Pseudo Gaps Research Articles

Prediction of NbTaTiZr-based high-entropy alloys with high strength or ductility: First-principles calculations

Refractory high-entropy alloys (RHEAs) have a great potential in high-temperature electronics, extensive aerospace and biomedical applications due to their unique strength and ductility. Herein, the effects of alloying elements on the mechanical and electronic properties of NbTaTiZrX (X = V, Mo, Hf, W and Re) RHEAs are investigated by using the density functional theory (DFT) in combination with the special quasi-random structure (SQS) and virtual crystal approximation (VCA) methods. The calculated results show that alloying of Mo, W and Re with high elastic modulus can enhance the strength and the hardness of RHEAs. Among them, NbTaTiZrRe RHEA with the best strengthening effect has a yield strength of exceeds 2 GPa, which is notably higher than other considered high-entropy alloys. For alloying of V and Hf, the ductility of RHEAs is improved, and among which, NbTaTiZrHf RHEA has a relatively best ductility. Compared with other NbTaTiZrX RHEAs, spiral dislocations in NbTaTiZrHf RHEA are more prone to nucleate, and which confirms its excellent ductility. Moreover, the reduction of pseudo energy gaps and the formation of Hf–Hf strong metallic bonds further confirm its metallic ductility from the electronic density of states and charge density. The theoretical predictions in this study are congruent with the existing experimental data, and have certain theoretical guidance relevance for enhancing the mechanical characteristics of NbTaTiZrX (X = V, Mo, Hf, W and Re) RHEAs.

Theoretical study of CDW phases for bulk NbX2 (X = S and Se).

In most two-dimensional transition metal chalcogenides, the superconducting phase coexists with the charge density wave (CDW) phase. There exists at least one case, i.e. bulk 2H-NbS2, that does not conform to this picture. Scientists have shown great interest in trying to experimentally find the CDW phase of bulk NbS2 since 1975. Is there any theoretically more stable thermodynamic state than its higher-temperature metal phase, especially in the case of charge injection? Theoretically more stable CDW bulk configurations (TC for 2H-NbS2 and TTs for 2H-NbSe2) with partial pseudo energy gaps were predicted through the harmonic phonon softening theory and first-principles calculations. The ratios of larger to smaller pseudo gaps around K-H segment in the Brillouin zone for CDW phases are basically equal to those of superconductivity phases for bulk 2H-NbX2 (X = S and Se). The CDW phase should coexist with its superconductor state below the critical temperature rather than the metal phase for bulk 2H-NbS2. The presence of CDW phase should be more easily observed experimentally when the injected charge reaches 0.5e/Nb18S36 for bulk 2H-NbS2. Our calculations of density of state (DOS) indicated that, during Nb atoms contracting to form the CDW phases with symmetry breaking in the in-plane direction, dominant conductive carriers are always of p-type for bulk 2H-NbS2 while the alternation of carrier type from p-type to n-type occurs for bulk 2H-NbSe2. The Fermi level continuously drops and then the M-L segment of the out-of-plane energy band emerges from the Fermi surface, which corresponds to the reversal of p-n type sign. Lifshitz transition of pocket-vanishing types occurs in the out-of-plane direction without symmetry breaking during the geometrical structural phase transition for bulk 2H-NbSe2. Our calculations have theoretically addressed the long-standing coexistence issue of CDW and superconducting phases.

A theoretical study of Lifshitz transition for 2H-TaS2.

