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

RSC Advances ◽  
2014 ◽  
Vol 4 (85) ◽  
pp. 45598-45602 ◽  
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.

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

2002 ◽  
Vol 57 (10) ◽  
pp. 1129-1132 ◽  
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.

Geometric and electronic structure and magnetic properties of Fe–Au nanoalloys: insights from ab initio calculations

2015 ◽  
Vol 17 (42) ◽  
pp. 28177-28185 ◽  
Author(s):  
Sampyo Hong ◽  
Talat S. Rahman
Keyword(s):  
Magnetic Properties ◽  
Electronic Structure ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Magnetic Moment ◽  
Au Nanoparticles

Fe–Au nanoparticles maintain almost a constant magnetic moment of ∼2.8 μB, which is 27% enhancement from the bulk value.

Structure and Magnetic Properties of a Dinuclear Complex with Iron(III) in Octahedral and Pyramidal Coordination

1994 ◽  
Vol 49 (9) ◽  
pp. 1239-1242 ◽  
Author(s):  
Ayhan Elmali ◽  
Yalcin Elerman ◽  
Ingrid Svoboda ◽  
Hartmut Fuess ◽  
Klaus Griesar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Magnetic Susceptibility ◽  
Magnetic Moment ◽  
Effective Magnetic Moment ◽  
Dinuclear Complex ◽  
Monoclinic Space Group ◽  
Temperature Dependent ◽  
Space Group ◽  
Binuclear Unit

[FeL(MeOH)Cl]2 (L = N-(2-hydroxyphenyl)salicylaldimine) was synthesized and its crystal structure determined, [C27H20N 2O5Cl2Fe2], monoclinic, space group P21/c, a = 9.528(1), b = 7.684(1), c = 18.365(2) Å, β = 109.83(1)°, V = 1264.8 Å3, Z = 2. Two identical [FeL(MeOH)Cl] fragments, related by an inversion centre, are combined by the two bridging O atoms, to form a binuclear unit. The iron(III) centers are separated by 3.163(2) Å and weakly antiferromagnetically coupled (J = -8 .0 (1 ) cm-1), which follows from temperature - dependent magnetic susceptibility measurements in the range 4.2 to 288 K. The effective magnetic moment per iron(III) is μeff = 7.4 μB at 288 K

A water-soluble gadolinium metallofullerenol: facile preparation, magnetic properties and magnetic resonance imaging application

2016 ◽  
Vol 45 (21) ◽  
pp. 8696-8699 ◽  
Author(s):  
Jie Li ◽  
Taishan Wang ◽  
Yongqiang Feng ◽  
Ying Zhang ◽  
Mingming Zhen ◽  
...  
Keyword(s):  
Magnetic Resonance Imaging ◽  
Magnetic Properties ◽  
Magnetic Resonance ◽  
Magnetic Moment ◽  
Effective Magnetic Moment ◽  
Water Soluble ◽  
Resonance Imaging ◽  
Imaging Application ◽  
Facile Preparation ◽  
Imaging Performance

A new water-soluble gadolinium metallofullerenol with an enhanced effective magnetic moment and improved T1-weighted relaxivity and magnetic resonance imaging performance in the liver.

Magnetic properties of some metastable Co–Ru alloys studied by ion beam mixing and ab initio calculation

2009 ◽  
Vol 94 (13) ◽  
pp. 131903 ◽  
Author(s):  
W. C. Wang ◽  
Y. Dai ◽  
T. L. Wang ◽  
J. H. Li ◽  
X. He ◽  
...  
Keyword(s):  
Magnetic Properties ◽  
Ab Initio ◽  
Ab Initio Calculation ◽  
Ion Beam ◽  
Ion Beam Mixing
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