二维三角柱光子晶体的传输特性

利用时域有限差分方法对二维三角介质柱光子晶体的传输特性进行了研究,计算了不同晶格、同一晶格柱体截面面积不同、放置方位角不同、入射波入射方向不同时光子晶体的传输特性。结果表明:光子禁带的宽度与中心频率和晶格结构有很大关系,三角晶格更易形成平坦光子禁带,柱体截面面积大,则形成的禁带较宽,在其他因素相同的条件下柱体放置的方位角在一定范围内对光子禁带有重要影响;对不同入射方向时光子晶体的传输特性的研究结果表明,在低频范围内,入射角对禁带宽度和中心频率没有任何影响,在高频段,透射率随入射角变大而降低。研究结果为实验上制作三角柱光子晶体器件提供了重要的理论依据。     

Inelastic Light Scattering Near the Ferroelectric Phase-Transition Point in Bismuth Vanadate Crystals

The Raman and Brillouin spectra in bismuth vanadate crystals near the ferroelectric phase-transition point are studied. The intensity maximum corresponding to the soft mode in light scattering spectra is found. This mode is responsible for the instability of the bismuth vanadate crystal lattice in the vicinity of the ferroelectric phase-transition point. Strong interaction of the soft optical mode with an acoustic mode of the corresponding symmetry is revealed by an analysis of the Raman and Brillouin spectra observed. The theory of light scattering by coupled lattice modes based on the model of two strongly coupled oscillators is developed. The introduction of an additional oscillator strongly interacting with the fundamental soft mode is shown to result in a temperature shift of the structural phase transition to higher temperatures. The results obtained confirm the possibility of changing the phase-transition temperature by modification of the vibrational spectrum through introduction of additional degrees of freedom or comminution of the macroscopic sample with formation of the ordered superdispersed structure (globular crystal). These results are general and can be subsequently used to increase the phase-transition temperature in ferroelastics, ferroelectrics, and superconductors.     

Influence of Thermal Annealing on Terahertz Dielectric Properties of ZnGeP2 Crystals

Russian Physics Journal - The influence of thermal annealing on the dielectric properties of ZnGeP2 crystals in the terahertz frequency range is studied by terahertz time domain spectroscopy. The...     

Electrophysical and Photo-Electrocatalytic Properties of MoS2 Nanofilms

Physics of Atomic Nuclei - MoS2 nanofilms were created by thermochemical processing (sulfurization) of thin-film Мо and МоОу precursors in S vapor. The precursor...     

Tellurium Solubility in TlGaTe<Subscript>2</Subscript> and TlInTe<Subscript>2</Subscript> and the Electrophysical Properties of Solid Solutions

The complex methods of the physicochemical analysis are used to study TlGaTe₂–Te and TlInTe₂–Te alloys in which the tellurium solubility region up to 5.0 at % is observed. The temperature dependences of the lattice parameters and the electrical conductivity of TlGaTe_{2 + x} and TlInTe_{2 + x} have been studied in different crystallographic directions. The TlGaTe_{2 + x} and TlInTe_{2 + x} solid solutions undergo a phase transition at a temperature of 498 K. The transition nature is interpreted.     

Structural and Optical Properties of Point Defects in α-SiO2 Cluster

First-principles methods based on the density functional theory (DFT) are used in order to calculate the structural and optical properties of α-SiO₂ cluster with the non-bridging oxygen hole centers (NBOHC) and NBOHC-E' defects. We clarify the stable structure of the NBOHC-E' point defects for the first time using the functional B3LYP, which is also tested to investigate the influence of electronic properties. The calculation is carried out for cluster configurations extracted from supercell. The results of optical absorption peak for Si₂O₇H₆ and Si₅O₁₆H₁₂ with NBOHC-E' defects are found at 2.66 eV, which is higher than the often observed OA peak at 2.0 eV for the NBOHC defect in α-SiO₂. The overall absorption spectra are in qualitative agreement with the experiment.     

Effect of S Substitution for P Point Defects in KDP Crystals： First-Principles Study

The electronic structure and geometric distribution of phosphor replaced by sulfur in potassium dihydrogen phosphate （KDP） are investigated by first-principles calculations. The point defect narrows down the energy gap to about 4.9eV, corresponding to a two-photon absorption of 355nm after correction. This can explain the decrease of the laser damage resistance in KDP crystals. Moreover, the defects twist the crystal structure and weaken bonds, especially the O-H bonds, so these bonds may be the first sites to crack under laser irradiation.     

Light Dispersion in Bismuth Germanate Crystals and Bismuth Oxide Films

The dispersion of light in Bi₄Ge₃O₁₂ and Bi₁₂GeO₂₀ single crystals and thin Bi₂O₃ films with a monoclinic structure was investigated in the visible spectral region. The parameters of a single-oscillator approximation have been found. It is established that in Bi₄Ge₃O₁₂ crystals the absorption band caused by the O2p–Bi6p transitions makes the main contribution to the dispersion curve in the visible region, whereas in Bi₁₂GeO₂₀ crystals this is made by transitions from the hybrid O2p–Bi6p states to the conduction band. The dispersion energy, the degree of the ionicity of binding, and the coordination number of the first coordination sphere of the Bi³⁺ cation have been determined.     

Multifrequency ESR Characterization of Paramagnetic Point Defects in Semiconducting Cubic BN Crystals

Low-frequency (X-band) electron spin resonance (ESR) investigations on commercially available large-grained cubic boron nitride (cBN) superabrasive powders of various coloration, combined with high-frequency (W-band) ESR measurements on oriented submillimeter-size single crystallites selected from the same powder samples, resulted in a clear identification of several types of paramagnetic point defects. The resulting spin Hamiltonian parameters describing the ESR spectra observed in the 3–293 K temperature range and the photosensitivity of the paramagnetic defects observed in amber-colored cBN samples are reported. It is shown that the nature of the paramagnetic centers depends on the color of the investigated samples and that, in many cases, uncontrolled impurities seem to be involved in their structure.     