Lifshitz transition was proposed to explain a change of the topology structure in a Fermi surface induced by continuous lattice deformation without symmetry breaking since 1960. It is well known that the anomalies of the kinetic coefficients (the coefficient of heat conduction and electrical conductivity, viscosity, sound absorption, etc.) are usually closely connected with the Lifshitz transition behavior. 2H-TaS2 is a typical representative to study its anomalies of temperature dependence of heat capacity, resistivity, Hall effect, and magnetic susceptibility. Its geometrical structure of the charge density wave (CDW) phase and layer number dependence of carrier-sign alternation upon cooling in the Hall measurements have not been well understood. The geometrical structure (T-Ts) of the CDW phase was predicted through first principles calculations for bulk and mono-layer 2H-TaS2. Driven by electron-lattice coupling, Ta atoms contract to form a partially gapped CDW phase. The CDW phase has a larger average interlayer separation of S-S atoms in the adjacent two layers compared with the metal phase, which results in a weaker chemical bonding among S-S atoms in the adjacent two layers and then a narrower bandwidth of the energy band. The narrower bandwidth of the energy band leads to a larger density of states (DOS) in the out-of-plane direction above the Fermi level for the CDW phase. As the Fermi level continually drops from the DOS region with a negative slope to that with a positive slope on cooling, the reversal of the p → n type carrier and the pocket-vanishing-type Lifshitz transition occur in the bulk 2H-TaS2. However, the Fermi level slightly drops by 6 meV and happens to be at the positions of pseudo band gaps, so the reduction of in-plane DOS and total DOS is responsible for the always p-type carrier in the mono-layer samples. Our CDW vector of the k-space separation between two saddle points is QSP ≈ 0.62 GK and can provide a theoretical support for the "saddle-point" CDW mechanism proposed by Rice and Scott. Our theoretical explanation gives a new understanding of both Lifshitz transition for symmetry breaking and reversal for the p-n carrier sign in the Hall measurements in various two-dimensional transition metal disulfides.

Wave motion of spinning periodically multi-stepped pipes — Dynamics of a novel motional 2D phononic crystal structure

With the rapid development of processing technology, phononic crystals (PCs) have been gradually applied from conceptual model to practical engineering structure. In this paper, a novel motional two-dimensional (2D) PC structure — spinning periodically multi-stepped pipes is proposed. Due to the spinning motion, there will be two flexural waves respectively in the orthogonally transverse directions, forming such a planar PC structure. Considering a constant internal flow, the wave propagation and self-attenuation characteristics of the system are explored. Improved spectral element method and transfer matrix method are applied to treat such spatial wave motion. Based on the attained band structure in conjunction with the frequency response and wave shape, a significant mechanism is revealed that for a spinning periodically multi-stepped pipe conveying fluid, there are two sets of pseudo band gaps (BGs) generated owing to the gyroscopic effect, which do not exist in a static PC structure. However, the effective BG regions, where both the flexural waves truly attenuate, are actually located in their coincident frequency areas. Furthermore, the effects of number and geometry of sub-segments and motional parameters on the BG are discussed in detail. The present research will develop the PC dynamics in motional structures, and provide an in-depth theoretical basis for vibration suppression of engineering pipe system.

Vibration self-suppression of spinning fluid-conveying pipes composed of periodic composites

In this paper, a novel fluid-conveying phononic crystal (PC) pipe model is proposed. The pipe is composed of different materials arranged alternately, and an axially spinning motion is considered. The flexural wave motions along the orthogonally transverse directions trigger a two-dimensional (2D) PC structure. A planar spectral element (SE) model of the system is established, and the transverse free vibration and wave attenuation performance of such spinning periodic structure are explored thereby. The transfer matrix method is also utilized for validation. It is found that different pseudo Bragg band gaps (BGs) exist in the two transverse directions, while the effective BGs are actually located in their coupled regions, in which the vibration is truly self-suppressed. Such peculiar BG characteristic has not been theoretically revealed previously. Additionally, the spinning motion will reduce the effective BG regions of the periodic pipe. The impacts of the number of cells, flow velocity and component geometry on the natural frequencies and coupled BGs are also studied. The results obtained will provide theoretical basis and design reference for the potential applications of PC-type fluid-conveying devices.

Band energies in two-band model for Fe based superconductors in the coexistence state

The superconductivity in iron based superconductors is hotly discussed since its discovery. The pairing mechanism and the gap structures for such superconductors are the core of attraction for debate. The superconductivity exists on the suppression of the pseudo gaps like antiferromagnetism and structural distortion. The Fermi surface band structure is studied by proposing a tight binding two-orbital model in s±-wave pairing symmetry for the coexistence of Jahn-Teller distortion and antiferromagnetism with superconductivity.

