-
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...
-
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...
-
Article
Electron States of Atoms in Monolayers Adsorbed on Silicon Carbide
Estimates of charge transfer between adsorbate monolayer and SiC substrate based on account of the dipole–dipole repulsion and exchange interactions are presented. It is demonstrated that all the interaction c...
-
Article
On Fundamental Aspects of Solving the Problem of “Super” Storage of Hydrogen in Catalytically Synthetized Graphite Nanofibers
This work considered some fundamental aspects (basics) of solving the long-term (discussed by many researchers for about 25 years) problem of “super” storage (in Maeland’s terminology) of “reversible” hydrogen...
-
Article
On the Properties of Two-Dimensional Compounds AgX2 (X = F, Cl, Br, I)
Analytical expressions are obtained for the electron and phonon spectra and the electron–phonon interaction of two-dimensional (2D) compounds MX2, where M is a metal atom and X is a nonmetal atom, forming a 2D-Cu...
-
Article
On the Physics and Atomic Mechanisms of Molecular Hydrogen Intercalation into Graphite Nanofibers
The fundamental experimental data obtained in [I.O. Bashkin et al., JETP Lett. 79, 226 (2004)] on three states of hydrogen corresponding to physical sorption (state 1), chemisorption (state 2), and intercalation ...
-
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...
-
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 ...
-
Article
Model of a “Two-Dimensional Metal–Graphene-Like Compound” Junction: Consideration for Interaction between the Components
A graphene-like compound–two-dimensional d metal system is studied with consideration for interaction between the layer components. The Green’s functions of the layers are derived in the diagonal approximation. T...
-
Article
On the Contact of a Two-Dimensional Transition Metal with a Graphene-Like Compound
In terms of a simple model, analytical expressions for the charge transition and Schottky barrier height at the contact of a two-dimensional d-metal with a ANB8 – N graphene-like compound have been obtained. It h...
-
Article
On the Nature of Red Shift of the Raman G Peak in an Epitaxial Two-Dimensional Layer
The role of interplanar elastic interaction is considered in the model excluding strain at the monolayer–substrate interface. It is shown that this interaction increases the phonon frequencies. The role of ext...
-
Article
Adsorption of Group-II and -VI Atoms on Silicon-Carbide Polytypes
In the context of Haldane–Anderson’s model, the transferred charge and the energy of adsorption of alkali-earth metal atoms and oxygen-subgroup atoms on the C and Si faces of the 3C- and 4H-SiC polytypes are esti...
-
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...
-
Article
Model of Graphane-Like h-AB–C Compounds
By analogy with graphane and fluorographene, a model of graphane-like h-AB–C compounds is proposed, in which atoms A and B occupy sites of a plane hexagonal lattice and C atoms bounded with atoms A and B are arra...
-
Article
Elastic Properties of Graphene-Like Compounds: the Keating’s and Harisson’s Models
The third-order elastic constants, the pressure dependences of the second-order elastic constants, the Kleinman and Grüneisen parameters, and the thermal expansion coefficients have been estimated for nine IV–...
-
Article
Model Estimates of the Quantum Capacitance of Amorphous and Epitaxial Graphene-Like Compounds
Models of the densities of states of amorphous graphene and graphene-like binary compounds are proposed. The models are used for estimations of the quantum capacitance of these structures. It is shown that amo...
-
Article
Model Estimations of Fluorografene Properties
Analytical expressions for the electronic band dispersion were derived using the Green’s function method in the tight binding approximation. A parabolic approximation of the spectrum is proposed, within which ...
-
Article
Model Approach to the Description of Graphane Properties: Analytical Results
Analytical expressions for the dispersion of electron bands are obtained by the method of Green’s functions in the tight-binding approximation. A parabolic approximation of the spectrum is proposed, within the...
-
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...
-
Article
Adsorption of Group-I and -VII Atoms on Silicon-Carbide Polytypes
In the context of Haldane–Anderson’s model, the transferred charge and the energy of adsorption of alkali metal and halogen atoms on the C and Si faces of the 3C-, 6H-, and 4H-SiC polytypes are estimated. The con...
