van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides

Liu, Junwei; Wang, Hua; Fang, Chen; Fu, Liang; Qian, Xiaofeng

doi:10.1021/acs.nanolett.6b04487

Title: van der Waals Stacking-Induced Topological Phase Transition in Layered Ternary Transition Metal Chalcogenides

Journal Article · Wed Dec 07 00:00:00 EST 2016 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.6b04487· OSTI ID:1534783

Liu, Junwei ^[1]; Wang, Hua ^[2]; Fang, Chen ^[3]; Fu, Liang ^[1];

^[2]

Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)
Texas A & M Univ., College Station, TX (United States)
Chinese Academy of Sciences (CAS), Beijing (China)

Innovative materials with nontrivial electronic and photonic band topology are crucial for realizing novel devices with low power consumption and heat dissipation and quantum computing free of decoherence. In this work, we theoretically predict a novel class of ternary transition metal chalcogenides that exhibit dual topological characteristics, quantum spin Hall insulators (QSHIs) in their two-dimensional (2D) monolayers and topological Weyl semimetals in their 3D noncentrosymmetric crystals upon van der Waals (vdW) stacking. Remarkably, we find that one can create and annihilate Weyl fermions and realize the transition between Type-I and Type-II Weyl fermions by tuning vdW interlayer spacing, providing the missing physical picture of the evolution from 2D QSHIs to 3D Weyl semimetals. Our findings also show that these materials possess excellent thermodynamic stability and weak interlayer binding; some of them were synthesized two decades ago, implying their great potentials for experimental synthesis, characterization, and vdW heterostacking. Moreover, their ternary nature will offer more tunability for electronic structure by controlling different stoichiometry and valence charges. These results provide an ideal materials platform for realizing QSH effect and exploring fundamental topological phase transition and will open up a variety of new opportunities for two-dimensional materials and topological materials research.

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Research Organization:: Massachusetts Inst. of Technology (MIT), Cambridge, MA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF)

Grant/Contract Number:: SC0010526

OSTI ID:: 1534783

Journal Information:: Nano Letters, Vol. 17, Issue 1; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 54 works

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