scholarly journals Self-consistent mapping: Effect of local environment on formation of magnetic moment in α−FeSi2

2017 ◽  
Vol 95 (5) ◽  
Author(s):  
V. S. Zhandun ◽  
N. G. Zamkova ◽  
S. G. Ovchinnikov ◽  
I. S. Sandalov
Keyword(s):  
Magnetic Moment ◽  
Local Environment ◽  
Self Consistent ◽  
Consistent Mapping

ENHANCEMENT OF Fe MAGNETIC MOMENTS IN FERROMAGNETIC Fe16B2, Fe16C2, AND Fe16N2

1993 ◽  
Vol 07 (01n03) ◽  
pp. 729-732 ◽  
Author(s):  
B.I. MIN
Keyword(s):  
Magnetic Moment ◽  
Density Functional ◽  
Local Density ◽  
Magnetic Moments ◽  
Local Environment ◽  
Electronic Structure Calculations ◽  
Orbital Contribution ◽  
Large Enhancement ◽  
Band Method ◽  
Structure Calculations

In order to investigate electronic and magnetic properties of Fe16X2 (X=B, C, N) ferromagnet, we have performed electronic structure calculations employing the total energy self-consistent local density functional linearized muffin tin orbital (LMTO) band method. Large enhancement of the magnetic moment is observed in FeII and FeIII, which are located farther from X than FeI. This suggests that the local environment plays a very important role in determining Fe magnetic moments in these compounds. Orbital contribution to the magnetic moment in Fe atoms of Fe16N2 is minor, totalof ~0.6 μB in the unit cell. We have obtained the average magnetic moments per Fe atom, 2.30, 2.40, and 2.50 μB, in Fe16B2, Fe16C2, and Fe16N2, respectively.

scholarly journals Электронная структура и обменные взаимодействия соединений RNi-=SUB=-4-=/SUB=-Co (R=Eu,Yb)

2018 ◽  
Vol 60 (9) ◽  
pp. 1641
Author(s):  
Л.Н. Граматеева ◽  
А.В. Лукоянов
Keyword(s):  
Electronic Structure ◽  
Exchange Interaction ◽  
Magnetic Moment ◽  
Theoretical Approach ◽  
Exchange Interactions ◽  
Type A ◽  
Cobalt Ion ◽  
Self Consistent ◽  
Metal Sublattice ◽  
Total Energies

AbstractThe electronic structure and the exchange interactions in EuNi_4Co and YbNi_4Co compounds have been calculated in terms of a theoretical approach with the inclusion of electronic correlations (LSDA + U method); the variants of substitution of cobalt ion for nickel in the 3 d lattice in both types of crystallographic positions 2 c and 3 g are considered. The total energies obtained in self-consistent calculations show that individual cobalt impurities are more preferably arranged in position of the 3 g type. A Co ion in RNi_4Co (R = Eu, Yb) is characterized by a significant magnetic moment, which leads to significant increase in the exchange interaction of Co and Ni ions in the 3 d metal sublattice.

Influence of Surface Magnetism on the Surface Segregation Near TC in NiX Cu1-x Alloys

1983 ◽  
Vol 21 ◽  
Author(s):  
J. Urias ◽  
J.L. Moran-Lopez
Keyword(s):  
Magnetic Moment ◽  
Surface Segregation ◽  
Mean Field ◽  
Local Environment ◽  
Local Magnetic Moment ◽  
Field Approximation ◽  
Mean Field Approximation ◽  
Surface Magnetism ◽  
Surface Magnetization ◽  
The Mean

ABSTRACTThe influence of surface magnetization on the surface segregation in binary alloys with one magnetic component is studied. Based in a model in which the local magnetic moment on the ferromagnetic atoms is determined by the local environment, the internal energy is calculated within the mean field approximation. We applied the model to dilute CuNi alloys and we find that magnetism favors the segregation of Ni, contrary to what it is found in the paramagnetic phase.

INFLUENCE OF LOCAL ENVIRONMENT ON THE MAGNETIC MOMENT IN THE TRANSITION METAL ALLOYS

1993 ◽  
Vol 07 (01n03) ◽  
pp. 958-960
Author(s):  
A. JEZIERSKI
Keyword(s):  
Transition Metal ◽  
Density Of States ◽  
Magnetic Moment ◽  
Short Range ◽  
Local Environment ◽  
Metal Alloys ◽  
Disordered System ◽  
Electronic Density ◽  
Transition Metal Alloys ◽  
Short Range Ordering

We study the dependence of the magnetic moment on the short range ordering in Pt1−cMnc, Pt1−cCrc, Pt1−cCoc andPd1−cCoc alloys. The electronic density of states for the fcc disordered system is calculated by the TB LMTO-CPA method. The magnetic moment is estimated using the Stoner model, We find that the value of the magnetic moment increases with increasing ordering in the system.

Relating structural, magnetic-moment, and hyperfine-field behavior to a local-environment model inFe3−xCoxSi

1979 ◽  
Vol 19 (1) ◽  
pp. 452-464 ◽  
Author(s):  
V. Niculescu ◽  
J. I. Budnick ◽  
W. A. Hines ◽  
K. Raj ◽  
S. Pickart ◽  
...  
Keyword(s):  
Hyperfine Field ◽  
Magnetic Moment ◽  
Local Environment ◽  
Environment Model ◽  
Field Behavior
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