Surface Functionalization Tailored Electronic Structure and Magnetic Properties of Two-Dimensional CrC2 Monolayers

2020 ◽  
Vol 124 (5) ◽  
pp. 3095-3106 ◽  
Author(s):  
Xiaofei Ma ◽  
Wenbo Mi
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Surface Functionalization ◽  
Two Dimensional

Biaxial strain, electric field and interlayer distance-tailored electronic structure and magnetic properties of two-dimensional g-C3N4/Li-adsorbed Cr2Ge2Te6 van der Waals heterostructures

2021 ◽  
Vol 23 (10) ◽  
pp. 6171-6181
Author(s):  
Yaoqi Gao ◽  
Baozeng Zhou ◽  
Xiaocha Wang
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Electric Field ◽  
Van Der Waals ◽  
Interlayer Distance ◽  
Two Dimensional ◽  
Biaxial Strain ◽  
Van Der Waals Heterostructures

It is found that the biaxial strain, electric field and interlayer distance can effectively modulate the electronic structure and magnetic properties of two-dimensional van der Waals heterostructures.

Site-projected electronic structure of two-dimensional Ti3C2MXene: the role of the surface functionalization groups

2016 ◽  
Vol 18 (45) ◽  
pp. 30946-30953 ◽  
Author(s):  
Damien Magne ◽  
Vincent Mauchamp ◽  
Stéphane Célérier ◽  
Patrick Chartier ◽  
Thierry Cabioc'h
Keyword(s):  
Electronic Structure ◽  
Surface Functionalization ◽  
Chemical Bonding ◽  
Surface Groups ◽  
Two Dimensional ◽  
Object Level

The role of the surface groups in chemical bonding in two dimensional Ti3C2is evidenced at the nano-object level.

Giant contribution of the ligand states to the magnetic properties of the Cr2Ge2Te6 monolayer

2019 ◽  
Vol 21 (18) ◽  
pp. 9597-9604 ◽  
Author(s):  
Kangying Wang ◽  
Sergey Nikolaev ◽  
Wei Ren ◽  
Igor Solovyev
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
First Principles ◽  
Molecular Level ◽  
Ferromagnetic Material ◽  
Electronic Structure Calculations ◽  
Two Dimensional ◽  
Structure Calculations

The magnetic properties of Cr2Ge2Te6, an important two-dimensional ferromagnetic material, are investigated at the molecular level by constructing and solving realistic models extracted from first-principles electronic structure calculations.

Electronic structure and magnetic properties of the effective spin Jeff=12 two-dimensional triangular lattice K3Yb(VO4)2

2021 ◽  
Vol 104 (14) ◽  
Author(s):  
U. K. Voma ◽  
S. Bhattacharya ◽  
E. Kermarrec ◽  
J. Alam ◽  
Y. M. Jana ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Triangular Lattice ◽  
Two Dimensional ◽  
Effective Spin

scholarly journals 2D hybrid CrCl2(N2C4H4)2 with tunable ferromagnetic half-metallicity

2021 ◽  
Author(s):  
Wentao Hu ◽  
Ke Yang ◽  
Alessandro Stroppa ◽  
Alessandra Continenza ◽  
Hua Wu
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Density Functional Calculations ◽  
Density Functional ◽  
Two Dimensional ◽  
Half Metallicity ◽  
Spintronic Devices ◽  
Half Metal

Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnetic pictures, we study the electronic structure and magnetic properties...

scholarly journals Tuning Electronic Structure and Magnetic Properties of Flat Stanene by Hydrogenation and Al/P Doping: A First Principle DFT Study

Coatings ◽  
2021 ◽  
Vol 11 (1) ◽  
pp. 47
Author(s):  
Mauludi Ariesto Pamungkas ◽  
Vinsa Kharisma Rofiqo Sari ◽  
Irwansyah ◽  
Setiawan Ade Putra ◽  
Abdurrouf ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Density Functional ◽  
Magnetic Semiconductor ◽  
Ferromagnetic Material ◽  
First Principle ◽  
Two Dimensional ◽  
Hollow Site ◽  
Functional Theory ◽  
Shed Light

A Stanene, is a two-dimensional material composed of tin atoms arranged in a single hexagonal layer, in a manner similar to graphene. First principle studies based on density functional theory were performed to investigate the effects of hydrogenation and Al/P doping on electronic structure and magnetic properties of stanene. Hydrogenation opens the bandgap of stanene and changes it from nonmagnetic to the ferromagnetic material through H 1s states and Sn 5p states hybridization. Al/P atom at hollow site prevent electrons of adjacent Sn atoms to connect so that inducing unpaired electrons. The combination of hydrogenation and Al/P doping increases its magnetization. The sequence based on its magnetic moment from small to large is as follows: pure stanene, Al-doped stanene, P-doped stanene, hydrogenated stanene, Al-doped hydrogenated stanene, and P-doped hydrogenated stanene. The controllable transformation from nonmagnetic metallic to a magnetic semiconductor is a key requirement for materials to be used as spintronic materials. Thus, these results may shed light on designing the stanene-based electronic and spintronics materials.

Sign in / Sign up

Export Citation Format

Share Document