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.

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.

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.

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.

The magnetic and optical properties of 3d transition metal doped SnO2 nanosheets

RSC Advances ◽  
2015 ◽  
Vol 5 (31) ◽  
pp. 24306-24312 ◽  
Author(s):  
Yong Feng ◽  
Wei-Xiao Ji ◽  
Bao-Jun Huang ◽  
Xin-lian Chen ◽  
Feng Li ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Optical Properties ◽  
Electronic Structure ◽  
Transition Metal ◽  
Metal Atom ◽  
First Principles ◽  
Transition Metal Atom ◽  
First Principles Calculations ◽  
Metal Doped

Based on first-principles calculations, we study the electronic structure, magnetic properties and optical properties of transition metal atom doped SnO2NSs.

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