Controlling the magnetic and optical responses of a MoS2 monolayer by lanthanide substitutional doping: a first-principles study

2017 ◽  
Vol 19 (37) ◽  
pp. 25555-25563 ◽  
Author(s):  
Cecil N. M. Ouma ◽  
Sobhit Singh ◽  
Kingsley O. Obodo ◽  
George O. Amolo ◽  
Aldo H. Romero
Keyword(s):  
Absorption Spectrum ◽  
First Principles ◽  
First Principles Study ◽  
Mos2 Monolayer ◽  
Optical Responses ◽  
Substitutional Doping ◽  
Field Parallel

The absorption spectrum and TDOS of lanthanide doped MoS2 for the E-field parallel and perpendicular to the xy-plane.

scholarly journals First-principles study of the electronic structures and absorption spectrum of Fe:Mg:LiNbO3 crystals

2015 ◽  
Vol 64 (12) ◽  
pp. 124210
Author(s):  
Zhao Bai-Qiang ◽  
Zhang Yun ◽  
Qiu Xiao-Yan ◽  
Wang Xue-Wei
Keyword(s):  
Absorption Spectrum ◽  
First Principles ◽  
Electronic Structures ◽  
First Principles Study

First principles study of single and multi-site transition metal dopant ions in MoS2 monolayer

2019 ◽  
Vol 21 ◽  
pp. e00419 ◽  
Author(s):  
Kingsley Onyebuchi Obodo ◽  
Cecil Naphtaly Moro Ouma ◽  
Joshua Tobechukwu Obodo ◽  
Moritz Braun ◽  
Dmitri Bessarabov
Keyword(s):  
Transition Metal ◽  
First Principles ◽  
First Principles Study ◽  
Mos2 Monolayer

Spin polarization and tunable valley degeneracy in a MoS2 monolayer via proximity coupling to a Cr2O3 substrate

Nanoscale ◽  
2019 ◽  
Vol 11 (41) ◽  
pp. 19536-19542 ◽  
Author(s):  
Kai Zhang ◽  
Lu Wang ◽  
Xiaojun Wu
Keyword(s):  
Spin Polarization ◽  
First Principles ◽  
Proximity Effect ◽  
First Principles Study ◽  
Mos2 Monolayer ◽  
Proximity Coupling ◽  
Magnetic Proximity Effect

A first-principles study demonstrates that spin polarization and tunable valley degeneracy can be induced in the MoS2 monolayer on a Cr2O3 substrate via the magnetic proximity effect.

A first-principles study of Cl2, PH3, AsH3, BBr3 and SF4 gas adsorption on MoS2 monolayer with S and Mo vacancy

2019 ◽  
Vol 489 ◽  
pp. 841-848 ◽  
Author(s):  
J. Meribah Jasmine ◽  
A. Aadhityan ◽  
C. Preferencial kala ◽  
D. John Thiruvadigal
Keyword(s):  
First Principles ◽  
Gas Adsorption ◽  
First Principles Study ◽  
Mos2 Monolayer

scholarly journals The first-principles study of absorption spectrum of C-doped anatase TiO2

2010 ◽  
Vol 59 (4) ◽  
pp. 2721
Author(s):  
Xu Ling ◽  
Tang Chao-Qun ◽  
Qian Jun
Keyword(s):  
Absorption Spectrum ◽  
First Principles ◽  
Anatase Tio2 ◽  
First Principles Study

scholarly journals First-principles study on the effect of high Mn doped on the band gap and absorption spectrum of ZnO

2013 ◽  
Vol 62 (3) ◽  
pp. 037101
Author(s):  
Hou Qing-Yu ◽  
Dong Hong-Ying ◽  
Ying Chun ◽  
Ma Wen
Keyword(s):  
Absorption Spectrum ◽  
Band Gap ◽  
First Principles ◽  
First Principles Study ◽  
Mn Doped

The adsorption and diffusion behavior of noble metal adatoms (Pd, Pt, Cu, Ag and Au) on a MoS2 monolayer: a first-principles study

2017 ◽  
Vol 19 (31) ◽  
pp. 20713-20722 ◽  
Author(s):  
Ping Wu ◽  
Naiqiang Yin ◽  
Peng Li ◽  
Wenjing Cheng ◽  
Min Huang
Keyword(s):  
Noble Metal ◽  
First Principles ◽  
Energy Barriers ◽  
Diffusion Behavior ◽  
First Principles Study ◽  
Mos2 Monolayer ◽  
And Diffusion

Cu/Pd/Cu adatoms diffuse on a MoS2 monolayer with higher energy barriers and lower mobilities than those of Ag/Au adatoms.

A first-principles study on the magnetic properties of nonmetal atom doped phosphorene monolayers

2015 ◽  
Vol 17 (25) ◽  
pp. 16341-16350 ◽  
Author(s):  
Huiling Zheng ◽  
Jianmin Zhang ◽  
Baishun Yang ◽  
Xiaobo Du ◽  
Yu Yan
Keyword(s):  
Magnetic Properties ◽  
Magnetic Moment ◽  
First Principles ◽  
First Principles Study ◽  
Substitutional Doping ◽  
Nonmetal Atom

Substitutional doping of C, O, Si, S and Se atoms can induce the magnetic moment in phosphorene monolayers.

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