Computational search for two-dimensional intrinsic half-metals in transition-metal dinitrides

2017 ◽  
Vol 5 (3) ◽  
pp. 727-732 ◽  
Author(s):  
Junyan Liu ◽  
Zhifeng Liu ◽  
Tielei Song ◽  
Xin Cui
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Two Dimensional ◽  
Half Metallicity ◽  
2D Material ◽  
Half Metals ◽  
Computational Search

A promising 2D material (1T-TaN2 monolayer) with intrinsic half-metallicity and ferromagnetism has been characterized by a first-principles computational search.

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...

First-Principles Prediction of Polar Half-Metallicity and Out-of-Plane Piezoelectricity in Two-Dimensional Quintuple Layered Cobalt Selenide

2021 ◽  
Author(s):  
Cheng Tang ◽  
Lei Zhang ◽  
Yalong Jiao ◽  
Chunmei Zhang ◽  
Stefano Sanvito ◽  
...  
Keyword(s):  
First Principles ◽  
Two Dimensional ◽  
Half Metallicity ◽  
Quantum Devices ◽  
Half Metals ◽  
Out Of Plane ◽  
Cobalt Selenide

Polar half-metals, possessing both polarity and half-metallicity, may have potential as media in novel spintronic quantum devices, but they have never been reported in the two-dimensional (2D) form. By combining...

Orbital Design of Two-Dimensional Transition-Metal Peroxide Kagome Crystals with Anionogenic Dirac Half-Metallicity

2021 ◽  
pp. 3528-3534
Author(s):  
Daoxiong Wu ◽  
Haifeng Lv ◽  
Zhiwen Zhuo ◽  
Xingxing Li ◽  
Xiaojun Wu ◽  
...  
Keyword(s):  
Transition Metal ◽  
Two Dimensional ◽  
Half Metallicity

First-principles screening of single transition metal atoms anchored on two-dimensional C9N4 for the nitrogen reduction reaction

2021 ◽  
Vol 23 (14) ◽  
pp. 8784-8791
Author(s):  
Qingling Meng ◽  
Ling Zhang ◽  
Jinge Wu ◽  
Shuwei Zhai ◽  
Xiamin Hao ◽  
...  
Keyword(s):  
Nitrogen Fixation ◽  
Transition Metal ◽  
First Principles ◽  
Reduction Reaction ◽  
Single Atom ◽  
Two Dimensional ◽  
Metal Atoms ◽  
Transition Metal Atoms ◽  
Catalytically Active ◽  
Single Transition

Theoretical screening of transition metal atoms anchored on monolayer C9N4 as highly stable, catalytically active and selective single-atom catalysts for nitrogen fixation.

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...

First principles studies on electronic and contact properties of Single layer 2H-MoS2/1T'-MX2 heterojunctions

2022 ◽  
Author(s):  
Jiao Yu ◽  
Caijuan Xia ◽  
Zhengyang Hu ◽  
jianping Sun ◽  
Xiaopeng Hao ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Field Effect ◽  
Field Effect Transistors ◽  
Single Layer ◽  
Metal Chalcogenides ◽  
Two Dimensional ◽  
Transition Metal Chalcogenides

With in-plane heterojunction contacts between semiconducting 2H phase (as channel) and the metallic 1T' phase (as electrode), the two-dimensional (2D) transition metal chalcogenides (TMDs) field-effect transistors (FETs) have received much...

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