A first principles study on the ground state properties of three ferromagnetic skutterudites NdB4As12 (B = Fe, Ru, Os)

Structural, electronic, magnetic and optical properties of three neodymium filled skutterudites NdB4As12 (where B = Fe, Ru, Os) have been studied by using FP-LAPW method. PBE-GGA has been used for the exchange–correlation potential. Osmium based skutterudite is found to have maximum stiffness to external pressure. All three compounds exhibit similar band structures. Concentration of bands near the Fermi level, presence of pseudo band gaps above the Fermi level and crossing the Fermi level of bands originating from the conduction region suggest the metallic nature of the materials. The compounds are also expected to be suitable for thermoelectric application. Splitting of f states of Nd atoms, observed in spin dependent DOS studies, signifies ferromagnetic nature of the Fe, Ru, Os based compounds with effective magnetic moment of 2.149 μB, 3.573 μB and 3.379 μB, respectively. Complex dielectric function, refractive index and optical conductivity have also been calculated in the photon energy range (0–14 eV).

Synthesis and Photocatalytic Properties of Tantalum Nitride with an Inverse Opal Structure

Certain oxynitrides (LaTiO2N and TaON) and nitrides (Ta3N5) demonstrate potential as visible-light-driven photocatalysts1. These materials are typically synthesized from oxide precursors by thermal ammonolysis at temperatures up to 950 oC. Accordingly, these oxynitrides and nitrides intrinsically possess an abundance of anion vacancies or defects which act as electron-hole pair recombination centers, thereby limiting photocatalytic performance. In this work, we introduce photonic band gap engineering as a strategy for suppressing electron-hole pair recombination in tantalum nitride thin films, thereby achieving improved photocatalytic performance. Briefly, a series of inverse opal (IO) Ta3N5 thin films with different macropore sizes were fabricated by the colloidal crystal template approach. This kind of approach has been successfully made on TiO2 photocatalysts2. Three batches of monodisperse polymethylmethacrylate (PMMA) colloids of diameters ranging from 230 to 430 nm were first synthesized by the surfactant-free emulsion polymerization of methyl methacrylate. PMMA colloidal crystal thin films were then grown on silica glass slides using a flow-controlled vertical deposition technique. As the meniscus of the suspension moved down the glass slide by pumping up a peristaltic pump, colloidal crystal layer of several microns were deposited. Several drops of TaCl5 solution were placed softly on the edge of the colloidal crystal and immersed into the crystal by capillary phenomena. Subsequently, the interstitial voids in the colloidal crystal films (synthetic opals) were filled with a tantalum hydroxide sol. Ammonolysis of the resulting composite films under an ammonia stream of 200 ml/min at 700ºC yielded IO Ta3N5 thin films, shown in Fig.1. The IO Ta3N5 films possess a 3-dimensionally ordered macroporous structure with periodicity on the scale of visible-light wavelengths, resulting in pseudo photonic band gaps at visible wavelengths. By matching the red-edge of the PBG location with the absorption edge of Ta3N5, electron-hole pair recombination is suppressed and the photocatalytic activity dramatically improved. In this experiment, strong reflection due to [111] photonic bandgap was clearly observed at 543nm for the IO amorphous Ta2O5 film and at 581nm for the IO Ta3N5 film, respectively. Appearance of the IO Ta3N5 film was reddish orange in color but it gave a strong yellow reflection in a certain angle, seen in Fig. 2. Since the optical bandgap of Ta3N5 was estimated to be 2.1eV (=590nm), the IO tantalum nitrides with both optical and bandgaps properly matched could be fabricated. Photocatalystic H2 evolution activity of the IO Ta3N5 under UV or visible ray irradiation will be appeared at the presentation, togather with a comparison with that of Ta3N5 powder. References Tsuyoshi Takata, Chengsi Pan and Kazunari Domen; Sci. Technol. Adv. Mater., 16 (2015) 033506 (18pp).Waterhouse et al., Sci. Rep., 3 (2013) 2849 (5pp). Figure 1

