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.

First-principles investigations of transition-metal doped bilayer WS2

2016 ◽  
Vol 18 (15) ◽  
pp. 10152-10157 ◽  
Author(s):  
Yi Yang ◽  
Xiao-Li Fan ◽  
Rui Pan ◽  
Wen-Jun Guo
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Metal Doped

The structural, electronic and magnetic properties of the AA and AB configurations of bilayer WS2 with a TM (Mn, Fe, Co, Ni) doped in the interlayer position were studied by performing first-principles calculations.

scholarly journals 3d transition metal doping-induced electronic structures and magnetism in 1T-HfSe2 monolayers

RSC Advances ◽  
2017 ◽  
Vol 7 (83) ◽  
pp. 52747-52754 ◽  
Author(s):  
Xu Zhao ◽  
Congxia Yang ◽  
Tianxing Wang ◽  
Xu Ma ◽  
Shuyi Wei ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Electronic Structures ◽  
Transition Metal Doping ◽  
First Principles Calculations ◽  
Metal Doping ◽  
Electronic And Magnetic Properties

By performing first-principles calculations, we explore the structural, electronic and magnetic properties of 3d transition metal (TM) atom-doped 1T-HfSe2 monolayers.

Electronic and magnetic properties of honeycomb transition metal monolayers: first-principles insights

2014 ◽  
Vol 16 (26) ◽  
pp. 13383-13389 ◽  
Author(s):  
Xinru Li ◽  
Ying Dai ◽  
Yandong Ma ◽  
Baibiao Huang
Keyword(s):  
Field Theory ◽  
Monte Carlo ◽  
Magnetic Properties ◽  
Transition Metal ◽  
First Principles ◽  
Mean Field Theory ◽  
Mean Field ◽  
Electronic And Magnetic Properties ◽  
Dirac Systems

The electronic and magnetic properties of d-electron-based Dirac systems are studied by combining first-principles with mean field theory and Monte Carlo approaches.

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.

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