Influence of oxygen adsorption on the chemical stability and conductivity of transition metal ceramic coatings: First-principle calculations

2019 ◽  
Vol 495 ◽  
pp. 143530 ◽  
Author(s):  
Yanjie Ren ◽  
Huayue Du ◽  
Chenyang Du ◽  
Jian Chen ◽  
Wei Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
Chemical Stability ◽  
Ceramic Coatings ◽  
Oxygen Adsorption ◽  
First Principle ◽  
First Principle Calculations ◽  
Metal Ceramic

scholarly journals Spin-textured Chern bands in AB-stacked transition metal dichalcogenide bilayers

2021 ◽  
Vol 118 (36) ◽  
pp. e2112673118
Author(s):  
Yang Zhang ◽  
Trithep Devakul ◽  
Liang Fu
Keyword(s):  
Transition Metal ◽  
Displacement Field ◽  
Anomalous Hall Effect ◽  
Quantum Spin ◽  
Transition Metal Dichalcogenide ◽  
First Principle ◽  
First Principle Calculations ◽  
Hall Effects ◽  
Topological States ◽  
Spin Texture

While transition-metal dichalcogenide (TMD)–based moiré materials have been shown to host various correlated electronic phenomena, topological states have not been experimentally observed until now [T. Li et al., Quantum anomalous Hall effect from intertwined moiré bands. arXiv [Preprint] (2021). https://arxiv.org/abs/2107.01796 (Accessed 5 July 2021)]. In this work, using first-principle calculations and continuum modeling, we reveal the displacement field–induced topological moiré bands in AB-stacked TMD heterobilayer MoTe2/WSe2. Valley-contrasting Chern bands with nontrivial spin texture are formed from interlayer hybridization between MoTe2 and WSe2 bands of nominally opposite spins. Our study establishes a recipe for creating topological bands in AB-stacked TMD bilayers in general, which provides a highly tunable platform for realizing quantum-spin Hall and interaction-induced quantum anomalous Hall effects.

The optical properties and carrier mobility in monolayer MH$_3$(M = Co, Rh and Ir)

2021 ◽  
Author(s):  
Yang Yang ◽  
Jimin Shang ◽  
Zijiong Li ◽  
Hong Yan Lu ◽  
Yandong Ma
Keyword(s):  
Optical Properties ◽  
Transition Metal ◽  
Electronic Structures ◽  
Carrier Mobility ◽  
Phonon Dispersion ◽  
Metal Hydrides ◽  
First Principle ◽  
Two Dimensional ◽  
First Principle Calculations ◽  
Transition Metal Hydrides

A new serial of two-dimensional transition metal hydrides MH$_3$ (M = Co, Rh, Ir) is investigated by first principle calculations. Electronic structures, phonon dispersion, optical absorptions, and carrier mobilities are...

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