scholarly journals Stability and local magnetic moment of bilayer graphene by intercalation: first principles study

RSC Advances ◽  
2018 ◽  
Vol 8 (35) ◽  
pp. 19732-19738 ◽  
Author(s):  
Jinsen Han ◽  
Dongdong Kang ◽  
Jiayu Dai
Keyword(s):  
Magnetic Properties ◽  
Magnetic Moment ◽  
First Principles ◽  
Local Magnetic Moment ◽  
Bilayer Graphene ◽  
Intercalation Compounds ◽  
First Principles Study ◽  
Magnetic Elements

The migration and magnetic properties of the bilayer graphene with intercalation compounds (BGICs) with magnetic elements are theoretically investigated based on first principles study.

Magnetic properties of Fe-pnictides superconductors as a function of pressure and doping

2012 ◽  
Vol 1434 ◽  
Author(s):  
Gianni Profeta ◽  
Nicola Colonna ◽  
Alessandra Continenza
Keyword(s):  
Magnetic Properties ◽  
Magnetic Moment ◽  
First Principles ◽  
Local Magnetic Moment ◽  
Theoretical Description ◽  
Pressure Effects ◽  
Experimental Conditions ◽  
Long Wavelength ◽  
Local Fluctuations ◽  
Pressure Phase

ABSTRACTWe present a first principles study of the electronic and magnetic properties of Fe-based pnicitdes superconductors as a function of pressure and doping. We show that the magnetic phase and a local magnetic moment persists at doping level quite larger than what found in experiments and the pressure phase diagram consists of a paramagnetic, antiferromagnetic and non-magnetic phases.Although this result calls for the inclusion of long-wavelength or local fluctuations of iron magnetic moment and non-hydrostatic pressure effects, in order to improve the theoretical description of real experimental conditions, recent photoemission experiments[1] reconcile these DFT results, showing a local magnetic moment on Fe site different from zero in the paramagnetic, antiferromagnetic and the superconducting phase.

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.

A first-principles study on the magnetic properties of Sc, V, Cr and Mn-doped monolayer TiS3

RSC Advances ◽  
2016 ◽  
Vol 6 (60) ◽  
pp. 55194-55202 ◽  
Author(s):  
Huiling Zheng ◽  
Mingfeng Zhu ◽  
Jianmin Zhang ◽  
Xiaobo Du ◽  
Yu Yan
Keyword(s):  
Magnetic Properties ◽  
Magnetic Moment ◽  
First Principles ◽  
First Principles Study ◽  
Substitutional Doping ◽  
Mn Doped

Substitutional doping of V, Cr and Mn atoms can induce the magnetic moment in monolayer TiS3.

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