Nonlinear optical properties of synthesized porous nanostructures PMMA via template-directed methods

Colloidal crystals (opals) made of close-packed polymethylmethacrylate (PMMA) were fabricated and grown by Template-Directed methods to obtain porous materials with well-ordered periodicity and interconnected pore systems to manufacture photonic crystals. Opals were made from aqueous suspensions of monodisperse PMMA spheres with diameters between 280 and 415 nm. SEM confirmed the PMMA spheres crystallized uniformly in a face-centered cubic (FCC) array. Optical properties of synthesized pores PMMA were characterized by UV–Visible spectroscopy. It shows that the colloidal crystals possess pseudo photonic band gaps in the visible region. A combination of Bragg’s law of diffraction and Snell’s law of refraction were used to calculate the sphere diameter. Finally, colloidal crystals were subjected to Z-scan experiment under pulsed Q-switched Nd:YAG laser illumination to characterize it for third order nonlinear optical properties. Z-scan results show the change in transmittance of a beam, and the nonlinear refractive index is n2 = 9.82787 x 10-12 (cm2/GW), while the nonlinear absorption coefficient β= 0.04673908 (cm/GW). These results were attributed to enhance the self-focusing arising from Kerr effect and the two-photon absorption.

Achieving Color and Function with Structure: Optical and Catalytic Support Properties of ZrO2 Inverse Opal Thin Films.

Taking inspiration from natural photonic crystal architectures, we report herein the successful fabrication of zirconia inverse opal (ZrO2 IO) thin-film photonic crystals possessing striking iridescence at visible wavelengths. Poly(methyl methacrylate) (PMMA) colloidal crystal thin films (synthetic opals) were first deposited on glass microscope slides, after which the interstitial voids in the films were filled with a Zr(IV) sol. Controlled calcination of the resulting composite films yielded iridescent ZrO2 IO thin films with pseudo photonic band gaps (PBGs) along the surface normal at visible wavelengths. The PBG position was dependent on the macropore diameter (D) in the inverse opals (and thus proportional to the diameter of the PMMA colloids in the sacrificial templates), the incident angle of light with respect to the surface normal (θ), and also the refractive index of the medium filling the macropores, all of which were accurately described by a modified Bragg’s law expression. Au/ZrO2 IO catalysts prepared using the ZrO2 IO films demonstrated outstanding performance for the reduction of 4-nitrophenol to 4-aminophenol in the presence of NaBH4, which can be attributed to the interconnected macroporosity in the films, which afforded a high Au nanoparticle dispersion and also facile diffusion of 4-nitrophenol to the catalytically active Au sites.

