scholarly journals Realistic tight-binding model for monolayer transition metal dichalcogenides of 1T′ structure

2021 ◽  
Vol 104 (3) ◽  
Author(s):  
Mengli Hu ◽  
Guofu Ma ◽  
Chun Yu Wan ◽  
Junwei Liu
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Tight Binding ◽  
Tight Binding Model ◽  
Binding Model ◽  
Metal Dichalcogenides

scholarly journals Tunable topology and berry curvature dipole in transition metal dichalcogenide Janus monolayers

2021 ◽  
Author(s):  
Nesta Joseph ◽  
Saswata Roy ◽  
Awadhesh Narayan
Keyword(s):  
Transition Metal ◽  
Hall Effect ◽  
Transition Metal Dichalcogenides ◽  
Tight Binding ◽  
Quantum Spin ◽  
Transition Metal Dichalcogenide ◽  
Berry Curvature ◽  
Asymmetric Structures ◽  
Non Linear ◽  
Metal Dichalcogenides

Abstract Janus transition metal dichalcogenides, with intrinsic mirror asymmetry, exhibit a wide array of interesting properties. In this work, we study Janus monolayers derived from WTe2 using first-principles and tight-binding calculations. We discover that WSeTe and WSTe are topologically trivial, in contrast to the parent quantum spin Hall insulator WTe2. Motivated by the growing interest in non-linear Hall effect, which also requires asymmetric structures, we investigate the Berry curvature and its dipole in these Janus systems and find that they exhibit strikingly large values of Berry curvature dipole, despite being in the topologically trivial phase. We track down the origin of this behaviour and put forth a low-energy massive Dirac model to understand the central features of our ab inito computations. Our predictions introduce Janus monolayers as promising new platforms for exploring as well as engineering non-linear Hall effect.

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