64 Result(s)
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Article
Charge Transfer in the Vertical Structures Formed by Two-Dimensional Layers
Electronic structures of superlattices and encapsulated layers are obtained by Green’s function metho d. The simple scheme for estimation of interlayer charge transfer is proposed. As an example, layers of gra...
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Article
Magnetc States in the Surface Dimer Model for Adsorption
Abstract—For the electrons of surface dimer formed by adsorbed particle and substrate atom effects of the intra- and interatomic Coulomb interactions are taken into account. Two cases are considered: adsorption o...
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Article
Electronic Spectrum of Encapsulated Monolayers: Analytical Results
The Green’s function method has been used to obtain the dispersion law for a monolayer sandwiched between two crystalline planes. The regimes of weak and strong interaction of the monolayer with the environmen...
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Article
The Schottky Barrier on a Contact of a Magnetic 3d Metal with a Semiconductor
Analytical expressions for the charge (electron or hole) transfer between a metal and a semiconductor and for the Schottky barrier height are obtained using the Friedel model for the d band of a transition metal ...
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Article
The Role of Coulomb Interaction in the Defect Model of a Schottky Barrier
A model of a Schottky barrier is proposed in which dimers consisting of semiconductor defects and nearest metal atoms are present at the interface. Short-range Coulomb repulsion is included between defect elec...
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Article
Model Estimates of the Quantum Capacitance of Graphene-Like Nanostructures
Using simple models, analytical estimates of quantum capacitance CQ are obtained for an infinite sheet, a nanoribbon, and a chain of two-dimensional analogs of the ANB8 – N compounds with a hexagonal structure (g...
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Article
Model Estimates of the Quantum Capacitance of Graphene Nanostructures
Quantum capacitance CQ of an infinite graphene sheet, a graphene nanoribbon, and a chain of carbon atoms (carbyne) have been analytically estimated within the framework of simple models. A nonmonotonic dependence...
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Article
Dependence of the Electronic Structure of a Graphene Nanoribbon on the Concentration of Adsorbed Particles
The effect of the indirect exchange of particles adsorbed on a graphene nanoribbon on the width of the induced energy gap and the effective mass of carriers is studied. Analytical dependences of these characte...
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Article
Effective Masses and Characteristic Velocities of Charge Carriers in Low-Dimensional ANB8 –N Structures
Simple structural models and a previously proposed theory have been used for estimating bandgap widths, effective masses, and effective velocities of charge carriers in sheet- and zigzag-type nanoribbon and ch...
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Article
Adsorption of Barium Atoms on Silicon Carbide
The adsorption of barium atoms on C and Si faces of 3C-, 6H-, and 4H-SiC polytypes is examined using the Haldane–Anderson model. The charge transfer from a barium adatom to the substrate is analyzed with band and...
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Article
Coulomb Electron Interaction between an Adsorbate and Substrate: a Model of a Surface Dimer
The Coulomb interaction in the adsorption (adsorbate—substrate) system is reduced to a short-range repulsion between electrons of the adsorbed particle and atom of the substrate, which form a surface dimer. It...
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Article
Estimations of the Fermi Velocity and Effective Mass in Epitaxial Graphene and Carbyne
It is shown that the Fermi velocity of electrons is a natural characteristic of gapless graphene and cumulene modification of carbyne weakly coupled with the substrate. At the same time, in the presence of gap...
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Article
A Model of a Surface Dimer in the Problem of Adsorption
Abstract—The adsorption system has been represented in a form of two regions: a dimer, which includes the ad particle and substrate surface atom, and the rest of the space. Metal, semiconductor, and graphene (sem...
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Article
The Role of the Charge State of Surface Atoms of a Metal Substrate in Do** of Quasi-Free-Standing Graphene
To determine the effect of a metal substrate on the electronic state of quasi-free-standing graphene, a simple model taking into account the presence of the double electric layer on the metal surface is propos...
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Article
A Chain Model of a Zigzag Contact of Lateral Graphene-Like Heterostructures
A simple structural model is proposed for the zigzag interface formed by contacting two-dimensional graphene-like compounds AB and CD (both free and formed on a metal). For the graphene–hexagonal boron nitride sy...
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Article
Evaluation of Constants of Electron–Phonon Coupling between Gas Molecules and Graphene
The adsorption of CO, NO, NO2, Н2О, and NH3 molecules on ideal graphene and graphene doped with aluminum is analyzed using simple models. The constants of electron–phonon coupling are evaluated with the Lennard-J...
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Article
Influence of adsorption on the work function and conductivity of carbon nanostructures: Inconsistency of experimental data
Available experimental data for the influence of gas molecules on the work function and conductivity of nanostructured graphite and graphene layers have been scrutinize in terms of the theory earlier developed...
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Article
Elastic and photoelastic characteristics of graphene-like compounds
The central and noncentral harmonic force constants of the Keating model, proposed previously for describing elastic graphene constant, are obtained for 13 graphene-like IV–IV and III–V compounds. It is shown ...
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Article
Development of a spinodal decomposition model for the example of a heterostructure based on silicon carbide polytypes
The transition region of a 3C-SiC/4H-SiC heterostructure constituted by layers of the 3C and 4H polytypes has been studied. A previously proposed spinodal decomposition model was used to estimate the thickness ra...
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Article
On the role of temperature in the problem of adsorption on graphene
The effect of temperature on the charge of atoms adsorbed on the metal, semiconductor, and graphene substrate is analyzed using simple models. It is shown that the role of temperature in the case of metals is ...
