X-ray spectra in the magnetic van der Waals materials 
Fe3GeTe2,
 
CrI3, and CrGeTe3
: A first-principles study

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...

Download Full-text

Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

Download Full-text

Optoelectronic properties of van der Waals stacked homo- and hetero-bilayers of tin-monochalcogenides: A first-principles study

Surfaces and Interfaces ◽

10.1016/j.surfin.2021.101083 ◽

2021 ◽

pp. 101083

Author(s):

Bakhtiar Ul Haq

Keyword(s):

First Principles ◽

Van Der Waals ◽

Optoelectronic Properties ◽

First Principles Study

Download Full-text

First-principles study on photoelectric and transport properties of CsXBr3 (X = Ge, Sn) and blue phosphorus van der Waals heterojunctions

Journal of Applied Physics ◽

10.1063/5.0036217 ◽

2021 ◽

Vol 129 (3) ◽

pp. 035302

Author(s):

Mengli Yao ◽

Xiaojiao Zhang ◽

Tian Wu ◽

Biao Liu ◽

Mingjun Li ◽

...

Keyword(s):

Transport Properties ◽

First Principles ◽

Van Der Waals ◽

First Principles Study

Download Full-text

X-ray Photoelectron Spectroscopy for the Boron Impurities in Silicon: a First-Principles Study

10.1063/1.3666271 ◽

2011 ◽

Author(s):

Jun Yamauchi ◽

Yoshihide Yoshimoto ◽

Jisoon Ihm ◽

Hyeonsik Cheong

Keyword(s):

First Principles ◽

Photoelectron Spectroscopy ◽

X Ray ◽

First Principles Study

Download Full-text

Adjusting the electronic properties and contact types of graphene/F-diamane-like C4F2 van der Waals heterostructure: a first principles study

RSC Advances ◽

10.1039/d1ra06986a ◽

2021 ◽

Vol 11 (60) ◽

pp. 37981-37987

Author(s):

Thi-Nga Do ◽

Son-Tung Nguyen ◽

Cuong Q. Nguyen

Keyword(s):

Electronic Properties ◽

Atomic Structure ◽

First Principles ◽

Van Der Waals ◽

First Principles Study ◽

Van Der Waals Heterostructure

We perform a first principles study to investigate the atomic structure, electronic properties and contact types of the graphene/F-diamane-like C4F2 heterostructure.

Download Full-text

The strain effect on the electronic properties of the MoSSe/WSSe van der Waals heterostructure: a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp00403k ◽

2020 ◽

Vol 22 (9) ◽

pp. 4946-4956 ◽

Cited By ~ 8

Author(s):

Wenyu Guo ◽

Xun Ge ◽

Shoutian Sun ◽

Yiqun Xie ◽

Xiang Ye

Keyword(s):

Electronic Properties ◽

First Principles ◽

Van Der Waals ◽

Strain Effect ◽

Vertical Strain ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

Vdw Heterostructure

The structural, mechanical and electronic properties of the MoSSe/WSSe van der Waals (vdW) heterostructure under various degrees of horizontal and vertical strain are systematically investigated based on first-principles methods.

Download Full-text