Phase Diagrams of Polytype Transformations in Close-Packed Crystals Including Metastable States

The paper offers a method for calculating phase diagrams of polytype transformations in close-packed crystals based on the generalized axial Ising's model of finite dimensions at non-zero temperatures. Using the Metropolis algorithm, the behavior of systems with polytype transitions is studied under the conditions of changing external shear stress and temperature. The longest polytype period considered here is taken to be 30 close-packed planes.     

Special features of polytype transformations under changing external shear stress and temperature

Within the generalized axial finite-dimensional Ising model, possible model and experimental non-equilibrium polytype 3C-2H and 9R-3C transformations and twinning of the fcc-lattice of close-packed model crystals are considered. These transformations are realized in a great number of metals as well as cobalt, iron, and copper-base alloys and observed on variation of both the applied load and the temperature. The structure transformations simulated in the model may involve a number of multilayer metastable structures. Hysteresis phenomena found under variations of the external stress and temperature and their behavior in response to long-range interactions corresponding to atomic interactions in the fcc lattice in ten coordination spheres and in many-body interaction responsible for the stability of the 4H structure are considered. Factors accounting for the formation of metastable states and hysteresis effects are analyzed. It is shown that the crystal form may undergo a non-monotonic change as the applied load and temperature are varied. Siberian Physicotechnical Institute at Tomsk State University. Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 9, pp. 80–86, September 1999.     

A faulted matrix model for the spiral growth of polytype structures

A faulted matrix model for the spiral growth of polytype structures is proposed and takes into account the presence of stacking faults in the basic structure. The most probable structures theoretically deduced from such a model are shown to be in excellent agreement with those actually observed in PbI₂.     

Depth-resolved cathodoluminescence characterization of buried InGaP/GaAs heterointerfaces

As a new approach for contactless and non-destructive characterization method of buried multi-layer heterointerfaces, acceleration voltage-dependence of cathodoluminescence (CL) spectra is investigated for various InGaP/GaAs multi-layer heterostructures. The plot of CL intensity vs. acceleration voltage for a multi-layer heterostructure is defined as the cathodoluminescence in-depth spectrum (CLIS). Experimental CLIS spectra on InGaP/GaAs single heterostructures and quantum well structures grown on GaAs by MOVPE and by GSMBE using TBP as the P source demonstrate that CLIS technique is very powerful to obtain depth-resolved information on multi-layer heterostructures.     

Light propagation in polytype Thue–Morse structures made of porous silicon

For the first time, two different sets of polytype Thue–Morse multilayered porous silicon structures are studied to investigate the reflection of light in aperiodic dielectrics. The optical response of the samples was studied before and after oxidation. The results were compared with the classical periodic structure, and an enhancement in the number of photonic bandgaps with a significant blue shift in reflectance peaks, in some of the structures, were observed. Numerical simulation along the lines of the transfer matrix approach is also presented.     

Effect of grain-boundary conditions on polytype transformations in close-packed crystals

Within the framework of a modified Ising model, the effect of the boundary conditions (“free ends” and periodic boundary conditions) on the polytype structure stability is studied in close-packed crystals. Using the ground state diagrams, feasible structures and transformation induced by an external field are identified. An analysis of the model system dimensions and long- and short-range many-body interaction on the shape of the ground state diagrams under different boundary conditions is made. The temperature effects on the polytype structure characteristics are discussed in detail. It is shown that both at the absolute zero and finite temperatures, the effects of the boundary conditions on certain properties could be predominant.__________This revised version was published online in May 2005 with a correction on affiliation.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 11, pp. 61–66, November 2004.     

Techniques for Polytypic Transformations in Silicon Carbide

Physics of the Solid State - Two main polytype transformations in silicon carbide, namely, 2H → 6H and 3C → 6H, have been studied by ab initio methods. It has been shown that the...     

Crystal structure and electronic spectrum of SnS2

It is shown that layered metal dichalcogenides are quasi-one-dimensional molecular crystals and form a new class of crystal structures — molecular close packed. Since the minimum structural unit in these crystals is a monomolecular layer, using the symbols employed in atomic close packing to describe them gives a mistaken representation of their structure and symmetry. A new system of notation is proposed which provides complete and exact information about the ordering of the atomic layers in different polytype modifications and about their symmetries. It is found that in molecular close packing and, especially, in tin disulfide, there is not one (as in atomic close packing), but two, simplest structures, 1T and 1H, containing one molecule each in a unit cell and, therefore, two series of superlattices constructed on their basis. An energy model is constructed for the natural superlattice in tin disulfide crystals and the electronic spectra of the 2H, 4H, and 9R polytype modifications are calculated in the Kronig-Penney approximation with rectangular potential barriers as superstructure perturbations of the simplest structures. These results make it possible to explain the observed complicated dependence of the band gaps of these crystals on polytype structure. Fiz. Tverd. Tela (St. Petersburg) 40, 1712–1718 (September 1998)     

