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Electronic and Magnetic Properties of the Graphene/Eu/Ni(111) Hybrid System
-
Elena N. Voloshina
and
Yuriy S. Dedkov
Published/Copyright:
June 2, 2014
The electronic and magnetic properties of the graphene/Eu/Ni(111) intercalation-like system are studied in the framework of the general gradient approximation with the effective Coulomb potential (GGA+U) and dispersive interactions taken into account. Intercalation of monoatomic europium layer underneath graphene on Ni(111) leads to the drastic changes of the electronic structure of graphene compared to free-standing graphene as well as graphene/Ni(111). The strong influence of the spin-polarized europium 4 f states, crossing the graphene-derived π states, on magnetic properties of graphene and on spin-filtering properties of the graphene/Eu/Ni(111) trilayer is discussed.
Received: 2013-12-30
Revised: 2014-1-6
Published Online: 2014-6-2
Published in Print: 2014-7-1
© 1946 – 2014: Verlag der Zeitschrift für Naturforschung
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Articles in the same Issue
- Dedicated Editorial Communication: Jörg Fleischhauer 75
- Towards Correlated Sampling for the Fixed-Node Diffusion Quantum Monte Carlo Method
- Maxwell’s Demon Observing Creation of a Molecular Vibration
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- Quantum-Chemical Investigations on the Structural Variability of Anion–π Interactions
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- A Short Review on the Magnetic Effects Occurring at Organic Ferromagnetic Interfaces Formed between Benzene-Like Molecules and Graphene with Ferromagnetic Surfaces
- Theoretical Analysis of the Unusual Vicinal Effects on Electronic Circular Dichroism Spectra of Cobalt(III) Complexes with ED3A-Type and Related Ligands
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Keywords for this article
Graphene-Metal Interfaces;
Density Functional Theory;
Electronic Structure of Graphene
Articles in the same Issue
- Dedicated Editorial Communication: Jörg Fleischhauer 75
- Towards Correlated Sampling for the Fixed-Node Diffusion Quantum Monte Carlo Method
- Maxwell’s Demon Observing Creation of a Molecular Vibration
- Electronic and Magnetic Properties of the Graphene/Eu/Ni(111) Hybrid System
- The Conformation of Pentanoates in the Solid and in the Gas Phase
- The Role of Heme Chirality in the Circular Dichroism of Heme Proteins
- Convenient Small-Scale Preparation of p-Carborane by Pyrolysis of o-Carborane
- Computational Study of the Structure, the Flexibility, and the Electronic Circular Dichroism of Staurosporine – a Powerful Protein Kinase Inhibitor
- Quantum-Chemical Investigations on the Structural Variability of Anion–π Interactions
- Quantum-Chemical Ab Initio Calculations on Ala-(C5H5Al) and Galabenzene (C5H5Ga)
- A Short Review on the Magnetic Effects Occurring at Organic Ferromagnetic Interfaces Formed between Benzene-Like Molecules and Graphene with Ferromagnetic Surfaces
- Theoretical Analysis of the Unusual Vicinal Effects on Electronic Circular Dichroism Spectra of Cobalt(III) Complexes with ED3A-Type and Related Ligands
- Bonding Situation in Dimeric Group 15 Complexes [(NHC)2(E2)] (E = N–Bi)