Mixed Sr and Ba Tri-Stannides/Plumbides AII(Sn1−xPbx)3

The continuous substitution of tin by lead (M IV ) allows for the exploration geometric criteria for the stability of the different stacking variants of alkaline-earth tri-tetrelides A II M 3 IV . A series of ternary Sr and Ba mixed tri-stannides/plumbides A II (Sn 1 − x Pb x ) 3 (A II = Sr, Ba) was synthesized from stoichiometric mixtures of the elements. Their structures were determined by means of single crystal X-ray data. All structures exhibit close packed ordered A M 3 layers containing M kagomé nets. Depending on the stacking sequence, the resulting M polyanion resembles the oxygen substructure of the hexagonal (face-sharing octahedra, h stacking, Ni 3 Sn-type, border compound BaSn 3 ) or the cubic (corner-sharing octahedra, c stacking, Cu 3 Au-type, border compound SrPb 3 ) perovskite. In the binary compound BaSn 3 (Ni 3 Sn-type) up to 28% of Sn can be substituted against Pb (hP8, P 6 3 / mmc, x = 0.28(4): a = 726.12(6), c = 556.51(6) pm, R1 = 0.0264). A further increased lead content of 47 to 66% causes the formation of the BaSn 2.57 Bi 0.43 -type structure with a ( hhhc ) 2 stacking [hP32, P 6 3 / mmc, x = 0.47(3): a = 726.80(3), c = 2235.78(14) pm, R1 = 0.0437]. The stability range of the BaPb 3 -type sequence ( hhc ) 3 starts at a lead proportion of 78% (hR36, R 3 ¯ m, a = 728.77(3), c = 2540.59(15) pm, R1= 0.0660) and reaches up to the pure plumbide BaPb 3 . A second new polymorph of BaPb 3 forms the Mg 3 In-type structure with a further increased amount of cubic sequences [ ( hhcc ) 3 ; hR48, a = 728.7(2), c = 3420.3(10) pm, R1 = 0.0669] and is thus isotypic with the border phase SrSn 3 of the respective strontium series. For the latter, a Pb content of 32% causes a small existence region of the PuAl 3 -type structure [hP24, P 6 3 / mmc, a = 696.97(6), c = 1675.5(2) pm, R1 = 0.1182] with a ( hcc ) 2 stacking. The series is terminated by the pure c stacking of SrPb 3 , the stability range of this structure type starts at 75% Pb (cP4, Pm 3 ¯ m; a = 495.46(9) pm, R1 = 0.0498). The stacking of the close packed layers is evidently determined by the ratio of the atomic radii of the contributing elements. The Sn/Pb distribution inside the polyanion (’coloring’) is likewise determined by size criteria. The electronic stability ranges, which are discussed on the basis of the results of FP-LAPW band structure calculations are compared with the Zintl concept and Wade’s/mno electron counting rules. Still, due to the presence of only partially occupied steep M-p bands the compounds are metals exhibiting pseudo band gaps close to the Fermi level. Thus, this structure family represents an instructive case for the transition from polar ionic/covalent towards (inter)metallic chemistry.

Slow photon amplification of gas-phase ethanol photo-oxidation in titania inverse opal photonic crystals

Here we describe the successful fabrication of six titania inverse opal (TiO2 IO) photocatalysts with fcc[111] pseudo photonic band gaps (PBGs) tuned to span the UV–vis region. Photocatalysts were fabricated by a colloidal crystal templating and sol-gel approach – a robust and highly applicable bottom-up scheme which allowed for precise control over the geometric and optical properties of the TiO2 IO photocatalysts. Optical properties of the TiO2 IO thin films were investigated in detail by UV–vis transmittance and reflectance measurements. The PBG along the fcc[111] direction in the TiO2 IOs was dependent on the inter-planar spacing in the [111] direction, the incident angle of light and the refractive index of the medium filling the macropores in the IOs, in agreement with a modified Bragg’s law expression. Calculated photonic band structures for the photocatalysts revealed a PBG along the Γ→L direction at a/λ∼0.74, in agreement with the experimental optical data. By coupling the low frequency edge of the PBG along the [111] direction with the electronic absorption edge of anatase TiO2, a two-fold enhancement in the rate of gas phase ethanol photo-oxidation in air was achieved. This enhancement appears to be associated with a ‘slow photon’ effect that acts to both enhance TiO2 absorption and inhibit spontaneous emission (i.e. suppress electron-hole pair recombination).

Topologically trivial and nontrivial edge bands in graphene induced by irradiation

We proposed a minimal model to describe the Floquet band structure of two-dimensional materials with light-induced resonant inter-band transition. We applied it to graphene to study the band features caused by the light irradiation. Linearly polarized light induces pseudo gaps (gaps are functions of wavevector), and circularly polarized light causes real gaps on the quasi-energy spectrum. If the polarization of light is linear and along the longitudinal direction of zigzag ribbons, flat edge bands appear in the pseudo gaps, and if it is in the lateral direction of armchair ribbons, curved edge bands can be found. For the circularly polarized cases, edge bands arise and intersect in the gaps of both types of ribbons. The edge bands induced by the circularly polarized light are helical and those by linearly polarized light are topologically trivial ones. The Chern number of the Floquet band, which reflects the number of pairs of helical edge bands in graphene ribbons, can be reduced into the winding number at resonance.

