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.

scholarly journals Ferrimagnetic half-metallic properties of Cr/Fe δ doped MoS2 monolayer

RSC Advances ◽  
2017 ◽  
Vol 7 (33) ◽  
pp. 20116-20122 ◽  
Author(s):  
M. D. Xie ◽  
C. G. Tan ◽  
Pan Zhou ◽  
J. G. Lin ◽  
L. Z. Sun
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Mos2 Monolayer

From first-principles calculations, Cr/Fe δ-type doping effectively modulates electronic and magnetic properties of monolayer MoS2. Compared with ferromagnetic half-metallic Fe δ-type doped MoS2, Cr and Fe alternately δ-type codoped MoS2 is ferrimagnetic and half-metallic.

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.

Electronic and magnetic properties of the one-dimensional interfaces of two-dimensional lateral GeC/BP heterostructures

2019 ◽  
Vol 21 (17) ◽  
pp. 8856-8864 ◽  
Author(s):  
Hao Wang ◽  
Wei Wei ◽  
Fengping Li ◽  
Baibiao Huang ◽  
Ying Dai
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
One Dimensional ◽  
Electronic And Magnetic Properties ◽  
The One

We studied the electronic and magnetic properties of one-dimensional (1D) interfaces of two dimensional (2D) GeC/BP lateral heterostructures by first-principles calculations.

First-principles calculations to investigate strain, electric field, and atom impurities effects on the electronic and magnetic properties of RuX_2 (X=S,Se) nanosheets

2021 ◽  
Author(s):  
Yusuf Zuntu Abdullahi ◽  
Sohail Ahmad
Keyword(s):  
Magnetic Properties ◽  
Electric Field ◽  
Hydrogen Evolution ◽  
First Principles ◽  
Two Dimensional ◽  
First Principles Calculations ◽  
Electronic And Magnetic Properties ◽  
Experimental Group

An experimental group (Angew. Chem. Int. Ed.2021,60, 7013–7017) has recently demonstrated the synthesis of two-dimensional (2D) RuSe_2. It was shown to hold promise for hydrogen evolution due to enhanced HER...

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.

scholarly journals Pressure dependent half-metallic ferromagnetism in inverse Heusler alloy Fe2CoAl: a DFT+U calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44633-44640
Author(s):  
D. P. Rai ◽  
Lalrinkima ◽  
Lalhriatzuala ◽  
L. A. Fomin ◽  
I. V. Malikov ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Curie Temperature ◽  
First Principles ◽  
Heusler Alloy ◽  
Computational Method ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Full Heusler ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

We report the electronic and magnetic properties along with the Curie temperature (TC) of the inverse full Heusler alloy (HA) Fe2CoAl obtained using the first-principles computational method.

scholarly journals Electronic Structure and Energy Band of IIIA Doped Group ZnO Nanosheets

2013 ◽  
Vol 2013 ◽  
pp. 1-6 ◽  
Author(s):  
Xian-Yang Feng ◽  
Zhe Wang ◽  
Chang-Wen Zhang ◽  
Pei-Ji Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Band Gap ◽  
First Principles ◽  
Energy Band ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Zno Nanosheets ◽  
Doped Zno

The electronic and magnetic properties of IIIA group doped ZnO nanosheets (ZnONSs) are investigated by the first principles. The results show that the band gap of ZnO nanosheets increases gradually along with Al, Ga, and In ions occupying Zn sites and O sites. The configuration of Al atoms replacing Zn atoms is more stable than other doped. The system shows half-metallic characteristics for In-doped ZnO nanosheets.

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