi₂], which is a 2D topological insulator per se, into the layered BiTeI host structure. The previously known bismuth telluride iodides, BiTeI and Bi₂TeI, offer physical properties relevant for spintronics. Herewith a new cousin, Bi₃TeI (sp.gr. R3m, a = 440.12(2) pm, c = 3223.1(2) pm), joins the ranks and expands this structural family. Bi₃TeI = [Bi₂][BiTeI] represents a stack with strictly alternating building blocks. Conditions for reproducible synthesis and crystal-growth of Bi₂TeI and Bi₃TeI are ascertained, thus yielding platelet-like crystals on the millimeter size scale and enabling direct measurements. The crystal structures of Bi₂TeI and Bi₃TeI are examined by X-ray diffraction and electron microscopy. DFT calculations predict metallic properties of Bi₃TeI and an unconventional surface state residing on various surface terminations. This state emerges as a result of complexStructural engineering of topological bulk materials is systematically explored with regard to the incorporation of the buckled bismuth layer [Bi₂], which is a 2D topological insulator per se, into the layered BiTeI host structure. The previously known bismuth telluride iodides, BiTeI and Bi₂TeI, offer physical properties relevant for spintronics. Herewith a new cousin, Bi₃TeI (sp.gr. R3m, a = 440.12(2) pm, c = 3223.1(2) pm), joins the ranks and expands this structural family. Bi₃TeI = [Bi₂][BiTeI] represents a stack with strictly alternating building blocks. Conditions for reproducible synthesis and crystal-growth of Bi₂TeI and Bi₃TeI are ascertained, thus yielding platelet-like crystals on the millimeter size scale and enabling direct measurements. The crystal structures of Bi₂TeI and Bi₃TeI are examined by X-ray diffraction and electron microscopy. DFT calculations predict metallic properties of Bi₃TeI and an unconventional surface state residing on various surface terminations. This state emerges as a result of complex hybridization of atomic states due to their strong intermixing. Our study does not support the existence of new stacking variants BiₓTeI with x > 3; instead, it indicates a possible homogeneity range of Bi₃TeI. The series BiTeI–Bi₂TeI–Bi₃TeI illustrates the influence of structural modifications on topological properties.show moreshow less

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Author: Alexander Zeugner, Martin Kaiser, Peer SchmidtORCiD, Tatiana V. Menshchikova, Igor P. Rusinov, Anton V. Markelov, Wouter Van den Broek, Evgueni V. Chulkov, Thomas DoertORCiD, Michael RuckORCiD, Anna IsaevaORCiD
URL:http://pubs.acs.org/doi/abs/10.1021/acs.chemmater.6b05038
DOI:https://doi.org/10.1021/acs.chemmater.6b05038
ISSN:0897-4756
ISSN:1520-5002
Title of the source (English):Chemistry of Materials
Document Type:Scientific journal article peer-reviewed
Language:English
Year of publication:2017
Tag:Bismuth layered compounds; Crystal structure; Crytal growth; Electronic structure; Topological insulator
Volume/Year:29
Issue number:3
First Page:1321
Last Page:1337
Faculty/Chair:Fakultät 2 Umwelt und Naturwissenschaften / FG Anorganische Chemie
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