A first-principle study of Os-based compounds: Electronic structure and vibrational properties

The electronic structure, elastic, and phonon properties of OsM (M=Hf, Ti, Y and Zr) compounds are studied using first-principles calculations. Elastic constants of OsY and specific heat capacity of OsM (M=Hf, Ti, Y, and Zr) are reported for the first time. The predicted equilibrium lattice constants are in excellent agreement with experiment. The calculated values of bulk moduli are considerably high but are much smaller than that of Osmium, which is around 400GPa. The phase stability of the OsM (M=Hf, Ti, Y and Zr) compounds were studied by DOS calculations and the results suggest that OsY is unstable in the B2 phase. The brittleness and ductility properties of OsM (M=Hf, Ti, Y and Zr) are determined. OsM (M=Hf, Ti, Y and Zr) compounds are predicted to be ductile materials. The electronic structure and phonon frequency curves of OsM (M=Hf, Ti, Y and Zr) compounds are obtained. The position of Fermi level of these systems was calculated and discussed in terms of the pseudo gaps. The finite and small DOS at the Fermi level 0.335, 0.375, 1.063, and 0.383 electrons/eV for OsHf, OsTi, OsY, and OsZr, respectively, suggest that OsM (M=Hf, Ti, Y and Zr) compounds are weak metals.

Unconventional High-Energy-State Contribution to the Cooper Pairing in the Underdoped Copper-Oxide Superconductor HgBa_{2}Ca_{2}Cu_{3}O_{8+δ}.

We study the temperature-dependent electronic B_{1g} Raman response of a slightly underdoped single crystal HgBa_{2}Ca_{2}Cu_{3}O_{8+δ} with a superconducting critical temperature T_{c}=122 K. Our main finding is that the superconducting pair-breaking peak is associated with a dip on its higher-energy side, disappearing together at T_{c}. This result reveals a key aspect of the unconventional pairing mechanism: spectral weight lost in the dip is transferred to the pair-breaking peak at lower energies. This conclusion is supported by cellular dynamical mean-field theory on the Hubbard model, which is able to reproduce all the main features of the B_{1g} Raman response and explain the peak-dip behavior in terms of a nontrivial relationship between the superconducting gap and the pseudogap.

Elastic-wave transmission through self-similar anisotropic Cantor-like multilayers

Through the study of elastic wave propagation in Cantor-like anisotropic multilayers, this work analyzes the influence of medium geometry on the transmission of elastic waves to yield a better understanding of the connection between topological ordering and physical properties. Cantor-like multilayers, whose homothetic dimension is modified by changing the length of the central segment, are made of one anisotropic material with two orientations. The influence of the combination of self-similarity and anisotropy on the global transmission is investigated by means of iteration order, homothetic dimension and layer orientations. The propagation is described by the stiffness matrix algorithm. The results reveal that the homothetic dimension scales the resonance frequencies and the frequency ranges of the pseudo band gaps, and that layer orientation influences the speed of quasi-transverse waves to enhance the effect of self-similarity. Finally, an extensive study on various frequency ranges is conducted. It is demonstrated that self-similarity may be used to tune the position and the width of the pseudo band gaps to minimize the global acoustic transmission.

First principle investigations of the structural, electronic and magnetic properties of predicted new zirconium based full-Heusler compounds, Zr2MnZ (Z=Al, Ga and In)

The crystal structure, electronic and magnetic properties of predicted new full-Heusler compounds Zr2MnZ (Z=Al, Ga, In) were studied within the density functional theory (DFT) framework. These materials exhibit unique properties that connect the spin gapless semiconducting character with the completely compensated ferrimagnetism. Magnetically ordered Zr2MnZ (Z=Al, Ga, In) compounds crystallize in inverse Heusler structure are stable against decomposition and have zero magnetic moment per formula unit, in agreement with Slater–Pauling rule. The Zr2MnAl compound presents semiconducting properties with an energy band gap of 0.41eV in the majority spin channel and a zero band gap in the minority spin channel. By substituting completely the Al in Zr2MnAl via Ga and In elements, semiconducting pseudo band gaps are formed in the majority spin channels due to different neighborhoods around the manganese atoms, which decreases the energy of Mn triple degenerated anti-bonding states.

