Investigation of the half-metallicity, magnetism and spin transport properties of double half-Heusler alloys Mn2CoCrZ2 (Z=P, As)

2021 ◽  
Author(s):  
Cui Zhou ◽  
Ding Haonan ◽  
Yu Feng
Keyword(s):  
Green’S Function ◽  
Transport Properties ◽  
Density Function ◽  
Green's Function ◽  
Spin Transport ◽  
Function Theory ◽  
Heusler Alloys ◽  
Density Function Theory ◽  
Half Metallicity ◽  
Nonequilibrium Green's Function

A new subfamily of Heusler alloys, i.e. double half-Heusler alloys Mn2CoCrZ2 (Z=P, As), are investigated by employing the density function theory combined with the nonequilibrium Green’s function. The calculations on...

Nonequilibrium-Green’s-function theory of transport in interacting quantum dots

1994 ◽  
Vol 50 (7) ◽  
pp. 4482-4496 ◽  
Author(s):  
Lindor E. Henrickson ◽  
Arnold J. Glick ◽  
Garnett W. Bryant ◽  
David F. Barbe
Keyword(s):  
Quantum Dots ◽  
Green’S Function ◽  
Green's Function ◽  
Function Theory ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function

Controlling the electronic transport properties of the tetrapyrimidinyl molecule with atom modified sulfur bridge

RSC Advances ◽  
2015 ◽  
Vol 5 (14) ◽  
pp. 10675-10679 ◽  
Author(s):  
Jie Ma ◽  
Chuan-Lu Yang ◽  
Mei-Shan Wang ◽  
Xiao-Guang Ma
Keyword(s):  
Density Functional Theory ◽  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Electronic Transport ◽  
Density Functional ◽  
Functional Theory ◽  
Electronic Transport Properties ◽  
Nonequilibrium Green's Function ◽  
Probe System

The effect of the modified sulfur bridge on the I–V characteristics of a two-probe system of tetrapyrimidinyl molecules and Au electrodes is explored based on density functional theory with nonequilibrium Green's function.

Transport properties of atomic-size aluminum chains: first principles and nonequilibrium Green's function studies

RSC Advances ◽  
2015 ◽  
Vol 5 (111) ◽  
pp. 91288-91294 ◽  
Author(s):  
F. Sanchez-Ochoa ◽  
Gregorio H. Cocoletzi ◽  
G. Canto ◽  
Noboru Takeuchi
Keyword(s):  
Green’S Function ◽  
Transport Properties ◽  
Green's Function ◽  
Atomic Structure ◽  
First Principles ◽  
Atomic Scale ◽  
First Principles Calculations ◽  
Atomic Size ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function

First principles calculations are performed to investigate atomic structure and nonequilibrium Green's function for Al atomic scale chains transport properties.

Improving the bias range for spin-filtering by selecting proper electrode materials

RSC Advances ◽  
2015 ◽  
Vol 5 (21) ◽  
pp. 15812-15817 ◽  
Author(s):  
X. Q. Deng ◽  
Z. H. Zhang ◽  
C. H. Yang
Keyword(s):  
Density Function ◽  
Function Method ◽  
Spin Transport ◽  
Electrode Materials ◽  
Function Theory ◽  
Density Function Theory ◽  
Carbon Chains ◽  
Bias Range ◽  
Non Equilibrium Green’S Function ◽  
Spin Filtering

Using the non-equilibrium Green’s function method combined with density function theory, we investigate the spin transport for carbon chains connected to electrodes of different materials.

scholarly journals Ising ferromagnetism and robust half-metallicity in two-dimensional honeycomb-kagome Cr2O3 layer

2020 ◽  
Vol 4 (1) ◽  
Author(s):  
Arqum Hashmi ◽  
Kenta Nakanishi ◽  
Muhammad Umar Farooq ◽  
Tomoya Ono
Keyword(s):  
Transition Metal ◽  
Green’S Function ◽  
Green's Function ◽  
Spin Exchange ◽  
Transition Metal Dichalcogenide ◽  
Two Dimensional ◽  
Half Metallicity ◽  
Metallic Behavior ◽  
Nonequilibrium Green's Function ◽  
Nonequilibrium Green’S Function

Abstract In contrast to the current research on two-dimensional (2D) materials, which is mainly focused on graphene and transition metal dichalcogenide-like structures, studies on 2D transition metal oxides are rare. By using ab initio calculations along with Monte Carlo simulations and nonequilibrium Green’s function method, we demonstrate that the transition metal oxide monolayer (ML) of Cr2O3 is an ideal candidate for next-generation spintronics applications. 2D Cr2O3 has honeycomb-kagome lattice, where the Dirac and strongly correlated fermions coexist around the Fermi level. Furthermore, the spin exchange coupling constant shows strong ferromagnetic (FM) interaction between Cr atoms. Cr2O3 ML has a robust half-metallic behavior with a large spin gap of ~3.9 eV and adequate Curie temperature. Interestingly, an intrinsic Ising FM characteristic is observed with a giant perpendicular magnetocrystalline anisotropy energy of ~0.9 meV. Most remarkably, nonequilibrium Green’s function calculations reveal that the Cr2O3 ML exhibits an excellent spin filtering effect.

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