A super stable assembled P nanowire with variant structural and magnetic/electronic properties via transition metal adsorption

Nanoscale ◽  
2020 ◽  
Vol 12 (23) ◽  
pp. 12454-12461 ◽  
Author(s):  
Shukai Wang ◽  
Jinxing Gu ◽  
Yinan Dong ◽  
Linwei Sai ◽  
Fengyu Li
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
Metal Adsorption ◽  
First Principles Calculations ◽  
One Dimensional

By means of first-principles calculations, a super stable one-dimensional P nanowire was assembled by P8 and P2 clusters, and sandwich chains with diverse magnetic and electronic properties can be reached upon transition metal adsorption.

One-dimensional transition metal dihalide nanowires as robust bipolar magnetic semiconductors

Nanoscale ◽  
2020 ◽  
Vol 12 (16) ◽  
pp. 8942-8948
Author(s):  
Xingyi Tan ◽  
Lili Liu ◽  
Hui Xiang ◽  
Gui-Fang Du ◽  
Ao Lou ◽  
...  
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
Magnetic Semiconductors ◽  
First Principles Calculations ◽  
One Dimensional ◽  
New Family

Herein, a new family of 1D transition metal dihalide (TMCl2) nanowires are proposed by using first-principles calculations.

Magnetism in 3d transition metal doped SnO

2016 ◽  
Vol 4 (38) ◽  
pp. 8947-8952 ◽  
Author(s):  
A. Albar ◽  
U. Schwingenschlögl
Keyword(s):  
Transition Metal ◽  
Electronic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Structural And Electronic Properties ◽  
Metal Doped

Using first principles calculations, we investigate the structural and electronic properties of 3d transition metal doped SnO.

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.

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