Theoretical study of enhanced ferromagnetism and tunable magnetic anisotropy of monolayer CrI3 by surface adsorption

2020 ◽  
Vol 384 (29) ◽  
pp. 126754
Author(s):  
Qin-Fang Xu ◽  
Wen-Qiang Xie ◽  
Zhi-Wei Lu ◽  
Yu-Jun Zhao
Keyword(s):  
Magnetic Anisotropy ◽  
Theoretical Study ◽  
Surface Adsorption

scholarly journals Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe3)2}2L]—experiment and theory

2019 ◽  
Vol 48 (41) ◽  
pp. 15699-15712 ◽  
Author(s):  
Tilmann Bodenstein ◽  
Andreas Eichhöfer
Keyword(s):  
Magnetic Properties ◽  
Magnetic Anisotropy ◽  
Theoretical Study ◽  
Neutral Ligand ◽  
Amido Complexes ◽  
Electronic And Magnetic Properties

The paper presents a combined experimental and theoretical study of the influence of the type of neutral ligand L on the electronic and magnetic properties of trigonal planar iron(ii) bis(trimethylsilyl)amido complexes [Fe(N(SiMe3)2L].

Disorder, exchange and magnetic anisotropy in the room-temperature molecular magnet V[TCNE]x – A theoretical study

2014 ◽  
Vol 91 ◽  
pp. 320-328 ◽  
Author(s):  
Fanica Cimpoesu ◽  
Bogdan Frecus ◽  
Corneliu I. Oprea ◽  
Petre Panait ◽  
Mihai A. Gîrţu
Keyword(s):  
Magnetic Anisotropy ◽  
Room Temperature ◽  
Theoretical Study ◽  
Molecular Magnet

scholarly journals Theoretical Study of Hydrogen on LaFeO3 (010) Surface Adsorption and Subsurface Diffusion

Materials ◽  
2018 ◽  
Vol 11 (12) ◽  
pp. 2347
Author(s):  
Changchang Pan ◽  
Yuhong Chen ◽  
Meiling Zhang ◽  
Lihua Yuan ◽  
Cairong Zhang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Nearest Neighbor ◽  
Theoretical Study ◽  
Rotational Diffusion ◽  
Transition States ◽  
Surface Adsorption ◽  
Diffusion Path ◽  
Layer By Layer ◽  
Functional Theory

Based on density functional theory, this paper studies the adsorption and the subsurface occupation by H on LaFeO3 (010) surface and their corresponding transition states. As shown from the results, the best storage positions of hydrogen are on the O top position of the LaFeO3 (010) surface and the interstice near the oxygen of the subsurface. In addition, the position of surface Fe atom can also store hydrogen, but H atom prefers to adsorb on O atom first. Whether the H atom is adsorbed on O or Fe atom, it is easy diffuse to the nearby more stable O atom. However, the diffusion between the Fe atoms is difficult to occur. The main diffusion path of the H atom from the surface to the subsurface is the process of inward layer by layer around the O atom. With the fracture of the old H–O bond and the formation of the new H–O bond, the H is around O atom to constantly repeat the process of a hopping-rotational diffusion. H diffuses through the nearest neighbor position, which is more favorable than the direct diffusion.

Theoretical Study of the Magnetic Anisotropy of Ni Films on Cu(001)

1997 ◽  
Vol 475 ◽  
Author(s):  
M. Freyss ◽  
R. Lorenz ◽  
H. Dreysse ◽  
J. Hafner
Keyword(s):  
Magnetic Anisotropy ◽  
Theoretical Study ◽  
Magnetic Moments ◽  
Tight Binding ◽  
Real Space ◽  
Spin Orbit Coupling ◽  
Magnetization Direction ◽  
Out Of Plane ◽  
Lmto Method ◽  
The Stability

ABSTRACTThe anisotropy properties of Ni films on Cu(001) are quite unusual compared to other systems: The magnetization direction of Ni is in-plane for a coverage smaller than a critical thickness of 7 monolayers and out-of-plane for a coverage larger than 7 monolayers. As a first step in the study of this unusual behaviour, we report results of ab-initio calculations of the magnetic order of Ni films on a Cu(001) substrate. The magnetic moments are computed by means of the real-space Tight-Binding LMTO method allowing non-collinear magnetic moments and including spin-orbit coupling to account for magnetic anisotropy effects. As the number of Ni layers is increased, we discuss the stability of the system with a magnetization in-plane or out-of-plane.

scholarly journals Theoretical Study of Magnetic Anisotropy in Co/Ni Multi-Layers on W(110)

2013 ◽  
Vol 56 (4) ◽  
pp. 139-141 ◽  
Author(s):  
Kazuki KOJIMA ◽  
Wilson Agerico DI^|^Ntilde;O ◽  
Masahiko SUZUKI ◽  
Tsuneo YASUE ◽  
Kazue KUDO ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
Theoretical Study

scholarly journals On the theory of magnetic hyperthermia: clusterization of nanoparticles

2020 ◽  
Vol 378 (2171) ◽  
pp. 20190251 ◽  
Author(s):  
Ali F. Abu-Bakr ◽  
Andrey Yu. Zubarev
Keyword(s):  
Mathematical Modelling ◽  
Magnetic Anisotropy ◽  
Heat Production ◽  
Theoretical Study ◽  
Magnetic Hyperthermia ◽  
Strong Anisotropy ◽  
Theme Issue ◽  
Weak Anisotropy ◽  
Host Medium ◽  
Ferromagnetic Particles

Experiments show that clusters consisting of nano-sized ferromagnetic particles strongly affect the intensity of heat production during magnetic hyperthermia. In this paper, a theoretical study and mathematical modelling of the heat production by clusters of single-domain ferromagnetic particles, immobilized in a host medium, are presented. Two situations of strong and weak magnetic anisotropy of the particles are considered. Our results show that, in the case of strong anisotropy, the clusterization weakens the thermal effect, whereas in the case of weak anisotropy it enhances it. This article is part of the theme issue ‘Patterns in soft and biological matters'.

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