Room Temperature Spontaneous Valley Polarization in Two-dimensional FeClBr Monolayer

Nanoscale ◽  
2021 ◽  
Author(s):  
Rui Li ◽  
Jiawei Jiang ◽  
Wenbo Mi ◽  
Haili Bai
Keyword(s):  
First Principles ◽  
Room Temperature ◽  
Ferromagnetic Semiconductor ◽  
Degree Of Freedom ◽  
Information Storage ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Valley Polarization ◽  
Bloch Electrons

Valley degree of freedom of Bloch electrons provides a proper platform to realize information storage and processing. Using first-principles calculations, we propose that FeClBr monolayer is a ferromagnetic semiconductor with...

Room-temperature Ferromagnetism in Two-dimensional Transition Metal Borides: A First-principles Investigation

2021 ◽  
Author(s):  
Fang Wu ◽  
Min Dou ◽  
Huan Li ◽  
Yunfei Liu ◽  
Qingnian Yao ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Room Temperature ◽  
Room Temperature Ferromagnetism ◽  
Ferromagnetic Materials ◽  
Information Storage ◽  
Two Dimensional ◽  
Storage Media ◽  
Metal Borides ◽  
Generation Information

It is important to predict new two-dimensional (2D) ferromagnetic materials for next-generation information storage media. However, discovered 2D ferromagnetic materials are still rare. Here, we explored that 2D transition metal...

A 2D ferromagnetic semiconductor in monolayer Cr-trihalide and its Janus structures

2018 ◽  
Vol 20 (33) ◽  
pp. 21755-21763 ◽  
Author(s):  
Mohammed Moaied ◽  
Jiyoul Lee ◽  
Jisang Hong
Keyword(s):  
Physical Properties ◽  
First Principles ◽  
Ferromagnetic Semiconductor ◽  
Two Dimensional ◽  
First Principles Calculations

Using first principles calculations, we explored the physical properties of two-dimensional (2D) Cr-trihalide X3–Cr2–X3 or CrX3 (X = Cl, Br, I) and its Janus monolayers X3–Cr2–Y3 (X and Y = Cl, Br, I) where X ≠ Y.

Lead monoxide: a two-dimensional ferromagnetic semiconductor induced by hole-doping

2017 ◽  
Vol 5 (18) ◽  
pp. 4520-4525 ◽  
Author(s):  
Yao Wang ◽  
Qingyun Zhang ◽  
Qian Shen ◽  
Yingchun Cheng ◽  
Udo Schwingenschlögl ◽  
...  
Keyword(s):  
Valence Band ◽  
First Principles ◽  
Ferromagnetic Semiconductor ◽  
Band Edge ◽  
Hole Doping ◽  
Valence Band Edge ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Van Hove Singularity ◽  
Lead Monoxide

We employ first-principles calculations to demonstrate ferromagnetic ground states for single- and multi-layer lead monoxide (PbO) under hole-doping, originating from a van Hove singularity at the valence band edge.

New family of room temperature quantum spin Hall insulators in two-dimensional germanene films

2016 ◽  
Vol 4 (10) ◽  
pp. 2088-2094 ◽  
Author(s):  
Run-wu Zhang ◽  
Wei-xiao Ji ◽  
Chang-wen Zhang ◽  
Sheng-shi Li ◽  
Ping Li ◽  
...  
Keyword(s):  
First Principles ◽  
Topological Insulators ◽  
Room Temperature ◽  
Quantum Spin ◽  
Band Gaps ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
New Family ◽  
Temperature Applications ◽  
Quantum Spin Hall

Based on first-principles calculations, we predict that 2D germanene decorated with ethynyl-derivatives (GeC2X; X = H, F, Cl, Br, I) can be topological insulators with large band-gaps for room-temperature applications.

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...

SIn2Te/TeIn2Se: a type-II heterojunction as water-splitting photocatalyst with high solar energy harvesting

2021 ◽  
Author(s):  
Peishen Shang ◽  
Chunxiao Zhang ◽  
Mengshi Zhou ◽  
Chaoyu He ◽  
Tao Ouyang ◽  
...  
Keyword(s):  
Energy Harvesting ◽  
Solar Energy ◽  
Water Splitting ◽  
First Principles ◽  
Type Ii ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Solar Energy Harvesting ◽  
Renewable Hydrogen

Searching for photocatalysts is crucial for the production of renewable hydrogen from water. Two-dimensional (2D) vdW heterojunctions show great potential. Using first- principles calculations within the HSE06 functional, we propose...

Designing two Dimensional Dodecagonal Boron Nitride

CrystEngComm ◽  
2022 ◽  
Author(s):  
Hajime Suzuki ◽  
Itsuki Miyazato ◽  
Tanveer Hussain ◽  
Fatih Ersan ◽  
Satoshi Maeda ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations

Two-dimensional dodecagonal boron nitride is designed via first principles calculations. Calculations unveil that the proposed two-dimensional dodecagonal boron nitride is energetically stable and less dense than what is observed with...

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