Magnetic exchange interactions and antiferromagnetism ofATcO3(A=Ca, Sr, Ba) studied from first principles

2012 ◽  
Vol 85 (13) ◽  
Author(s):  
V. S. Borisov ◽  
I. V. Maznichenko ◽  
D. Böttcher ◽  
S. Ostanin ◽  
A. Ernst ◽  
...  
Keyword(s):  
First Principles ◽  
Exchange Interactions ◽  
Magnetic Exchange

scholarly journals Magnetic exchange interactions in yttrium iron garnet: A fully relativistic first-principles investigation

2021 ◽  
Vol 104 (17) ◽  
Author(s):  
O. I. Gorbatov ◽  
G. Johansson ◽  
A. Jakobsson ◽  
S. Mankovsky ◽  
H. Ebert ◽  
...  
Keyword(s):  
First Principles ◽  
Yttrium Iron Garnet ◽  
Exchange Interactions ◽  
Yttrium Iron ◽  
Magnetic Exchange ◽  
Iron Garnet

Magnetic exchange interactions in B-, Si-, and As-doped Fe2P from first-principles theory

2012 ◽  
Vol 85 (22) ◽  
Author(s):  
E. K. Delczeg-Czirjak ◽  
Z. Gercsi ◽  
L. Bergqvist ◽  
O. Eriksson ◽  
L. Szunyogh ◽  
...  
Keyword(s):  
First Principles ◽  
Exchange Interactions ◽  
Magnetic Exchange

Erratum: Magnetic exchange interactions in B-, Si-, and As-doped Fe2P from first-principles theory [Phys. Rev. B85, 224435 (2012)]

2013 ◽  
Vol 88 (17) ◽  
Author(s):  
E. K. Delczeg-Czirjak ◽  
Z. Gercsi ◽  
L. Bergqvist ◽  
O. Eriksson ◽  
L. Szunyogh ◽  
...  
Keyword(s):  
First Principles ◽  
Exchange Interactions ◽  
Magnetic Exchange

Canted antiferromagnet superimposed on a buckled kagomé network in RbMn4(PO4)3

2018 ◽  
Vol 74 (5) ◽  
pp. 641-649 ◽  
Author(s):  
Olga Yakubovich ◽  
Galina Kiriukhina ◽  
Larisa Shvanskaya ◽  
Olga Maximova ◽  
Anatoliy Volkov ◽  
...  
Keyword(s):  
Crystal Structure ◽  
First Principles ◽  
Ionic Radius ◽  
Spontaneous Magnetization ◽  
Exchange Interactions ◽  
Size Factor ◽  
First Principles Calculations ◽  
Hydrothermal Conditions ◽  
Magnetic Exchange ◽  
Ordered State

Rubidium tetramanganese tris(phosphate), RbMn4(PO4)3, has been synthesized as single crystals under hydrothermal conditions. The crystal structure was refined in the space groupPnnm(D2h12). It is argued that the size factorRM/RA,i.e.the ratio of theA+ionic radius to theM2+ionic radius, within the morphotropic seriesAM4(TO4)3corresponds to a specific type of crystal structure. At low temperatures, the antiferromagnet superimposed on a buckled kagomé network in RbMn4(PO4)3experiences a transition into a long-range ordered state with finite spontaneous magnetization. First principles calculations provide the dominant magnetic exchange interactions both within and between the kagomé layers. The analysis of these interactions allows us to suggest a model of alternating ferromagnetic and antiferromagnetic arrangements within chains of Mn3 atoms.

First Principles Calculations of Magnetic Exchange Parameters of Fe-Mn-Al Heusler Alloys

2014 ◽  
Vol 215 ◽  
pp. 131-136 ◽  
Author(s):  
M.A. Zagrebin ◽  
Vasiliy D. Buchelnikov ◽  
V.V. Sokolovskiy ◽  
I.A. Taranenko ◽  
S.I. Saunina
Keyword(s):  
First Principles ◽  
Heusler Alloys ◽  
Exchange Interactions ◽  
Nearest Neighbors ◽  
The Other ◽  
Cubic Phase ◽  
Ferromagnetic Coupling ◽  
First Principles Calculations ◽  
Magnetic Exchange ◽  
Exchange Parameters

The composition dependences of magnetic exchange couplings for the cubic phase of Fe2+xMn1-xAl Heusler alloys, where 0.0 < x < 1.0 are obtained with the help of first principles calculations. Our simulations have shown that the Fe-Fe nearest neighbors present a strong ferromagnetic coupling. Moreover, these exchange interactions are larger than the other ones.

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