Study of structural, optoelectronic and magnetic properties of Half-Heusler compounds QEuPa (Q= Ba, be, Mg, Sr) using first-principles method

2021 ◽  
pp. 122612
Author(s):  
Muhammad Abubakr ◽  
Kisa Fatima ◽  
Zeesham Abbas ◽  
Izabela Gorczyca ◽  
Muhammad Irfan ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Heusler Compounds ◽  
First Principles Method

The Electronic Structures and Magnetic Properties of Co(endi)2(N3)2

2011 ◽  
Vol 217-218 ◽  
pp. 1652-1657
Author(s):  
Zhong Long Wang ◽  
Hui Jin Xu ◽  
Kai Lun Yao
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Electronic Structures ◽  
Magnetic Coupling ◽  
Ferromagnetic Interaction ◽  
Azide Ligand ◽  
Weak Interlayer ◽  
Spin Delocalization ◽  
Magnetic Couplings ◽  
First Principles Method

The electronic structures and magnetic properties of the compound Co(endi)2(N3)2 are studied by means of the first-principles method. According to the calculations, there is ferromagnetic interaction in the compound, and the magnetic coupling comes from the spin delocalization effect from Co2+ to the azide ligand. It is found that there is strong intralayer and weak interlayer magnetic couplings in the compound. It also reveals semi-metallically magnetic properties.

Origin of the half-metallic band-gap in newly designed quaternary Heusler compounds ZrVTiZ (Z = Al, Ga)

RSC Advances ◽  
2016 ◽  
Vol 6 (62) ◽  
pp. 57041-57047 ◽  
Author(s):  
Xiaotian Wang ◽  
Zhenxiang Cheng ◽  
Jianli Wang ◽  
Liying Wang ◽  
Zheyin Yu ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Band Gap ◽  
First Principles ◽  
Electronic Structures ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Work First

In this work, first-principles calculations have been used to investigate the electronic structures, magnetic properties, and half-metallic nature of the newly designed quaternary Heusler compounds ZrVTiAl and ZrVTiGa.

scholarly journals Half-metallicity of the bulk and (001) surface of NbFeCrAl and NbFeVGe Heusler compounds: a first-principles prediction

RSC Advances ◽  
2017 ◽  
Vol 7 (50) ◽  
pp. 31707-31713 ◽  
Author(s):  
Y. Li ◽  
G. D. Liu ◽  
X. T. Wang ◽  
E. K. Liu ◽  
X. K. Xi ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
First Principles ◽  
Density Functional ◽  
Heusler Compounds ◽  
First Principles Calculations ◽  
Half Metallicity ◽  
Functional Theory ◽  
Electronic And Magnetic Properties

Using first-principles calculations based on density-functional theory, the structural, electronic and magnetic properties in the bulk and (001) surfaces of quaternary Heusler compounds NbFeCrAl and NbFeVGe are investigated.

First-principles investigation of martensitic transformation and magnetic properties of Ni2XAl (X=Cr, Fe, Co) Heusler compounds

2018 ◽  
Vol 92 ◽  
pp. 15-19 ◽  
Author(s):  
Zhiqin Wen ◽  
Hua Hou ◽  
Jinzhong Tian ◽  
Yuhong Zhao ◽  
Huijun Li ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Martensitic Transformation ◽  
First Principles ◽  
Heusler Compounds

Investigation of structural and magnetic properties of Heusler Fe2+x Mn1−x Al alloys by first principles method

2014 ◽  
Vol 11 (5-6) ◽  
pp. 979-983 ◽  
Author(s):  
V. D. Buchelnikov ◽  
M. A. Zagrebin ◽  
V. V. Sokolovskiy ◽  
I. A. Taranenko ◽  
A. T. Zayak
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Al Alloys ◽  
Structural And Magnetic Properties ◽  
First Principles Method
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