Electronic structure and exchange interactions in cobalt-phthalocyanine chains

2013 ◽  
Vol 88 (2) ◽  
Author(s):  
Wei Wu ◽  
N. M. Harrison ◽  
A. J. Fisher
Keyword(s):  
Electronic Structure ◽  
Exchange Interactions ◽  
Cobalt Phthalocyanine

scholarly journals Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling

2021 ◽  
Vol 103 (17) ◽  
Author(s):  
Vladislav Borisov ◽  
Yaroslav O. Kvashnin ◽  
Nikolaos Ntallis ◽  
Danny Thonig ◽  
Patrik Thunström ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Magnetic Materials ◽  
Exchange Interactions ◽  
Orbit Coupling ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Anisotropic Exchange

Electronic structure and effective chemical and magnetic exchange interactions in bcc Fe-Cr alloys

2009 ◽  
Vol 79 (5) ◽  
Author(s):  
P. A. Korzhavyi ◽  
A. V. Ruban ◽  
J. Odqvist ◽  
J.-O. Nilsson ◽  
B. Johansson
Keyword(s):  
Electronic Structure ◽  
Exchange Interactions ◽  
Magnetic Exchange

Electronic structure changes in cobalt phthalocyanine due to nanotube encapsulation probed using resonant inelastic X-ray scattering

2010 ◽  
Vol 12 (33) ◽  
pp. 9693 ◽  
Author(s):  
Janine C. Swarbrick ◽  
Tsu-Chien Weng ◽  
Karina Schulte ◽  
Andrei N. Khlobystov ◽  
Pieter Glatzel
Keyword(s):  
Electronic Structure ◽  
Cobalt Phthalocyanine ◽  
X Ray ◽  
X Ray Scattering ◽  
Structure Changes ◽  
Ray Scattering

First-principles Study of the Electronic Structure and Local Moment Interactions in PuAm Alloy

2008 ◽  
Vol 1104 ◽  
Author(s):  
Myung Joon Han ◽  
Xiangang Wan ◽  
Sergej Y Savrasov
Keyword(s):  
Electronic Structure ◽  
First Principles ◽  
Local Density ◽  
Exchange Interactions ◽  
Kondo Lattice ◽  
First Principles Calculations ◽  
Correlation Effects ◽  
Self Consistent ◽  
5F Electrons ◽  
Zero Moment

AbstractExpected to provide a clue about the origin of zero moment in the bulk phase of Plutonium, Pu1-xAmx alloys have attracted a great attention, in which upon doping the system transforms from the Kondo lattice to the diluted impurity limit. To understand the electronic structure and the magnetic properties of Pu in different crystal environments, we performed fully self-consistent first-principles calculations of the PuAm system based on the local density approximation (LDA) combined with static (LDA+U) and dynamic corrections (LDA+DMFT) for on-site electron correlations. The electronic structure strongly depends on the level of approximation for correlation effects. The exchange interactions between Pu 5f electrons and the Kondo screening strength were estimated and compared, which provide a new insight to Pu magnetism.

Electronic structure and exchange interactions inV15magnetic molecules:LDA+Uresults

2004 ◽  
Vol 70 (5) ◽  
Author(s):  
D. W. Boukhvalov ◽  
V. V. Dobrovitski ◽  
M. I. Katsnelson ◽  
A. I. Lichtenstein ◽  
B. N. Harmon ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Exchange Interactions

scholarly journals Theoretical modeling of the electronic structure and exchange interactions in Cu(II)Pc

2012 ◽  
Vol 391 ◽  
pp. 012119 ◽  
Author(s):  
Wei Wu ◽  
A J Fisher ◽  
N M Harrison ◽  
Hai Wang ◽  
Zhenlin Wu ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Exchange Interactions ◽  
Theoretical Modeling
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