scholarly journals Half-metallic ferromagnetism with high magnetic moment and high Curie temperature in Co2FeSi

2006 ◽  
Vol 99 (8) ◽  
pp. 08J103 ◽  
Author(s):  
Sabine Wurmehl ◽  
Gerhard H. Fecher ◽  
Vadim Ksenofontov ◽  
Frederick Casper ◽  
Ullrich Stumm ◽  
...  
Keyword(s):  
Curie Temperature ◽  
Magnetic Moment ◽  
High Curie Temperature ◽  
Half Metallic ◽  
High Magnetic Moment ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

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.

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.

scholarly journals Ferromagnetism With High Curie Temperature of Cu Doped LiMgN New Dilute Magnetic Semiconductors

2021 ◽  
Vol 7 ◽  
Author(s):  
Junquan Deng ◽  
Wuqing Yang ◽  
Aiyuan Hu ◽  
Peng Yu ◽  
Yuting Cui ◽  
...  
Keyword(s):  
Curie Temperature ◽  
Density Functional ◽  
Diluted Magnetic Semiconductors ◽  
Magnetic Semiconductors ◽  
Magnetic Moments ◽  
Dilute Magnetic Semiconductors ◽  
Mean Field Approximation ◽  
Half Metallic ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

New diluted magnetic semiconductors represented by Li(Zn,Mn)As with decoupled charge and spin doping have received much attention due to their potential applications for spintronics. However, their low Curie temperature seriously restricts the wide application of these spintronic devices. In this work, the electronic structures, ferromagnetic properties, formation energy, and Curie temperature of Cu doped LiMgN and the corresponding Li deficient system are calculated by using the first principles method based on density functional theory, combined with Heisenberg model in the Mean-Field Approximation. We find that the Cu doped systems have high temperature ferromagnetism, and the highest Curie temperature is up to 573K, much higher than the room temperature. Li(Mg0.875Cu0.125)N is a half metallic ferromagnet and its net magnetic moments are 2.0 μв. When Li is deficient, the half metallic ferromagnetism becomes stronger, the magnetic moments increase to 3.0 μв. The bonding and differential charge density indicate that the half metallic ferromagnetism can be mainly attributed to the strong hybridization between N 2p and doped Cu 3d orbitals. The results show that Cu doped LiMgN is a kind of ideal new dilute magnetic semiconductor that will benefit potential spintronics applications.

AB INITIO ELECTRONIC STRUCTURE CALCULATIONS OF HALF-METALLIC FERROMAGNETISM IN CALCIUM CHALCOGENIDES DOPED WITH B, C AND N

2011 ◽  
Vol 25 (18) ◽  
pp. 1537-1548 ◽  
Author(s):  
M. YOGESWARI ◽  
G. KALAPANA
Keyword(s):  
Ab Initio ◽  
Magnetic Moment ◽  
Local Density ◽  
Magnetic Moments ◽  
Electronic Band ◽  
Half Metallic ◽  
N Doping ◽  
C And N ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

Self-consistent ab initio calculations were carried out to study the structural, electronic and magnetic properties of nine ternary compounds Ca 4 XA 3 ( X = B , C and N ; A = S , Se and Te ). The calculations were performed by using tight-binding linear muffin tin orbital (TB-LMTO) method within the local density approximation (LDA). The calculations reveal that half-metallic ferromagnetism can be obtained for C - and N -doping with the integer magnetic moment of 2.00 μ B and 1.00 μ B per cell. However, B substitution does not induce magnetism in CaS and CaSe systems, but it produces ferromagnetism in CaTe system with magnetic moment of 2.67 μ B per cell. Moreover C - and N -doping enhance the stable ferromagnetic state in calcium chalcogenide systems. Spin-dependent electronic band structure, total and partial densities of state calculations demonstrate that localized magnetic moments substantially come from impurity atoms. Half-metallic ferromagnetism predominately originates from spin-polarization of electrons in 2p orbital states of C and N atoms. In addition, equilibrium lattice constant, bulk modulus, atomic local magnetic moments, half-metallic gap and robustness of half-metallicity have been calculated.

scholarly journals Half-Metallic Ferromagnetism in Chalcopyrite (AlGaMn)P2Alloys

2015 ◽  
Vol 2015 ◽  
pp. 1-7
Author(s):  
Byung-Sub Kang ◽  
Kwang-Pyo Chae ◽  
Haeng-Ki Lee
Keyword(s):  
Magnetic Properties ◽  
Strong Interaction ◽  
Magnetic Moment ◽  
First Principles ◽  
First Principles Calculations ◽  
Half Metallic ◽  
Spin Polarized ◽  
Mn Doped ◽  
Metallic Ferromagnetism ◽  
Half Metallic Ferromagnetism

We studied the electronic and magnetic properties of (Al1−yMny)GaP2(Ga-rich) and Al(Ga1−yMny)P2(Al-rich) withy = 0.03125, 0.0625, 0.09375, and 0.125 by using the first-principles calculations. The ferromagnetic Mn-doped AlGaP2chalcopyrite is the most energetically favorable one. The spin polarized Al(GaMn)P2state (Al-rich system) is more stable than spin polarized (AlMn)GaP2state (Ga-rich) with the magnetic moment of 3.8 μB/Mn. The Mn-doped AlGaP2yields strong half-metallic ground states. The states of host Al, Ga, or P atoms at the Fermi level are mainly a P-3pcharacter, which mediates a strong interaction between the Mn-3dand P-3pstates.

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