scholarly journals Pressure dependent half-metallic ferromagnetism in inverse Heusler alloy Fe2CoAl: a DFT+U calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (73) ◽  
pp. 44633-44640
Author(s):  
D. P. Rai ◽  
Lalrinkima ◽  
Lalhriatzuala ◽  
L. A. Fomin ◽  
I. V. Malikov ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Curie Temperature ◽  
First Principles ◽  
Heusler Alloy ◽  
Computational Method ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Full Heusler ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

We report the electronic and magnetic properties along with the Curie temperature (TC) of the inverse full Heusler alloy (HA) Fe2CoAl obtained using the first-principles computational method.

First-Principles Studies of Structural, Electronic and Magnetic Properties of the CrS, CrSe and CrTe Compounds

SPIN ◽  
2018 ◽  
Vol 08 (04) ◽  
pp. 1850019 ◽  
Author(s):  
A. Belkadi ◽  
K. O. Obodo ◽  
Y. Zaoui ◽  
H. Moulkhalwa ◽  
L. Beldi ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
First Principles ◽  
Experimental Studies ◽  
First Principles Calculation ◽  
Energy Structure ◽  
Generalized Gradient ◽  
Half Metallic ◽  
Electronic And Magnetic Properties ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Using first-principles calculation within the generalized gradient approximation (GGA) and [Formula: see text] (Hubbard Coulomb onsite correction), we investigated the structural, electronic and magnetic properties of CrS, CrSe and CrTe compounds in different phases. We found that the NaCl phase is the lowest energy structure in comparison to the other investigated phases within the [Formula: see text] approach for CrS, CrSe and CrTe compounds. The CrX compounds investigated in the NaCl phase are all half-metallic ferromagnets with a net magnetic moment of 4.0[Formula: see text][Formula: see text] within the [Formula: see text] approximation. From the density of states profile and charge density distribution, the observed half-metallic ferromagnetism in the CrS, CrSe and CrTe compounds is due to the spin polarized 3[Formula: see text] orbitals of the Cr atoms. The observed stable half-metallic ferromagnetism in the NaCl phase of the CrS, CrSe and CrTe compounds should motivate further experimental studies on the possible application of these compounds as spintronic materials.

Half-metallic ferromagnetism of the full-Heusler compound : A first-principles study

2010 ◽  
Vol 150 (45-46) ◽  
pp. 2239-2242 ◽  
Author(s):  
Zhongyu Yao ◽  
Shaohua Gong ◽  
Jun Fu ◽  
Yue-Sheng Zhang ◽  
Kai-Lun Yao
Keyword(s):  
First Principles ◽  
Compound A ◽  
Half Metallic ◽  
Heusler Compound ◽  
First Principles Study ◽  
Full Heusler ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism
Sign in / Sign up

Export Citation Format

Share Document