Electronic, optical property and carrier mobility of graphene, black phosphorus, and molybdenum disulfide based on the first principles

2018 ◽  
Vol 27 (11) ◽  
pp. 118106 ◽  
Author(s):  
Congcong Wang ◽  
Xuesheng Liu ◽  
Zhiyong Wang ◽  
Ming Zhao ◽  
Huan He ◽  
...  
Keyword(s):  
Optical Property ◽  
Molybdenum Disulfide ◽  
First Principles ◽  
Carrier Mobility ◽  
Black Phosphorus

Stable puckered C2N2 nanosheet with giant anisotropic hole carrier mobility: insights from first-principles

2020 ◽  
Vol 8 (44) ◽  
pp. 15655-15663
Author(s):  
Yanli Wang ◽  
Yi Ding
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Carbon Nitride ◽  
Hole Mobility ◽  
Black Phosphorus ◽  
Anisotropic Behavior

Based on black-phosphorus-like nitrogen, we propose a puckered carbon nitride with an ultrahigh hole mobility and remarkable anisotropic behavior.

Theoretical prediction of intrinsic carrier mobility of monolayer C7N6: First-principles study

2021 ◽  
pp. 127340
Author(s):  
Yajing Zhang ◽  
Shuo Cao ◽  
Yanzhou Wang ◽  
Xiaodong Jian ◽  
Libin Shi ◽  
...  
Keyword(s):  
Theoretical Prediction ◽  
First Principles ◽  
Carrier Mobility ◽  
First Principles Study

First-principles prediction of ferroelasticity tuned anisotropic auxeticity and carrier mobility in two-dimensional AgO

2021 ◽  
Author(s):  
Lei Zhang ◽  
Cheng Tang ◽  
Chunmei Zhang ◽  
Yuantong Gu ◽  
Aijun Du
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Two Dimensional

A novel AgO monolayer is highlighted with ferroelasticity tuned anisotropic mechanical and electronic properties.

Surface charge transfer doping of monolayer molybdenum disulfide by black phosphorus quantum dots

2016 ◽  
Vol 27 (50) ◽  
pp. 505204 ◽  
Author(s):  
Wei Wang ◽  
Xinyue Niu ◽  
Haolei Qian ◽  
Liao Guan ◽  
Ming Zhao ◽  
...  
Keyword(s):  
Quantum Dots ◽  
Charge Transfer ◽  
Surface Charge ◽  
Molybdenum Disulfide ◽  
Black Phosphorus ◽  
Black Phosphorus Quantum Dots

Structural design principles for low hole effective mass s-orbital-based p-type oxides

2017 ◽  
Vol 5 (23) ◽  
pp. 5772-5779 ◽  
Author(s):  
Viet-Anh Ha ◽  
Francesco Ricci ◽  
Gian-Marco Rignanese ◽  
Geoffroy Hautier
Keyword(s):  
Effective Mass ◽  
First Principles ◽  
Structural Design ◽  
Carrier Mobility ◽  
Design Principles ◽  
Hole Effective Mass ◽  
P Type

We demonstrate through first principles computations how the metal–oxygen–metal angle directly drives the hole effective mass (thus the carrier mobility) in p-type s-orbital-based oxides.

The Unique Carrier Mobility of Monolayer Janus MoSSe Nanoribbons: A First-Principles Study

2021 ◽  
Author(s):  
Wenjin Yin ◽  
Yu Liu ◽  
Bo Wen ◽  
Xi-Bo Li ◽  
Yi-Feng Chai ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Transport Properties ◽  
Electronic Properties ◽  
First Principles ◽  
Carrier Mobility ◽  
Charge Carrier Mobility ◽  
Semiconductor Materials ◽  
Nanoscale Devices ◽  
First Principles Study ◽  
Determining Factor

Charge-carrier mobility is a determining factor for the transport properties of semiconductor materials, and strongly related to the opto-electronics performance of nanoscale devices. Here, we investigate the electronic properties and...

Semiconducting two-dimensional group VA–VA haeckelite compounds with superior carrier mobility

2020 ◽  
Vol 22 (21) ◽  
pp. 12260-12266
Author(s):  
Xin-Yue Lin ◽  
Fan-Shun Meng ◽  
Qi-Chao Liu ◽  
Qi Xue ◽  
Hui Zhang
Keyword(s):  
First Principles ◽  
Carrier Mobility ◽  
Single Layer ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Dimensional Group ◽  
Binary Group

A series of two-dimensional (2D) single-layer binary group VA–VA crystals, where VA represents P, As, Sb and Bi, are explored by the first-principles calculations.

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