Magnetic Properties of Quasicrystals: Effects of Disorder on Fe Magnetic Moment Formation

The optimized geometries, stability, and magnetic properties of cationic clusters Si7+, Si6Mn+, and Si5Mn2+ have been determined by the method of density functional theory using the B3P86/6-311+G(d) functional/basis set. Their electronic configurations have been analyzed to understand the influence of substituting Si atoms by Mn atoms on the structural and magnetic aspects of Si7+. It is shown that the manganese dopant does not alter the structure of the silicon host but significantly changes its stability and magnetism. In particular, while the magnetic moment of Si7+ is 1 mB, Si5Mn2+ exhibits a strong magnetic moment of 9 mB and that of Si6Mn+ takes a relatively high value of 4 mB. Among studied clusters, the pentagonal bipyramid Si5Mn2+ is assigned as the most stable one.

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Ab initio calculation of magnetic properties of p-block element doped ZnO

RSC Advances ◽

10.1039/c4ra09463h ◽

2014 ◽

Vol 4 (85) ◽

pp. 45598-45602 ◽

Cited By ~ 17

Author(s):

Palash Nath ◽

Anirban Chakraborti ◽

D. Sanyal

Keyword(s):

Magnetic Properties ◽

Ab Initio ◽

Magnetic Moment ◽

Ab Initio Calculation ◽

Effective Magnetic Moment ◽

Block Element ◽

System P ◽

Doped Zno

Effective magnetic moment for Zn54O53X (X = B, C, N, F, Al, Si, P, Cl, Ga, Ge, As) system.

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Magnetic properties of the non-stoichiometric TbCo2Nix alloys

EPJ Web of Conferences ◽

10.1051/epjconf/201818504021 ◽

2018 ◽

Vol 185 ◽

pp. 04021

Author(s):

Alexander Inishev ◽

Evgeny Gerasimov ◽

Nikolay Mushnikov ◽

Pavel Terentev ◽

Vasily Gaviko

Keyword(s):

Magnetic Properties ◽

Curie Temperature ◽

Concentration Dependence ◽

Magnetic Moment ◽

Magnetic Entropy Change ◽

Entropy Change ◽

Magnetic Entropy ◽

Thermodynamic Relation ◽

Temperature Dependences

The magnetic and magnetothermal properties of the non-stoichiometric TbCo2Nix (0 ≤ x ≤ 0.2) alloys were studied. It was found that the concentration dependence of the Curie temperature and magnetic moment of the 3d-sublattice have a maximum at x = 0.025. The obtained experimental magnetic properties of the TbCo2Nix alloys were discussed under assumption that the Co magnetic moment in the compounds changes with increasing x. The magnetic entropy change was determined using the temperature dependences of the magnetization and Maxwell’s thermodynamic relation. The obtained results for TbCo2Nix were compared with those for the ErCo2Mnx alloys.

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Stability and local magnetic moment of bilayer graphene by intercalation: first principles study

RSC Advances ◽

10.1039/c8ra03343a ◽

2018 ◽

Vol 8 (35) ◽

pp. 19732-19738 ◽

Cited By ~ 4

Author(s):

Jinsen Han ◽

Dongdong Kang ◽

Jiayu Dai

Keyword(s):

Magnetic Properties ◽

Magnetic Moment ◽

First Principles ◽

Local Magnetic Moment ◽

Bilayer Graphene ◽

Intercalation Compounds ◽

First Principles Study ◽

Magnetic Elements

The migration and magnetic properties of the bilayer graphene with intercalation compounds (BGICs) with magnetic elements are theoretically investigated based on first principles study.

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Characterizing Complex Mineral Structures in Thin Section of Geological Sample with a Scanning Hall Effect Microscope

10.20944/preprints201903.0158.v1 ◽

2019 ◽

Author(s):

Jefferson F. D. F. Araujo ◽

Andre L. A. dos Reis ◽

Vanderlei C. Oliveia ◽

Amanda F. Santos ◽

Cleanio Luz-Lima ◽

...

Keyword(s):

Magnetic Properties ◽

Magnetic Moment ◽

Alternative Model ◽

Hall Sensor ◽

Geological Sample ◽

Geological Samples ◽

Scanning Microscope ◽

Background Signal ◽

Thin Sections ◽

System A

We improved a magnetic scanning microscope for measuring the magnetic properties of minerals in thin sections of geological samples at submillimeter scales. The microscope is comprised of a 200 µm diameter Hall sensor that is 142 µm from the sample; an electromagnet capable of applying to the sample up to 500 mT dc magnetic fields over a 40 mm diameter region; a second Hall sensor arranged in a gradiometric configuration to cancel the background signal applied by the electromagnet and reduce overall noise in the system; a custom-designed electronics to bias the sensors and provide adjustment for background signal cancelation; and a scanning XY stage with micrometer resolution. Our system achieves a spatial resolution of  220 µm with noise at 6.0 Hz of »300 nTrms/(Hz)1/2 in an unshielded environment. The magnetic moment sensitivity is 1.3 × 10−11 Am2.1/2 We successfully measured the representative magnetization of a geological sample using an alternative model that takes into account the sample geometry and identified different micrometric characteristics in the sample slice.