Determination of size and concentration of critical clusters of silicon carbide in the vapour phase in homogeneous nucleation process

The concentrations of clusters of various size in the atmosphere during silicon carbide crystal growth have been calculated on the basis of fundamental ideas of homogeneous nucleation theory, taking into account the specific parameters of silicon carbide. It has been shown that the cluster concentration are sufficiently high to conclude that this is the dominant influence during the initial stages of crystal growth. In this way the assumption of the polymer theory of polytypism, namely that the polytype properties of silicon carbide can be determined from the composition of the gas phase, containing sufficiently large clusters with various polytype structures, has been confirmed.     

Spectrum splitting using multi-layer dielectric meta-surfaces for efficient solar energy harvesting

We designed a high-efficiency dispersive mirror based on multi-layer dielectric meta-surfaces. By replacing the secondary mirror of a dome solar concentrator with this dispersive mirror, the solar concentrator can be converted into a spectrum-splitting photovoltaic system with higher energy harvesting efficiency and potentially lower cost. The meta-surfaces are consisted of high-index contrast gratings (HCG). The structures and parameters of the dispersive mirror (i.e. stacked HCG) are optimized based on finite-difference time-domain and rigorous coupled-wave analysis method. Our numerical study shows that the dispersive mirror can direct light with different wavelengths into different angles in the entire solar spectrum, maintaining very low energy loss. Our approach will not only improve the energy harvesting efficiency, but also lower the cost by using single junction cells instead of multi-layer tandem solar cells. Moreover, this approach has the minimal disruption to the existing solar concentrator infrastructures.     

Specific features of the formation of the ferroelectric phase in polytypes of TlGaSe2 crystals

The polytypism of layered crystals of thallium gallium diselenide TlGaSe₂ has been found to substantially affect the temperature of phase transformations and the mechanism of formation of the polar state in these ferroelectrics. In particular, it is shown that the phase transition observed in the C-TlGaSe₂ polytype is an improper ferroelectric phase transition occurring at a temperature T _c ≈ 108 K, whereas the phase transition observed in the 2C-TlGaSe₂ polytype is a proper ferroelectric phase transition occurring at a higher temperature T _c ≈ 111 K. It is concluded that the elucidation of the polytype of a particular sample is a necessary stage of investigation of the TlGaSe₂ crystals.     

Polytypism of silicon carbide and Schottky barriers

The results obtained in our previous work [4] are revised taking into account the dependence of the electron affinity on the polytype of silicon carbide SiC. The dependence of the energy level of vacancies in a polytype of silicon carbide on the band gap is determined from the data on the Schottky barrier height and is explained in the framework of a simple two-band model.     

A general modal approach for the development of optimal multi-layer stacked vibration energy harvesters

Piezoelectric vibration energy harvesters with multi-layer stacked structures have been developed. They consist of multi-layer beams, of zigzag configurations, with rigid masses attached between the beams. The rigid masses, which also serve as spacers, are attached to each layer to tune the frequencies of the harvester. Close resonance frequencies and considerable power output can be achieved in multiple modes by varying the positions of the masses. A modal approach is introduced to determine the modal performance conveniently using the mass ratio and the modal electromechanical coupling coefficient, and the required modal parameters are derived using the finite element method. Mass ratio represents the influence of modal mechanical behaviour on the power density. Since the modes with larger mass ratios cause the remaining modes to have smaller mass ratios and lower power densities, a screening process using the modal approach is developed to determine the optimal or near-optimal performance of the harvesters when altering mass positions. This procedure obviates the need for full analysis by pre-selecting the harvester configurations with close resonances and favourable values of mass ratio initially. Furthermore, the multi-layer stacked designs using the modal approach can be used to develop harvesters with different sizes with the power ranging from microwatts to milliwatts.     

Global Completability with Applications to Self-Consistent Quantum Tomography

Motivated by recent developments on solvable directed polymer models, we define a ‘multi-layer’ extension of the stochastic heat equation involving non-intersecting Brownian motions. By developing a connection with Darboux transformations and the two-dimensional Toda equations, we conjecture a Markovian evolution in time for this multi-layer process. As a first step in this direction, we establish an analogue of the Karlin-McGregor formula for the stochastic heat equation and use it to prove a special case of this conjecture.     

