The electronic structures of group-V–group-IV hetero-bilayer structures: a first-principles study

2015 ◽  
Vol 17 (41) ◽  
pp. 27769-27776 ◽  
Author(s):  
Yanli Wang ◽  
Yi Ding
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Interfacial Properties ◽  
Group Iv ◽  
Group V ◽  
First Principles Study

Van der Waals hetero-bilayer structures can be constructed from group-V and group-IV nanosheets, which exhibit tunable electronic and interfacial properties.

scholarly journals van der Waals trilayers and superlattices: modification of electronic structures of MoS2 by intercalation

Nanoscale ◽  
2014 ◽  
Vol 6 (9) ◽  
pp. 4566-4571 ◽  
Author(s):  
Ning Lu ◽  
Hongyan Guo ◽  
Lu Wang ◽  
Xiaojun Wu ◽  
Xiao Cheng Zeng
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Two Dimensional ◽  
First Principles Study

We perform a comprehensive first-principles study of the electronic properties of van der Waals (vdW) trilayers via intercalating a two-dimensional (2D) monolayer (ML = BN, MoSe2, WS2, or WSe2) between a MoS2 bilayer to form various MoS2/ML/MoS2 sandwich trilayers.

First principles study on the electronic structures and contact properties of graphene/XC (X = P, As, Sb, Bi) van der Waals heterostructures

2021 ◽  
Author(s):  
Xuemin Hu ◽  
Wenqiang Liu ◽  
Jialin Yang ◽  
Shengli Zhang ◽  
Yuanfeng Ye
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Electrical Contacts ◽  
Device Performance ◽  
Two Dimensional ◽  
Metal Electrodes ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
2D Semiconductors

The electrical contacts at the van der Waals (vdW) interface between two-dimensional (2D) semiconductors and metal electrodes could dramatically affect the device performance. Herein, we construct a series of graphene...

scholarly journals First-principles study of the electronic structures and optical and photocatalytic performances of van der Waals heterostructures of SiS, P and SiC monolayers

RSC Advances ◽  
2021 ◽  
Vol 11 (24) ◽  
pp. 14263-14268
Author(s):  
Qaisar Alam ◽  
S. Muhammad ◽  
M. Idrees ◽  
Nguyen V. Hieu ◽  
Nguyen T. T. Binh ◽  
...  
Keyword(s):  
First Principles ◽  
Electronic Structures ◽  
Van Der Waals ◽  
Photocatalytic Properties ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Photocatalytic Performances

The electronic structures and optical and photocatalytic properties of SiS, P and SiC van der Waals (vdW) heterostructures are investigated by (hybrid) first-principles calculations.

scholarly journals Novel structural phases and the properties of LaX (X = P, As) under high pressure: first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (5) ◽  
pp. 3058-3070
Author(s):  
Yu Zhou ◽  
Lan-Ting Shi ◽  
A-Kun Liang ◽  
Zhao-Yi Zeng ◽  
Xiang-Rong Chen ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Thermodynamic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Pressure Range ◽  
Mechanical Stability ◽  
First Principles Study

The structures, phase transition, mechanical stability, electronic structures, and thermodynamic properties of lanthanide phosphates (LaP and LaAs) are studied in the pressure range of 0 to 100 GPa by first principles.

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