Half-metallic ferromagnetism in $$\text {Ti}_{2}\text {IrZ}$$Ti2IrZ (Z $$=$$= B, Al, Ga, and In) Heusler alloys: A density functional study

Pramana ◽  
2018 ◽  
Vol 90 (2) ◽  
Author(s):  
K H Sadeghi ◽  
F Ahmadian
Keyword(s):  
Density Functional ◽  
Heusler Alloys ◽  
Functional Study ◽  
Half Metallic ◽  
Density Functional Study ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Half-metallic properties in Co2XSn (X = Ti, V and Cr) full-Heusler compound

2019 ◽  
Vol 34 (02) ◽  
pp. 2050028 ◽  
Author(s):  
H. Abbassa ◽  
A. Labdelli ◽  
S. Meskine ◽  
Y. Benaissa Cherif ◽  
A. Boukortt
Keyword(s):  
Magnetic Moment ◽  
Density Functional ◽  
Heusler Alloys ◽  
Electronic Band ◽  
Half Metallic ◽  
Lattice Constants ◽  
Half Metal ◽  
Wide Range ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

First-principles calculations based on density functional theory (DFT) confirm the half-metallic ferromagnetism in both [Formula: see text] and [Formula: see text], and the nearly half-metallic ferromagnetism in [Formula: see text] Heusler alloys with the [Formula: see text]-type structure [Formula: see text]. The electronic band structures and density of states (DOS) calculations of the [Formula: see text] and [Formula: see text] compounds show that the spin-up electrons are metallic, whereas the spin-down bands are semiconducting with a gap of 0.47 eV and 0.53 eV, respectively, with 0.21 eV and 0.36 eV as a spin-flip gap, respectively. The [Formula: see text] and [Formula: see text] Heusler were half-metal compounds with magnetic moment of [Formula: see text] and [Formula: see text] at the equilibrium lattice constants [Formula: see text] Å and [Formula: see text] Å, respectively, which agrees with the Slater–Pauling rule, and have 100% polarization for a wide range of lattice parameters. The [Formula: see text] is a nearly half-metal (NHF) compound with magnetic moment of [Formula: see text] and 92.9% polarization at the equilibrium lattice constants [Formula: see text] Å and acquire half-metal behavior under the pressure 16.70 GPa.

Half-metallic ferromagnetism prediction in MoS2-based two-dimensional superlattice from first-principles

2018 ◽  
Vol 32 (07) ◽  
pp. 1850098 ◽  
Author(s):  
Yan-Ni Wen ◽  
Peng-Fei Gao ◽  
Ming-Gang Xia ◽  
Sheng-Li Zhang
Keyword(s):  
Structural Stability ◽  
Density Functional ◽  
2D Materials ◽  
Two Dimensional ◽  
Spin Filter ◽  
Half Metallic ◽  
Hexagonal Ring ◽  
Electrical And Magnetic Properties ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Half-metallic ferromagnetism (HMFM) has great potential application in spin filter. However, it is extremely rare, especially in two-dimensional (2D) materials. At present, 2D materials have drawn international interest in spintronic devices. Here, we use ab initio density functional theory (DFT) calculations to study the structural stability and electrical and magnetic properties of the MoS2-based 2D superlattice formed by inserting graphene hexagonal ring in [Formula: see text] MoS2 supercell. Two kinds of structures with hexagonal carbon ring were predicted with structural stability and were shown HMFM. The two structures combine the spin transport capacity of graphene with the magnetism of the defective 2D MoS2. And they have strong covalent bonding between the C and S or Mo atoms near the interface. This work is very useful to help us to design reasonable MoS2-based spin filter.

Half-metallic ferromagnetism in hypothetical semi-Heusler alloys NiVM (M=P, As, Sb, S, Se, and Te)

2004 ◽  
Vol 95 (11) ◽  
pp. 7219-7221 ◽  
Author(s):  
Ming Zhang ◽  
Zhu-Hong Liu ◽  
Hai-Ning Hu ◽  
Guo-Dong Liu ◽  
Yu-Ting Cui ◽  
...  
Keyword(s):  
Heusler Alloys ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

scholarly journals First principle prediction of half-metallic ferromagnetism above room temperature in half-heusler alloys

2010 ◽  
Author(s):  
Van An Dinh ◽  
Kazunori Sato ◽  
Hiroshi Katayama-Yoshida ◽  
Marília Caldas ◽  
Nelson Studart
Keyword(s):  
Room Temperature ◽  
Heusler Alloys ◽  
First Principle ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism
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