Chemically functionalized germanene for spintronic devices: a first-principles study

2016 ◽  
Vol 18 (14) ◽  
pp. 9809-9815 ◽  
Author(s):  
Jun Zhao ◽  
Hui Zeng
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Spintronic Devices ◽  
First Principles Study

We have carried out first-principles calculations to explore various chemically functionalized germanene nanomaterials as two-dimensional spintronic devices.

Ferromagnetic Dirac Half-Metallicity in Transition Metal Embedded Honeycomb Borophene

2021 ◽  
Author(s):  
Yanxia Wang ◽  
Xue Jiang ◽  
Yi Wang ◽  
Jijun Zhao
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Valence Electron ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Next Generation ◽  
Half Metallicity ◽  
Counting Rule ◽  
Spintronic Devices ◽  
Electron Counting

Exploring two-dimensional (2D) ferromagnetic materials with intrinsic Dirac half-metallicity is crucial for the development of next-generation spintronic devices. Based on first-principles calculations, here we propose a simple valence electron-counting rule...

scholarly journals A first principles study of the interaction between two-dimensional black phosphorus and Al2O3dielectric

RSC Advances ◽  
2017 ◽  
Vol 7 (23) ◽  
pp. 13777-13783 ◽  
Author(s):  
Jie Sun ◽  
Na Lin ◽  
Cheng Tang ◽  
Hao Ren ◽  
Xian Zhao
Keyword(s):  
Electronic Properties ◽  
First Principles ◽  
Black Phosphorus ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study

First principles calculations have been performed to study the structural, energetic, and electronic properties of BP on Al-terminated and hydroxylated Al2O3(0001) surfaces.

scholarly journals Two-dimensional blue phosphorene–BAs vdW heterostructure with optical and photocatalytic properties: a first-principles study

RSC Advances ◽  
2021 ◽  
Vol 11 (21) ◽  
pp. 13025-13029
Author(s):  
Khang D. Pham ◽  
C. V. Nguyen ◽  
Nguyen T. T. Binh ◽  
Cuong Q. Nguyen ◽  
M. Idrees ◽  
...  
Keyword(s):  
First Principles ◽  
Photocatalytic Properties ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Vdw Heterostructure ◽  
Blue Phosphorene

In this work, we investigated the electronic, optical and photocatalytic properties of a blue phosphorene–BAs (BlueP–BAs) vdW heterostructure using first-principles calculations.

scholarly journals First-principles study of magnetism in some novel MXene materials

RSC Advances ◽  
2020 ◽  
Vol 10 (72) ◽  
pp. 44430-44436
Author(s):  
Kan Luo ◽  
Xian-Hu Zha ◽  
Qing Huang ◽  
Cheng-Te Lin ◽  
Minghui Yang ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Critical Temperature ◽  
Monte Carlo Simulations ◽  
First Principles ◽  
Two Dimensional ◽  
Spintronic Devices ◽  
First Principles Study ◽  
Two Dimensional Materials

Magnetic two-dimensional materials have gained considerable attention due to their special topologies and promising applications in electronic and spintronic devices, and the critical temperature could be evaluated through Monte Carlo simulations.

scholarly journals Anisotropic optical properties induced by uniaxial strain of monolayer C3N: a first-principles study

RSC Advances ◽  
2019 ◽  
Vol 9 (23) ◽  
pp. 13133-13144 ◽  
Author(s):  
Qing-Yuan Chen ◽  
Ming-yang Liu ◽  
Chao Cao ◽  
Yao He
Keyword(s):  
Optical Properties ◽  
Electronic Properties ◽  
Structural Properties ◽  
First Principles ◽  
Uniaxial Strain ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study ◽  
Different Strains

The optical properties, structural properties and electronic properties of a new two-dimensional (2D) monolayer C3N under different strains are studied in this paper by using first-principles calculations.

Bimetallenes for selective electrocatalytic conversion of CO2: a first-principles study

2020 ◽  
Vol 8 (25) ◽  
pp. 12457-12462
Author(s):  
Zhonglong Zhao ◽  
Gang Lu
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
First Principles Study ◽  
First Time

Two-dimensional bimetallenes are explored for the first time as promising electrocatalysts for CO2 conversion by extensive first-principles calculations.

First-principles study of two-dimensional NbSe2H/g-ZnO van der Waals heterostructures as a water splitting photocatalyst

2021 ◽  
Author(s):  
Keat Hoe Yeoh ◽  
Khian-Hooi Chew ◽  
Tiem Leong Yoon ◽  
Robin Chang Yee Hui ◽  
Duu Sheng Ong
Keyword(s):  
Water Splitting ◽  
First Principles ◽  
Van Der Waals ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Van Der Waals Heterostructures ◽  
First Principles Study ◽  
Vdw Heterostructure

Based on first-principles calculations, we propose a new two-dimensional (2D) van der Waal (vdW) heterostructure that can be used as a photocatalyst for water splitting. The heterostructure consists of vertically...

Electrical control of topological spin textures in two-dimensional multiferroics

Nanoscale ◽  
2021 ◽  
Author(s):  
Jiawei Jiang ◽  
Rui Li ◽  
Wenbo Mi
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Micromagnetic Simulations ◽  
Spintronic Devices ◽  
Electrical Control

The electrical control of topological magnetism is an intensive topic in spintronic devices. Here, using first-principles calculations and micromagnetic simulations, we show that the potential of two-dimensional (2D) magnetoelectric multiferroics...

First-principles study of two-dimensional bilayer GaN: structure, electronic properties and temperature effect

2019 ◽  
Vol 58 (SC) ◽  
pp. SCCB35 ◽  
Author(s):  
Tomoe Yayama ◽  
Anh Khoa Augustin Lu ◽  
Tetsuya Morishita ◽  
Takeshi Nakanishi
Keyword(s):  
Temperature Effect ◽  
Electronic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Study
Sign in / Sign up

Export Citation Format

Share Document