Toward an Understanding of the Electric Field-Induced Electrostatic Doping in van der Waals Heterostructures: A First-Principles Study

2017 ◽  
Vol 9 (8) ◽  
pp. 7725-7734 ◽  
Author(s):  
Anh Khoa Augustin Lu ◽  
Michel Houssa ◽  
Iuliana P. Radu ◽  
Geoffrey Pourtois
Keyword(s):  
Electric Field ◽  
First Principles ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Electrostatic Doping

Van der Waals heterostructures of Janus XSeTe (X = Mo, W) and arsenene monolayers: A first principles study

2021 ◽  
Vol 123 ◽  
pp. 105588
Author(s):  
Huiqin Zhao ◽  
Feng Xie ◽  
Yushen Liu ◽  
Baoan Bian ◽  
Guofeng Yang ◽  
...  
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

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.

Prediction of spin–orbital coupling effects on the electronic structure of two dimensional van der Waals heterostructures

2015 ◽  
Vol 17 (46) ◽  
pp. 31253-31259 ◽  
Author(s):  
Baiqing You ◽  
Xiaocha Wang ◽  
Wenbo Mi
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
2D Materials ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Coupling Effects ◽  
Van Der Waals Heterostructures ◽  
Spin Orbital ◽  
First Principles Study ◽  
Spin Orbital Coupling

We report a first-principles study on the electronic structure of van der Waals (vdW) heterostructures consisting of two dimensional (2D) materials.

Raman and Optical Characteristics of van der Waals Heterostructures of Single Layers of GaP and GaSe: A First-Principles Study

2021 ◽  
Author(s):  
Yigit Sozen ◽  
Hasan Sahin
Keyword(s):  
First Principles ◽  
Van Der Waals ◽  
Optical Characteristics ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
Fundamental Properties ◽  
First Principles Study ◽  
Van Der Waals Materials

One of the effective methods to modulate or improve the fundamental properties of 2D van der Waals materials is building their heterostructures. In this study, we employ first-principles calculations based...

First-principles study of graphenylene/MoX2 (X=S, Te,Se) van der Waals heterostructures

2021 ◽  
Author(s):  
Ruslan M Meftakhutdinov ◽  
Renat Timergalievich Sibatov ◽  
Dmitry A Evseev ◽  
Aleksey Kochaev
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
First Principles ◽  
Van Der Waals ◽  
Two Dimensional ◽  
Van Der Waals Heterostructures ◽  
First Principles Study

New van der Waals (vdW) heterostructures obtained by stacking monolayers of recently synthesized graphenylene (Gr) and two-dimensional 1H-MoX$_{2}$ (X=S, Te, Se) are proposed and analyzed using ab initio calculations. These...

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