Abstract
Using an ab initio density functional theory (DFT), we study thin film electronic properties of topological insulators (TIs) based on ternary compounds of Tl (thallium) and Bi (bismuth). We consider TlBiX2 (X=Se, Te) and Bi2X2Y (X, Y=Se, Te) compounds. Here we discuss the nature of surface states, their locations in the Brillouin Zone (BZ) and their interactions within the bulk region. Our calculations suggest a critical film thickness to maintain the Dirac cone which is smaller than that in binary Bi-based compounds. Atomic relaxations are found to affect the Dirac cone in some of these compounds. We discuss the penetration depth of surface states into the bulk region.
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Acknowledgments
The authors acknowledge financial support from the Nanoelectronics Research Initiative supported Southwest Academy of Nanoelectronics (NRI-SWAN) center. We thank the Texas advanced computing center (TACC) for computational support(TG-DMR080016N).
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Chang, J., Register, L.F., Banerjee, S.K. et al. Thin Film Electronic Properties of Ternary Topological Insulator. MRS Online Proceedings Library 1393, 6–11 (2012). https://doi.org/10.1557/opl.2012.724
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DOI: https://doi.org/10.1557/opl.2012.724