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

Room temperature half metallic ferromagnetism due to Os/Ir(5d) in double perovskites

2022 ◽  
Vol 896 ◽  
pp. 163130
Author(s):  
Qasim Mahmood ◽  
Ghazanfar Nazir ◽  
Sonia Bouzgarrou ◽  
M.S. Rashid ◽  
Eman Algrafy ◽  
...  
Keyword(s):  
Room Temperature ◽  
Double Perovskites ◽  
Half Metallic ◽  
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 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

Prediction for room-temperature half-metallic ferromagnetism in the half-fluorinated single layers of BN and ZnO

2010 ◽  
Vol 97 (12) ◽  
pp. 122503 ◽  
Author(s):  
E. J. Kan ◽  
H. J. Xiang ◽  
F. Wu ◽  
C. Tian ◽  
C. Lee ◽  
...  
Keyword(s):  
Room Temperature ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Half-metallic ferromagnetism induced by TM-TM atom pair co-doping in 2D hexagonal boron nitride monolayer: A first principle study

2021 ◽  
Vol 271 ◽  
pp. 115247
Author(s):  
Debashis Roy ◽  
Md Kamal Hossain ◽  
Syed Mahedi Hasan ◽  
Shamima Khanom ◽  
Md. Abul Hossain ◽  
...  
Keyword(s):  
Boron Nitride ◽  
Hexagonal Boron Nitride ◽  
First Principle ◽  
Atom Pair ◽  
Half Metallic ◽  
Co Doping ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

scholarly journals First-principles study on half-metallic ferromagnetism of half-Heusler alloys VLiBi and CrLiBi

2018 ◽  
Vol 67 (21) ◽  
pp. 217501
Author(s):  
Yao Zhong-Yu ◽  
Sun Li ◽  
Pan Meng-Mei ◽  
Sun Shu-Juan ◽  
Liu Han-Jun
Keyword(s):  
First Principles ◽  
Heusler Alloys ◽  
Half Metallic ◽  
First Principles Study ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism
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