scholarly journals Magnetic moment and magnetic anisotropy of linear and zigzag4dand5dtransition metal nanowires: First-principles calculations

2010 ◽  
Vol 81 (9) ◽  
Author(s):  
J. C. Tung ◽  
G. Y. Guo
Keyword(s):  
Magnetic Anisotropy ◽  
Magnetic Moment ◽  
First Principles ◽  
Metal Nanowires ◽  
First Principles Calculations

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

2017 ◽  
Vol 19 (23) ◽  
pp. 15021-15029 ◽  
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).

Modeling of diameter-dependent Fe and Co ultrathin nanowires from first-principles calculations

2017 ◽  
Vol 19 (23) ◽  
pp. 15412-15423 ◽  
Author(s):  
Shivam Kansara ◽  
Sanjeev K. Gupta ◽  
Yogesh Sonvane ◽  
Igor Lukačević
Keyword(s):  
Optical Properties ◽  
First Principles ◽  
Ferromagnetic Metal ◽  
Metal Nanowires ◽  
First Principles Calculations

We present the electronic, magnetic, thermoelectric and optical properties of ferromagnetic metal nanowires (NWs) made of iron (Fe) and cobalt (Co) atoms with different diameter using a first principles approach.

Interaction of Magnetic Impurities with Surfaces

1997 ◽  
Vol 475 ◽  
Author(s):  
L. Szunyogh ◽  
B.L. Györffy
Keyword(s):  
Thin Films ◽  
Fermi Surface ◽  
Magnetic Anisotropy ◽  
First Principles ◽  
Anisotropy Constant ◽  
Thickness Dependence ◽  
Magnetic Impurities ◽  
First Principles Calculations ◽  
Spin Polarized ◽  
Fe Impurity

ABSTRACTThe interaction of a magnetic (Fe) impurity with the surface of a non-magnetic (Au) semi-infinite host is investigated in terms of fully relativistic spin-polarized first principles calculations. It is shown that the surface induces a magnetic anisotropy on the impurity which is considerably larger than in the bulk. It is also found that the anisotropy constant K(d) is an oscillating function of the distance d between the impurity and the surface with an amplitude which falls as 1/d2 and a period which is determined by the shape of the Fermi Surface of the bulk Au host. However, the question still remains open whether the magnitude of the anisotropy energy is sufficiently large to explain the thickness dependence of the Kondo amplitude B in thin films of dilute FecAu1-c alloys.

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