Magnetic anisotropy in density-functional theory

1988 ◽  
Vol 38 (12) ◽  
pp. 8022-8029 ◽  
Author(s):  
H. J. F. Jansen
Keyword(s):  
Density Functional Theory ◽  
Magnetic Anisotropy ◽  
Density Functional ◽  
Functional Theory

scholarly journals Large Uniaxial Magnetic Anisotropy of Hexagonal Fe-Hf-Sb Alloys

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 430
Author(s):  
Lukas Kyvala ◽  
Maxim Tchaplianka ◽  
Alexander Shick ◽  
Sergii Khmelevskyi ◽  
Dominik Legut
Keyword(s):  
Density Functional Theory ◽  
Magnetic Anisotropy ◽  
Permanent Magnet ◽  
Chemical Control ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Magnetization Direction ◽  
Functional Theory ◽  
Uniaxial Magnetic Anisotropy ◽  
The Density Functional Theory

We theoretically investigate the electronic and magnetic structure of Fe 2 Hf. The density functional theory calculations are shown to produce the negative, easy-plane, magnetic anisotropy in the hexagonal Fe 2 Hf. Antimony substitution suppresses the planar magnetization direction and favors the uniaxial magnetic anisotropy, in agreement with experimental observations. Our study suggests the possibility of the chemical control of the magnetic anisotropy in Fe 2 Hf by Sb substitution, and illustrates the potential of (Fe,Sb) 2 + x Hf 1 − x Laves phase alloys for the permanent magnet applications.

An atomically thin layer of Ru/MoS2heterostructure: structural, electronic, and magnetic properties

2016 ◽  
Vol 18 (47) ◽  
pp. 32528-32533 ◽  
Author(s):  
Chenghuan Jiang ◽  
Rongqing Zhou ◽  
Zhaohui Peng ◽  
Jinfu Zhu ◽  
Qian Chen
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Magnetic Anisotropy ◽  
Thin Layer ◽  
Density Functional ◽  
Density Functional Theory Calculations ◽  
Ferromagnetic State ◽  
Electrical Field ◽  
Functional Theory ◽  
Electronic And Magnetic Properties

A stable 2D Ru/MoS2layer with magnetic anisotropy and an electrical field tuned ferromagnetic state is proposed based on density functional theory calculations.

scholarly journals Drastic change of magnetic anisotropy in Fe3GeTe2 and Fe4GeTe2 monolayers under electric field studied by density functional theory

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
Dongwook Kim ◽  
Changhoon Lee ◽  
Bo Gyu Jang ◽  
Kyoo Kim ◽  
Ji Hoon Shim
Keyword(s):  
Density Functional Theory ◽  
Electric Field ◽  
Magnetic Anisotropy ◽  
Density Functional ◽  
Density Functional Theory Calculation ◽  
Three Dimensional ◽  
Magnetic Anisotropy Energy ◽  
Functional Theory ◽  
3D Network ◽  
Out Of Plane

AbstractMagnetic anisotropy energy (MAE) is one of the most important properties in two-dimensional magnetism since the magnetization in two dimension is vulnerable to the spin rotational fluctuations. Using density functional theory calculation, we show that perpendicular electric field dramatically enhances the in-plane and out-of-plane magnetic anisotropies in Fe3GeTe2 and Fe4GeTe2 monolayers, respectively, allowing the change of easy axis in both systems. The changes of the MAE under the electric field are understood as the result of charge redistribution inside the layer, which is available due to the three-dimensional (3D) network of Fe atoms in the monolayers. As a result, we suggest that due to the unique structure of FenGeTe2 compounds composed by peculiar 3D networks of metal atoms, the MAE can be dramatically changed by the external perpendicular electric field.

Prediction of magnetic anisotropy of 5d transition metal-doped g-C3N4

2014 ◽  
Vol 2 (41) ◽  
pp. 8817-8821 ◽  
Author(s):  
Yun Zhang ◽  
Zhe Wang ◽  
Juexian Cao
Keyword(s):  
Density Functional Theory ◽  
Magnetic Properties ◽  
Transition Metal ◽  
Magnetic Anisotropy ◽  
Density Functional ◽  
Carbon Nitride ◽  
Functional Theory ◽  
Metal Doped

Based on density functional theory, we investigated the magnetic properties of 5d transition metal (TM) atoms at the porous sites of graphene-like carbon nitride (g-C3N4).

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