A KLM-circuit model of a multi-layer transducer for acoustic bladder volume measurements

In a preceding study a new technique to non-invasively measure the bladder volume on the basis of non-linear wave propagation was validated. It was shown that the harmonic level generated at the posterior bladder wall increases for larger bladder volumes. A dedicated transducer is needed to further verify and implement this approach. This transducer must be capable of both transmission of high-pressure waves at fundamental frequency and reception of up to the third harmonic. For this purpose, a multi-layer transducer was constructed using a single element PZT transducer for transmission and a PVDF top-layer for reception. To determine feasibility of the multi-layer concept for bladder volume measurements, and to ensure optimal performance, an equivalent mathematical model on the basis of KLM-circuit modeling was generated. This model was obtained in two subsequent steps. Firstly, the PZT transducer was modeled without PVDF-layer attached by means of matching the model with the measured electrical input impedance. It was validated using pulse-echo measurements. Secondly, the model was extended with the PVDF-layer. The total model was validated by considering the PVDF-layer as a hydrophone on the PZT transducer surface and comparing the measured and simulated PVDF responses on a wave transmitted by the PZT transducer. The obtained results indicated that a valid model for the multi-layer transducer was constructed. The model showed feasibility of the multi-layer concept for bladder volume measurements. It also allowed for further optimization with respect to electrical matching and transmit waveform. Additionally, the model demonstrated the effect of mechanical loading of the PVDF-layer on the PZT transducer.     

Actively shielded multi-layer gradient coil designs with improved cooling properties

In standard cylindrical gradient coils consisting of a single layer of wires, a limiting factor in achieving very large magnetic field gradients is the rapid increase in coil resistance with efficiency. This is a particular problem in small-bore scanners, such as those used for MR microscopy. By adopting a multi-layer design in which the coil wires are allowed to spread out into multiple layers wound at increasing radii, a more favourable scaling of resistance with efficiency is achieved, thus allowing the design of more powerful gradient coils with acceptable resistance values. Previously this approach has been applied to the design of unshielded, longitudinal, and transverse gradient coils. Here, the multi-layer approach has been extended to allow the design of actively shielded multi-layer gradient coils, and also to produce coils exhibiting enhanced cooling characteristics. An iterative approach to modelling the steady-state temperature distribution within the coil has also been developed. Results indicate that a good level of screening can be achieved in multi-layer coils, that small versions of such coils can yield higher efficiencies at fixed resistance than conventional two-layer (primary and screen) coils, and that performance improves as the number of layers of increases. Simulations show that by optimising multi-layer coils for cooling it is possible to achieve significantly higher gradient strengths at a fixed maximum operating temperature. A four-layer coil of 8 mm inner diameter has been constructed and used to test the steady-state temperature model.     

Concentration profiles of binary multi-layer films in non-equilibrium state

The time evolution of the concentration profile in a binary multi-layer film is investigated by using the Cahn-Hilliard equation, which is obtained on a basis of the lattice gas model treated within the framework of the layered mean-field approximation. For binary alloys with some ordered structures in the bulk equilibrium phase diagram, it is found that the corresponding structures appear and/or disappear with time, and then the system attains the thermal equilibrium state after an infinite time. It is also found that the time evolution strongly depends on the initial state.     

多层多屏绝热液氦杜瓦传热分析

分析了不同液氦杜瓦结构,指出多屏多层的杜瓦的优缺点。通过对多屏多层绝热中不同传热方式的逐个分析,建立了一个理论传热模型。依照模型采用数值分析的方式,对多层层数为100层时的传热进行了分析,获得传导冷屏分布方式对传热流密度的影响曲线,并指出多层多屏分布的优化应同时考虑空间和温度两个因素。     

Fano resonances in vertically and horizontally coupled micro-resonators

Fano resonances are desirable lineshapes for numerous applications in diverse fields, due to their small bandwidth and potentially high extinction ratio. In this paper we propose and analyze two configurations of optical add-drop filters exhibiting Fano resonances. The first approach is based on a planar structure add drop filter comprising concentric racetrack resonators. The second approach is based on a multi-layer structure comprising two micro-rings located in different layers which are coupled via I/O waveguides located in a middle layer. Analytic models for these structures are developed and studied and compared to three dimensional finite difference time domain simulations.     

On the calculation of the linear and quadratic dielectric susceptibilities of hexagonal silicon carbide

The electron and lattice contributions to the linear and quadratic dielectric susceptibilities of the hexagonal polytype of silicon carbide 2H-SiC are calculated within the Harrison bond-orbital model. The results obtained are in satisfactory agreement with the calculations performed by other authors and are close in order of magnitude to the corresponding values for the 6H-SiC polytype.