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Ionic Hamiltonians for transition metal atoms: effective exchange coupling and Kondo temperature
(IOP Publishing, 2016-12)
An ionic Hamiltonian for describing the interaction between a metal and a d-shell transition metal atom having an orbital singlet state is introduced and its properties analyzed using the Schrieffer–Wolf transformation ...
Inelastic electron excitation of transition metal atoms and Kondo resonances
(Elsevier Academic Press Inc, 2019-01)
An ionic Hamiltonian based on the first Hund rule applied to transition metal atoms is reviewed and discussed in detail. The tunneling current between a STM-tip and a transition metal atom is analyzed by means of that ...
Inelastic tunneling spectroscopy for magnetic atoms and the Kondo resonance
(IOP Publishing, 2013-04)
The interaction between a single magnetic atom and the metal environment (including a magnetic field) is analyzed by introducing an ionic Hamiltonian combined with an effective crystal-field term, and by using a Green-function ...
Introducing the Inner Structure of the Magnetic Atom in the Interaction Between a Transition Metal Atom Impurity and a Metal Surface
(Springer, 2017)
This paper presents a review of the work performed by the authors toincorporate the inner structure of a d-shell magnetic atom in the description of the many-body interaction between a transition metal atom impurity and a ...
Electron Tunneling Excitation of a Coupled Two Impurity System
(Springer, 2018)
Kondo effects in individual atoms, molecular magnets or quantum dotshave received a lot of attention. Systems with two units, like double quantum dotsor two atoms, have also attracted some attention due to the interplay ...
Quantum Mechanical Model for Plasmon Excitations in Nanostructures
(Springer, 2015-01)
In this work, we develop a theoretical quantum mechanical model for describing the plasmon excitations in nanostructures. This model is based on the electronic density according to the Density Functional Theory (DFT). We ...
Multiorbital electronic correlation effects of Co adatoms on graphene: An ionic Hamiltonian approach
(American Physical Society, 2020-03)
In the present work, we propose an ionic Hamiltonian for describing the interaction of graphene with an adsorbed Co atom. In this approach, the electronic correlation effects, related to the many d orbitals involved in the ...
A microscopic view of substitution reactions solvated by ionic liquids
(AMER INST PHYSICS, 2008)
The solvation effect of the ionic liquid 1-N-butyl-3-methylimidazolium hexafluorophosphate on nucleophilic substitution reactions of halides toward the aliphatic carbon of methyl p-nitrobenzenesulfonate (pNBS) was investigated ...
Magnetic resonance study of chitosan bio-membranes with proton conductivity properties
(Elsevier BVAmsterdam, 2013-02)
This work reports results from impedance spectroscopy, nuclear magnetic resonance (NMR) and electron paramagnetic resonance (EPR) of chitosan bio-membranes, containing acetic acid and either with or without glycerol. Ionic ...
Phase transitions and spatially ordered counterion association in ionic-lipid membranes: A statistical model
(AMER PHYSICAL SOC, 2011)
We propose a statistical model to account for the gel-fluid anomalous phase transitions in charged bilayer- or lamellae-forming ionic lipids. The model Hamiltonian comprises effective attractive interactions to describe ...