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Crystal Structure and Magnetic Properties of (2,2'-Dipyridyl)-(2-acetylphenolato)copper(II) Perchlorate

Zeitschrift für Naturforschung B ◽

10.1515/znb-2002-1009 ◽

2002 ◽

Vol 57 (10) ◽

pp. 1129-1132 ◽

Cited By ~ 3

Author(s):

A. Elmali ◽

Y. Elerman ◽

I. Svoboda

Keyword(s):

Crystal Structure ◽

Magnetic Properties ◽

Magnetic Susceptibility ◽

Magnetic Moment ◽

Basal Plane ◽

Effective Magnetic Moment ◽

Mixed Ligand ◽

Magnetic Susceptibility Data ◽

Susceptibility Data ◽

Dimeric Unit

The mixed-ligand dinuclear complex (2,2'-dipyridyl)-(2-acetylphenolato)copper(II) perchlorate was synthesized and its crystal structures determined. The structure consists of a dimeric unit involving a planar Cu2O2 group. The coordination sphere of the Cu atom can be described as an alongated octahedron where the basal plane is formed by the two N atoms of the 2,2'-dipyridyl molecule and the two O atoms of the acetophenon anion. Two apical Cu - O contacts complete the 4+2 coordination of the Cu atoms. They correspond to one of the O atoms of the perchlorate anion and to the O atom of the second unit. Magnetic susceptibility data obey the Curie-Weiss law with θ = -8.1(2) K. The decreasing of the effective magnetic moment from 1.94(8) μB at 300 K to 1.86(8) μB at 70 K and the negative Weiss constant indicate weak antiferromagnetic interactions between the two copper atoms in the dimeric units.

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Tunable electronic structure and magnetic moment in C2N nanoribbons with different edge functionalization atoms

Physical Chemistry Chemical Physics ◽

10.1039/c7cp01359k ◽

2017 ◽

Vol 19 (23) ◽

pp. 15021-15029 ◽

Cited By ~ 7

Author(s):

Yusheng Wang ◽

Nahong Song ◽

Min Jia ◽

Dapeng Yang ◽

Chikowore Panashe ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Density Functional ◽

First Principles Calculations ◽

Functional Theory ◽

Electronic And Magnetic Properties

First principles calculations based on density functional theory were carried out to study the electronic and magnetic properties of C2N nanoribbons (C2NNRs).

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Width-dependent structural stability and magnetic properties of monolayer zigzag MoS2 nanoribbons

Modern Physics Letters B ◽

10.1142/s0217984917500178 ◽

2017 ◽

Vol 31 (03) ◽

pp. 1750017 ◽

Cited By ~ 7

Author(s):

Yan-Ni Wen ◽

Peng-Fei Gao ◽

Xi Chen ◽

Ming-Gang Xia ◽

Yang Zhang ◽

...

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

Structural Stability ◽

Magnetic Moment ◽

First Principles ◽

Density Functional ◽

Electronic States ◽

Two Dimensional ◽

Functional Theory ◽

Proportional Relationship

First-principles study based on density functional theory has been employed to investigate width-dependent structural stability and magnetic properties of monolayer zigzag MoS2 nanoribbons (ZZ-MoS2 NRs). The width N = 4–6 (the numbers of zigzag Mo–S chains along the ribbon length) are considered. The results show that all studied ZZ-MoS2 NRs are less stable than two-dimensional MoS2 monolayer, exhibiting that a broader width ribbon behaves better structural stability and an inversely proportional relationship between the structural stability (or the ribbon with) and boundary S–Mo interaction. Electronic states imply that all ZZ-MoS2 NRs exhibit magnetic properties, regardless of their widths. Total magnetic moment increases with the increasing width N, which is mainly ascribed to the decreasing S–Mo interaction of the two zigzag edges. In order to confirm this reason, a uniaxial tension strain is applied to ZZ-MoS2 NRs. It has been found that, with the increasing tension strain, the bond length of boundary S–Mo increases, at the same time, the magnetic moment increases also. Our results suggest the rational applications of ZZ-MoS2 NRs in nanoelectronics and spintronics.

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