(Invited) Probing Electronic Transport Properties in Two-Dimensional Materials Using First Principles Calculations

2020 ◽  
Vol MA2020-01 (50) ◽  
pp. 2765-2765
Author(s):  
Marcelo A. Kuroda
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Electronic Transport Properties ◽  
Two Dimensional Materials

The electronic transport properties of zigzag silicene nanoribbon slices with edge hydrogenation and oxidation

2016 ◽  
Vol 18 (16) ◽  
pp. 11513-11519 ◽  
Author(s):  
Dongqing Zou ◽  
Wenkai Zhao ◽  
Changfeng Fang ◽  
Bin Cui ◽  
Desheng Liu
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic Transport Properties

First principles calculations were carried out to investigate the electronic transport properties of H or H2 edge-hydrogenated zigzag silicene nanoribbon (ZSiNR) slices, as well as OH or O edge-oxidized ZSiNR slices connected with H-terminated ZSiNR electrodes.

Multifunctional heterostructures constructed using MoS2 and WS2 nanoribbons

2016 ◽  
Vol 18 (39) ◽  
pp. 27468-27475 ◽  
Author(s):  
Yi Zhou ◽  
Jichen Dong ◽  
Hui Li
Keyword(s):  
Density Functional Theory ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function

Using first-principles calculations based on nonequilibrium Green's function together with density functional theory, we investigated the electronic transport properties of some devices consisting of armchair and zigzag MoS2NRs/WS2NRs in-plane heterostructures.

Remarkable negative differential resistance and perfect spin-filtering effects of the indium triphosphide (InP3) monolayer tuned by electric and optical ways

2018 ◽  
Vol 20 (46) ◽  
pp. 29440-29445 ◽  
Author(s):  
Shenghui Zhang ◽  
Yiqun Xie ◽  
Yibin Hu ◽  
Xiaobin Niu ◽  
Yin Wang
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Negative Differential Resistance ◽  
Differential Resistance ◽  
Two Dimensional ◽  
Electronic Transport Properties ◽  
Two Dimensional Materials ◽  
Spin Polarized ◽  
Spin Filtering

Fully spin-polarized current and negative differential resistance (NDR) are two important electronic transport properties for spintronic nanodevices based on two-dimensional materials.

First principles study of electronic transport properties in novel FeB2 flake-based nanodevices

2018 ◽  
Vol 20 (6) ◽  
pp. 4455-4465 ◽  
Author(s):  
Jie Li ◽  
Yunrui Duan ◽  
Yifan Li ◽  
Tao Li ◽  
Long-Wei Yin ◽  
...  
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic Transport Properties ◽  
First Principles Study ◽  
Theoretical Support

First-principles calculations provide theoretical support for the promising applications of innovative two-probe devices based on FeB2 flakes and reveal the superiority of devices with FeB2 flakes at temperatures not above 1000 K in transport properties.

Energetic stability, STM fingerprints and electronic transport properties of defects in graphene and silicene

RSC Advances ◽  
2016 ◽  
Vol 6 (8) ◽  
pp. 6702-6708 ◽  
Author(s):  
Soumyajyoti Haldar ◽  
Rodrigo G. Amorim ◽  
Biplab Sanyal ◽  
Ralph H. Scheicher ◽  
Alexandre R. Rocha
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
Two Dimensional ◽  
Electronic Transport Properties ◽  
Two Dimensional Materials ◽  
Energetic Stability

Novel two-dimensional materials such as graphene and silicene have been heralded as possibly revolutionary in future nanoelectronics.

Tuning anisotropic electronic transport properties of phosphorene via substitutional doping

2016 ◽  
Vol 18 (37) ◽  
pp. 25869-25878 ◽  
Author(s):  
Caixia Guo ◽  
Congxin Xia ◽  
Lizhen Fang ◽  
Tianxing Wang ◽  
Yufang Liu
Keyword(s):  
Transport Properties ◽  
Electronic Transport ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic Transport Properties ◽  
Substitutional Doping

Using first-principles calculations, we studied the anisotropic electronic transport properties of pristine and X-doped phosphorene (X = B, Al, Ga, C, Si, Ge, N, As, O, S, and Se atoms).

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