Manipulating the electronic and magnetic properties of ZnO monolayer by noble metal adsorption: A first-principles calculations

2019 ◽  
Vol 479 ◽  
pp. 440-448 ◽  
Author(s):  
Lanli Chen ◽  
Shaozhen Li ◽  
Yuanyuan Cui ◽  
Zhihua Xiong ◽  
Hongjie Luo ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Noble Metal ◽  
First Principles ◽  
Metal Adsorption ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties

Modulation of electronic and magnetic properties of edge hydrogenated armchair phosphorene nanoribbons by transition metal adsorption

2018 ◽  
Vol 20 (18) ◽  
pp. 12916-12922 ◽  
Author(s):  
Yong-Chao Rao ◽  
Peng Zhang ◽  
Shun-Fang Li ◽  
Xiang-Mei Duan ◽  
Su-Huai Wei
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Systematic Investigation ◽  
Metal Adsorption ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties

Based on first-principles calculations, we present a systematic investigation of the electronic and magnetic properties of armchair phosphorene nanoribbons (APNRs) functionalized by 3d transition metal (TM) atoms.

Electronic and magnetic properties of the Janus MoSSe/WSSe superlattice nanoribbon: a first-principles study

2020 ◽  
Vol 22 (4) ◽  
pp. 2498-2508 ◽  
Author(s):  
Lingling Yu ◽  
Shoutian Sun ◽  
Xiang Ye
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Period Length ◽  
First Principles Calculations ◽  
Ribbon Width ◽  
Electronic And Magnetic Properties ◽  
First Principles Study ◽  
Structure Properties

The electronic structure properties of Janus MoSSe/WSSe superlattice nanoribbons (SLNRs) are investigated by first-principles calculations. The ribbon width, combination ratio and period length have a great effect on the properties of the SLNRs.

Magnetism and hybrid improper ferroelectricity in LaMO3/YMO3 superlattices

2019 ◽  
Vol 21 (36) ◽  
pp. 20132-20136 ◽  
Author(s):  
Pengxia Zhou ◽  
Shuaihua Lu ◽  
Chuanfu Li ◽  
Chonggui Zhong ◽  
Zhiyun Zhao ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties

Using first-principles calculations, we investigate the structural, electronic, and magnetic properties of perovskite LaMO3/YMO3 superlattices (M = Cr, Mn, Co and Ni).

Tuning intrinsic ferromagnetic and anisotropic properties of the Janus VSeS monolayer

2020 ◽  
Vol 8 (38) ◽  
pp. 13286-13296
Author(s):  
Mahsa Abdollahi ◽  
Meysam Bagheri Tagani
Keyword(s):  
Magnetic Properties ◽  
Curie Temperature ◽  
First Principles ◽  
2D Materials ◽  
High Curie Temperature ◽  
First Principles Calculations ◽  
Ferromagnetic Properties ◽  
Anisotropic Properties ◽  
Electronic And Magnetic Properties ◽  
New Class

Motivated by the intrinsic ferromagnetic properties and high Curie temperature of V-based Janus dichalcogenide monolayers as a new class of 2D materials, we investigated the structural, electronic and magnetic properties of the Janus VSeS monolayer by first-principles calculations.

Tunable electronic structure and magnetic moment in C2N nanoribbons with different edge functionalization atoms

2017 ◽  
Vol 19 (23) ◽  
pp. 15021-15029 ◽  
Author(s):  
Yusheng Wang ◽  
Nahong Song ◽  
Min Jia ◽  
Dapeng Yang ◽  
Chikowore Panashe ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Electronic Structure ◽  
Magnetic Moment ◽  
First Principles ◽  
Density Functional ◽  
First Principles Calculations ◽  
Functional Theory ◽  
Electronic And Magnetic Properties

First principles calculations based on density functional theory were carried out to study the electronic and magnetic properties of C2N nanoribbons (C2NNRs).

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