Dielectric and Piezoelectric Properties of Sodium Bismuth Titanate Ceramics with KCe Substitution

The piezoelectric properties of the (KCe)-substituted sodium bismuth titanate (Na_0.5Bi_4.5Ti₄O₁₅, NBT) piezoelectric ceramics are investigated. The piezoelectric properties of NBT ceramics are significantly enhanced by (KCe) substitution. The Curie temperature Tc, and piezoelectric coefficient d₃₃ for the (KCe)-substituted NBT are found to be 663ºC, and 27pC/N, respectively. Dielectric and annealing spectroscopy resent that the (KCe) co-substituted NBT piezoelectric ceramics possess stable piezoelectric properties.     

面缺陷对三维胶体晶体光学性质的影响

利用化学自组装方法和旋涂技术,成功地将二氧化硅(SiO2)微球体植入聚苯乙烯微球组成的蛋白石中,获得了嵌有面缺陷的三维胶体晶体.经SiO2渗透后,煅烧除去聚苯乙烯微球,获得了反相结构的光子晶体.胶体球粒直径增大时,无论晶体中有无缺陷态的存在,蛋白石及其反相结构透射谱中峰的位置发生红移,反之则产生蓝移.在胶体球粒直径一定时,对于降低折射率的缺陷,其透射谱峰中缺陷态的位置发生红移;对于增加折射率的缺陷,其透射谱峰中缺陷态的位置发生蓝移.透射谱还与缺陷层的厚度等因素有关.     

Transformation of Radiation-Induced Molecular Point Defects and Color Centers in LiF Crystals under Influence of Light

Physics of the Solid State - The influences of UV light and integral light pulses from lamps on γ-irradiated LiF crystals with impurities of hydroxyl and magnesium ions have been investigated....     

Structural Relaxation and Vibrational Properties of a Surface with Point Defects

JETP Letters - The local structural changes and vibrational characteristics of the (001) surface of an fcc metal in the presence of vacancy/adatom point defects have been studied theoretically. The...     

Phase Pattern of Barium Strontium Titanate System and Dielectric Responses of Its Solid Solutions

Russian Physics Journal - Samples of solid solutions of the system Ba1–x Sr x TiO3 (0 ≤ x ≤1.0) are produced by solid-phase synthesis followed by sintering using conventional...     

Electrophysical Properties of ZnAs 2 and CdAs 2 at Hydrostatic Pressure up to 9 GPa

Specific electroresistance and Hall coefficient on oriented ZnAs 2 and CdAs 2 single crystals in the region of room temperatures at hydrostatic pressure up to 9 GPa were measured. In p -ZnAs 2 specific electroresistance falls for one order of magnitude with the increase of pressure, and Hall coefficient falls for two orders in magnitude, and at P =7 GPa specific electroresistance and Hall coefficient come out to a saturation. Under mentioned conditions the phase transition in investigated p -ZnAs 2 samples was not observed, in all probability it occurs under the pressure P >10 GPa. Two groups of n -CdAs 2 samples oriented on [1 0 0] and [0 0 1] directions were investigated. The reversible structural phase transition was observed in investigated n -CdAs 2 samples at P =5.5 GPa from the dependencies of specific electroresistance 𝜌 ( P ) and Hall coefficient R H ( P ). On the basis of the values of concentrations and mobilities before and after phase transition a conclusion was made that semiconductor-semiconductor transition takes place in n -CdAs 2 . Maxima that earlier weren't observed, were detected on dependencies 𝜌 ( P ), R H ( P ) at P =1.8 GPa and at P =3 GPa.     

Phase Diagrams of Solid Solutions of Relaxor Ferroelectrics from the Dielectric Spectroscopy Data

The dielectric spectra of Pb(_1–z)Ba _z (Mg_1/3Nb_2/3) _m (Zn_1/3Nb_2/3) _y (Ni_1/3Nb_2/3) _n TixO₃ (x = 0.25–0.4, y = 0.1130–0.0842, m = 0.4844–0.1298, n = 0.1266–0.4726, z = 0–0.15) ceramics with substitution in both A and B crystallographic positions of the perovskite structure are studied. The system demonstrates a transition from the relaxor state to the normal ferroelectric state in both cases: when the concentration of lead titanate grows and the concentration of barium is reduced. On the basis of experimental results, the x–T and z–T phase diagrams are plotted. Despite different crystal chemical reasons of the relaxor state emergence in the investigated solid solutions, their diagrams demonstrate an evident similarity. We have revealed the disappearance of the temperature hysteresis at the transition to the relaxor state in both cases, which has allowed us to make an assumption of the existence of tricritical points on the corresponding diagrams.     

Effect of Point and Line Defects on Mechanical and Thermal Properties of Graphene: A Review

New materials with distinctive properties are arising and attracting the scientific community at regular intervals. Stiffness and strength are the important factors in determining stability and lifetime of any technological devices, but defects which are inevitable at the time of production can alter the structural properties of any engineering materials. Developing graphene with specific structural properties depends upon controlling these defects, either by removing or deliberately engineering atomic structure to gain or tailoring specific properties. In this article, a comprehensive review of defective graphene sheets with respect to its mechanical and thermal properties are presented and examined.     

Electronic and Vibrational Properties of LiBO2 Crystals

Russian Physics Journal - On the basis of the density functional theory using the CRYSTAL code, electronic and vibrational properties of lithium metaborate in the monoclinic and tetragonal phases...