First-principles calculations of magnetic properties of Zr doped rare earth-transition metal (1:7) alloys

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.

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Modulation of electronic and magnetic properties of edge hydrogenated armchair phosphorene nanoribbons by transition metal adsorption

Physical Chemistry Chemical Physics ◽

10.1039/c8cp00880a ◽

2018 ◽

Vol 20 (18) ◽

pp. 12916-12922 ◽

Cited By ~ 7

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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Assembling a bi-coordinated Cr complex for ferromagnetic nanorings: insight from first-principles calculations

Physical Chemistry Chemical Physics ◽

10.1039/c6cp01908k ◽

2016 ◽

Vol 18 (27) ◽

pp. 17868-17874

Author(s):

Guizhi Zhu ◽

Junyi Liu ◽

Qiang Sun ◽

Puru Jena

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

First Principles Calculations ◽

Organic Complexes ◽

Metal Organic ◽

Ferromagnetic Nanorings ◽

1D Chains ◽

Recent Synthesis

Motivated by the recent synthesis of bi-coordinated transition metal–organic complexes [Samuel, et al., Chem. Sci., 2015, 6, 3148], we have studied the structure and magnetic properties of a series of bi-coordinated transition metal based nanorings by folding quasi-1D chains.

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Cupratelike electronic and magnetic properties of layered transition-metal difluorides from first-principles calculations

Physical Review B ◽

10.1103/physrevb.101.195116 ◽

2020 ◽

Vol 101 (19) ◽

Cited By ~ 1

Author(s):

Clark Miller ◽

Antia Sanchez Botana

Keyword(s):

Magnetic Properties ◽

Transition Metal ◽

First Principles ◽

First Principles Calculations ◽

Electronic And Magnetic Properties ◽

Layered Transition Metal

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3d transition metal doping-induced electronic structures and magnetism in 1T-HfSe2 monolayers

RSC Advances ◽

10.1039/c7ra11040e ◽

2017 ◽

Vol 7 (83) ◽

pp. 52747-52754 ◽

Cited By ~ 4

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.

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

RSC Advances ◽

10.1039/c5ra00788g ◽

2015 ◽

Vol 5 (31) ◽

pp. 24306-24312 ◽

Cited By ~ 23

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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