The electric and magnetic properties of novel two-dimensional MnBr2 and MnI2 from first-principles calculations

2020 ◽  
Vol 128 (11) ◽  
pp. 113901
Author(s):  
Jia Luo ◽  
Gang Xiang ◽  
Yongliang Tang ◽  
Kai Ou ◽  
Xianmei Chen
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations

Magnetism of elemental two-dimensional metals

2021 ◽  
Vol 9 (13) ◽  
pp. 4554-4561
Author(s):  
Yinti Ren ◽  
Liang Hu ◽  
Yangfan Shao ◽  
Yijian Hu ◽  
Li Huang ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Coordination Number ◽  
First Principles ◽  
Energy Band ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Out Of Plane ◽  
D Orbitals

The magnetic properties of 45 2D metals are explored using first-principles calculations. Of the 45 2D metals, 18 are found to be magnetic due to a coordination number decrease and the energy band narrowing of the out-of-plane d orbitals.

Tunable band gap and magnetism of the two-dimensional nickel hydroxide

RSC Advances ◽  
2015 ◽  
Vol 5 (94) ◽  
pp. 77154-77158 ◽  
Author(s):  
Zhen-Kun Tang ◽  
Wei-Wei Liu ◽  
Deng-Yu Zhang ◽  
Woon-Ming Lau ◽  
Li-Min Liu
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
Nickel Hydroxide ◽  
First Principles ◽  
Electronic Structures ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Tunable Band Gap

The electronic structures and magnetic properties of two dimensional (2D) hexagonal Ni(OH)2 are explored based on first-principles calculations.

Half-metallic and magnetic semiconducting behaviors of metal-doped blue phosphorus nanoribbons from first-principles calculations

2018 ◽  
Vol 20 (11) ◽  
pp. 7635-7642 ◽  
Author(s):  
Si-Cong Zhu ◽  
Cho-Tung Yip ◽  
Shun-Jin Peng ◽  
Kai-Ming Wu ◽  
Kai-Lun Yao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Metal Atom ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Metal Doped ◽  
Blue Phosphorene

We investigate the electronic and magnetic properties of substitutional metal atom impurities in two-dimensional (2D) blue phosphorene nanoribbons using first-principles calculations.

Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

2019 ◽  
Vol 21 (17) ◽  
pp. 8856-8864 ◽  
Author(s):  
Hao Wang ◽  
Wei Wei ◽  
Fengping Li ◽  
Baibiao Huang ◽  
Ying Dai
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
One Dimensional ◽  
Electronic And Magnetic Properties ◽  
The One

We studied the electronic and magnetic properties of one-dimensional (1D) interfaces of two dimensional (2D) GeC/BP lateral heterostructures by first-principles calculations.

First-principles calculations to investigate strain, electric field, and atom impurities effects on the electronic and magnetic properties of RuX_2 (X=S,Se) nanosheets

2021 ◽  
Author(s):  
Yusuf Zuntu Abdullahi ◽  
Sohail Ahmad
Keyword(s):  
Magnetic Properties ◽  
Electric Field ◽  
Hydrogen Evolution ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Experimental Group

An experimental group (Angew. Chem. Int. Ed.2021,60, 7013–7017) has recently demonstrated the synthesis of two-dimensional (2D) RuSe_2. It was shown to hold promise for hydrogen evolution due to enhanced HER...

scholarly journals Dipole-induced Ohmic contacts between monolayer Janus MoSSe and bulk metals

2021 ◽  
Vol 5 (1) ◽  
Author(s):  
Ning Zhao ◽  
Udo Schwingenschlögl
Keyword(s):  
First Principles ◽  
Ohmic Contacts ◽  
Electrode Materials ◽  
Electronic Device ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Fermi Level Pinning ◽  
Common Electrode ◽  
Two Sides ◽  
Metallic Electrodes

AbstractUtilizing a two-dimensional material in an electronic device as channel layer inevitably involves the formation of contacts with metallic electrodes. As these contacts can dramatically affect the behavior of the device, we study the electronic properties of monolayer Janus MoSSe in contact with different metallic electrodes by first-principles calculations, focusing on the differences in the characteristics of contacts with the two sides of MoSSe. In particular, we demonstrate that the Fermi level pinning is different for the two sides of MoSSe, with the magnitude resembling that of MoS2 or MoSe2, while both sides can form Ohmic contacts with common electrode materials without any further adaptation, which is an outstanding advantage over MoS2 and MoSe2.

scholarly journals Two-dimensional Weyl points and nodal lines in pentagonal materials and their optical response

Nanoscale ◽  
2021 ◽  
Author(s):  
Sergio Bravo ◽  
M. Pacheco ◽  
V. Nuñez ◽  
J. D. Correa ◽  
Leonor Chico
Keyword(s):  
First Principles ◽  
Optical Response ◽  
Symmetry Analysis ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Nodal Lines

A symmetry analysis combined with first-principles calculations of two-dimensional pentagonal materials (PdSeTe, PdSeS, InP5 and GeBi2) based on the Cairo tiling reveal nontrivial spin textures, nodal lines and Weyl points.

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...

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