Regensburg 2019 – scientific programme

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DS: Fachverband Dünne Schichten

DS 3: Layer Properties: Electronic, Optical and Mechanical Properties

DS 3.11: Talk

Monday, April 1, 2019, 12:15–12:30, H39

Designing multifunctional i-MXene — •Qiang Gao, XinRu Li, and HongBin Zhang — Institute of Materials Science, TU Darmstadt, 64287 Darmstadt, Germany

MXene which can be obtained by etching the bulk MAX phase has attracted intensive attention, as a class of two-dimensional (2D) materials for potential applications as electrode materials, thermoelectric materials, and topological insulators.[1] Recently, the in-plane ordered MAX (i-MAX) compounds (Cr_2/3M_1/3)₂AlC (M = Sc and Y), (V_2/3Zr_1/3)₂AlC, and (Mo_2/3Y_1/3)₂AlC have been reported.[2,3] Motivated by this, we have performed high-throughput screening for novel i-MXene (as derived from the i-MAX phase) systems, focusing particularly on the transport properties of magnetic cases. It is observed that systems with intriguing properties can be realized, such as 2D spin-gapless semiconductors, topological insulators, and candidates for thermoelectric applications. [1] G.R. Bhimanapati, et. al., ACS Nano 9, 11509 (2015). [2] J. Lu, A. Thore, R. Meshkian, Q. Tao, L. Hultman, and J. Rosen, Crystal Growth & Design 17, 5704 (2017). [3] M. Dahlqvist, J. Lu, R. Meshkian, Q. Tao, L. Hultman, and J. Rosen, Sci. Adv. 3, e1700642 (2017).