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Article
Nanoparticle Formation in Si Implanted with Zinc and Oxygen Ions With Subsequent Annealing in Vacuum
Nanoparticle formation in silicon subsequently doped with Zn and О ions and annealed in vacuum is presented in this paper. Standard n-type Si plates with the (100) orientation, a thickness of 380 nm, and a diamet...
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Article
Magnetic, Electronic, and Optical Properties of the Tetraborates NiB4O7 and CoB4O7 in Three Structural Modifications
The physical properties of the NiB4O7 and CoB4O7 tetraborate compounds in three structural modifications with the sp. gr. Pbca, Cmcm, and P6522 have been calculated using the density functional theory in the VASP...
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Article
Calculation and Comparison of Electronic, Vibrational, Polarization, and Magnetic Properties of Double Perovskites CaMnTi2O6 and CaFeTi2O6
Vibrational, polarization, magnetic, and electronic properties of double perovskites CaMnTi2O6 and CaFeTi2O6 with a rare type of “column” ordering of divalent metal cations have been calculated based on the densi...
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Article
Study of a SiO2/Si Structure Implanted with 64Zn+ and 16O+ Ions and Heat Treated in a Neutral Inert Environment
The surface layer of a SiO2/Si structure implanted with Zn+ and O+ ions and annealed in neutral and inert atmospheres is studied. At first, n-Si(100) silicon plates are oxidized in dry O2 to achieve an oxide-film...
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Article
Electronic Structure, Optical Properties, and Pressure Behavior of the CdB4O7 and HgB4O7 Compounds
Ab initio calculations of the structural, electronic, and optical properties of the CdB4O7 and HgB4O7 tetraborate compounds in three structural modifications with the Pbca, Cmcm, and Pmn21 symmetry have been perf...
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Article
Effect of a Rare-Earth Ion on the Structural Instability in RFe3(BO3)4 Crystals
The dynamics of the crystal lattice of RFe3(BO3)4 (R = Pr, Nd, Sm, Gd, Tb, Dy, and Ho) compounds in the high-symmetry R32 phase has been calculated. Significant changes in spectra of compounds with various rare-e...
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Article
Effect of Radiation-Induced Defects Produced by Low-Energy Protons in a Heavily Doped Layer on the Characteristics of n+‒p‒p+ Si Structures
The irradiation of semiconductor structures with low-energy protons is used to control changes in their properties at a depth ranging from 0.1 to 1000 μm. Devices manufactured from such structures have high se...
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Article
Ab Initio Study of the Polarization, Electronic, Magnetic, and Optical Properties of Perovskite SrMO3 (M = Fe, Mn) Crystals and Thin Films Containing Magnetic Ions
The magnetic, electronic, and polarization properties of the SrFeO3 and SrMnO3 compounds with a perovskite structure are calculated using the density functional theory in the bulk and thin-film states. A ferroele...
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Article
First Principles Investigation of the Magnetic, Magnetoelectric, and Optical Properties of Double Perovskites Containing Ions of Transition Metals LaPbTSbO6 (T = Fe, Co, Ni)
Within the first principles approach implemented in the VASP package, a correlation between magnetic, electronic, polarization, and optical properties, on the one hand, and the structural ordering of cations, ...
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Article
Graphene synthesis by cold implantation of carbon recoil atoms
A new method of introducing carbon into catalytic metal films for graphene synthesis is proposed. The method is based on the phenomenon of carbon recoil atoms from a layer of methane molecules that are adsorbe...
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Article
Thermodynamics of spin ice in staggered and direct (along the [111] axis) fields in the cluster approximation
We have analyzed the low-temperature thermodynamic properties of spin ice in the staggered and direct (acting along the [111] axis) fields for rare-earth oxides with the chalcolamprite structure and general fo...
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Article
Electronic structure, lattice dynamics, and magnetoelectric properties of double perovskite La2CuTiO6
The results of ab initio calculations of the electronic structure, vibrational properties, and the magnetoelectric effect in the La2CuTiO6 crystal with double perovskite structure are presented. The lattice dynam...
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Article
Calculation of the electronic structure, lattice dynamics, and optical and magnetic properties of europium tetraborate EuB4O7
The electronic band structure, lattice vibration frequencies, and optical and magnetic properties of EuB4O7 crystal with α-SrB4O7-type structure are calculated within the density functional method. It is found th...
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Article
Ab initio investigation of the magnetic and ferroelectric properties of double perovskites LaPbMeSbO6 (Me = Mn, Fe, Co, Ni)
The results of ab initio calculations of the ferroelectric and magnetic properties of the recently synthesized double perovskites LaPbMeSbO6 (Me 2+ = Mn2+, Fe2+, Co2+, Ni2+) have been presented. T...
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Article
Calculation of lattice dynamics, elastic and dielectric properties of γ-BiB3O6 and δ-BiB3O6
The crystal lattice vibration frequencies, densities of phonon states, elastic moduli, and high-frequency permittivities have been calculated in terms of the density functional theory method for two polymorphs...
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Article
Effect of an Eu3+ impurity on the antiferrodistortion and ferroelectric instabilities in an EuTiO3 bulk crystal and thin films
The existence of an antiferrodistortion transition in EuTiO3 is disputable, and this question needs to be answered. One of the possible causes is the presence of an Eu3+ impurity in a sample. A nonempirical polar...
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Article
Migration of Fe atoms in crystalline (Si) and amorphous (SiO2) materials at their irradiation and heating
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Article
Influence of the chemical nature of implanted ions on the structure of a silicon layer damaged by implantation
The influence of the implantation of silicon single crystals by fluorine, nitrogen, oxygen, and neon ions on the distribution of strain and the static Debye-Waller factor in the crystal lattice over the implan...
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Article
Vibrational spectra and elastic, piezoelectric, and magnetoelectric properties of HoFe3(BO3)4 and HoAl3(BO3)4 crystals
Raman spectra of light are obtained for HoFe3(BO3)4 and HoAl3(BO3)4 crystals at various temperatures and are used for determining the frequencies of crystal lattice vibrations at the center of the Brillouin zone....
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Article
Carbon and carbon-silicon carbide nanocomposites with inverse opal structure
Synthesis, morphology, and structural characteristics of carbon and SiC/C nanocomposites with a lattice of inverse opal were investigated. Porous structure characteristics were determined by gas adsorption-des...