scholarly journals Tight-binding approach to strain and curvature in monolayer transition-metal dichalcogenides

2016 ◽  
Vol 94 (15) ◽  
Author(s):  
Alexander J. Pearce ◽  
Eros Mariani ◽  
Guido Burkard
Keyword(s):  
Transition Metal ◽  
Transition Metal Dichalcogenides ◽  
Tight Binding ◽  
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.

The Phonon Mediated Anomalies of Thermal Expansion in Transition-Metal Componds and Emergent Nanostructures

2016 ◽  
Vol 257 ◽  
pp. 81-85 ◽  
Author(s):  
Victor Eremenko ◽  
Valentyna Sirenko ◽  
Alexander Dolbin ◽  
Sergey Feodosyev ◽  
Igor Gospodarev ◽  
...  
Keyword(s):  
Transition Metal ◽  
Low Temperatures ◽  
Lattice Dynamics ◽  
High Temperature Superconductors ◽  
Transition Metal Dichalcogenides ◽  
Tight Binding ◽  
Harmonic Approximation ◽  
Microscopic Analysis ◽  
Complex Structures ◽  
Metal Dichalcogenides

Abstract. The negative expansion observed at low temperatures in specific crystallographic directions of complex structures with anisotropic interactions is explained by microscopic analysis within the tight-binding, quasi-harmonic approximation of lattice dynamics. The results agree with measurements on multilayer sandwiches of transition-metal dichalcogenides, high-temperature superconductors and relevant nanostructures including the carbon-based nanotubes.

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