scholarly journals First-principles theory of field-effect doping in transition-metal dichalcogenides: Structural properties, electronic structure, Hall coefficient, and electrical conductivity

2015 ◽  
Vol 91 (15) ◽  
Author(s):  
Thomas Brumme ◽  
Matteo Calandra ◽  
Francesco Mauri
Keyword(s):  
Electrical Conductivity ◽  
Electronic Structure ◽  
Transition Metal ◽  
Structural Properties ◽  
Hall Coefficient ◽  
First Principles ◽  
Field Effect ◽  
Transition Metal Dichalcogenides ◽  
Metal Dichalcogenides

Black phosphorene/monolayer transition-metal dichalcogenides as two dimensional van der Waals heterostructures: a first-principles study

2016 ◽  
Vol 18 (10) ◽  
pp. 7381-7388 ◽  
Author(s):  
Baiqing You ◽  
Xiaocha Wang ◽  
Zhida Zheng ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
Transition Metal ◽  
First Principles ◽  
Van Der Waals ◽  
Transition Metal Dichalcogenides ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Black Phosphorene ◽  
Metal Dichalcogenides

The electronic structure of black phosphorene/XT2(X = Mo, W; T = S, Se, Te) two dimensional heterostructures is presented using the first-principles method.

Flexoelectricity in atomic monolayers from first principles

Nanoscale ◽  
2020 ◽  
Author(s):  
Shashikant Kumar ◽  
David Codony ◽  
Irene Arias ◽  
Phanish Suryanarayana
Keyword(s):  
Density Functional Theory ◽  
Transition Metal ◽  
Ab Initio ◽  
First Principles ◽  
Density Functional ◽  
Transition Metal Dichalcogenides ◽  
Functional Theory ◽  
Group Iii ◽  
Flexoelectric Effect ◽  
Metal Dichalcogenides

We study the flexoelectric effect in fifty-four select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically, considering representative materials from each of Group III monochalcogenides, transition metal dichalcogenides...

Anti-Ambipolar Field-Effect Transistors Based On Few-Layer 2D Transition Metal Dichalcogenides

2016 ◽  
Vol 8 (24) ◽  
pp. 15574-15581 ◽  
Author(s):  
Yongtao Li ◽  
Yan Wang ◽  
Le Huang ◽  
Xiaoting Wang ◽  
Xingyun Li ◽  
...  
Keyword(s):  
Transition Metal ◽  
Field Effect ◽  
Field Effect Transistors ◽  
Transition Metal Dichalcogenides ◽  
Metal Dichalcogenides
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