Vegetative Rhombic Pattern Formation Driven by Root Suction for an Interaction-Diffusion Plant-Ground Water Model System in an Arid Flat Environment

A rhombic planform nonlinear cross-diffusive instability analysis is applied to a particular interaction-diffusion plant-ground water model system in an arid flat environment. This model contains a plant root suction effect as a cross-diffusion term in the ground water equation. In addition a threshold-dependent paradigm that differs from the usually employed implicit zero-threshold methodology is introduced to interpret stable rhombic patterns. These patterns are driven by root suction since the plant equation does not yield the required positive feedback necessary for the generation of standard Turing-type self-diffusive instabilities. The results of that analysis can be represented by plots in a root suction coefficient versus rainfall rate dimensionless parameter space. From those plots regions corresponding to bare ground and vegetative patterns consisting of isolated patches, rhombic arrays of pseudo spots or gaps separated by an intermediate rectangular state, and homogeneous distributions from low to high density may be identified in this parameter space. Then, a morphological sequence of stable vegetative states is produced upon traversing an experimentally-determined root suction characteristic curve as a function of rainfall through these regions. Finally, that predicted sequence along a rainfall gradient is compared with observational evidence relevant to the occurrence of leopard bush, pearled bush, or labyrinthine tiger bush vegetative patterns, used to motivate an aridity classification scheme, and placed in the context of some recent biological nonlinear pattern formation studies.

Microwave transmission through one-dimensional hybrid quasi-regular (fibonacci and Thue-Morse)/periodic structures

The transmission properties of hybrid quasi-periodic photonic systems (HQPS) made by the combination of one-dimensional periodic photonic crystals (PPCs) and quasi-periodic photonic crystals (QPCs) were theoretically studied. The hybrid quasi-periodic photonic lattice based on the hetero-structures was built from the Fibonacci and Thue-Morse sequences. We addressed the microwave properties of waves through the one-dimensional symmetric Fibonacci, and Thue-Morse system i.e., a quasi-periodic structure was made up of two different dielectric materials (Rogers and air), in the quarter wavelength condition. It shows that controlling the Fibonacci parameters permits to obtain selective optical filters with the narrow passband and polychromatic stop band filters with varied properties which can be controlled as desired. From the results, we presented the self-similar features of the spectra, and we also presented the fractal process through a return map of the transmission coefficients. We extracted powerfully the band gaps of hybrid quasi-periodic multilayered structures, called pseudo band gaps, often containing resonant states, which could be considered as a manifestation of numerous defects distributed along the structure. The results of transmittance spectra showed that the cutoff frequency could be manipulated through the thicknesses of the defects and the type of dielectric layers of the system. Taken together, the above two properties provide favorable conditions for the design of an all-microwave intermediate reflector.

Semiclassical analysis of two-level collective population inversion using photonic crystals in three-dimensional systems

I theoretically demonstrate the population inversion of collective two-level atoms using photonic crystals in three-dimensional (3D) systems by self-consistent solution of the semiclassical Maxwell-Bloch equations. In the semiclassical theory, while electrons are quantized to ground and excited states, electromagnetic fields are treated classically. For control of spontaneous emission and steady-state population inversion of two-level atoms driven by an external laser which is generally considered impossible, large contrasts of electromagnetic local densities of states (EM LDOS’s) are necessary. When a large number of two-level atoms are coherently excited (Dicke model), the above properties can be recaptured by the Maxwell-Bloch equations based on the first-principle calculation. In this paper, I focus on the realistic 1D PC’s with finite structures perpendicular to periodic directions in 3D systems. In such structures, there appear pseudo photonic band gaps (PBG’s) in which light leaks into air regions, unlike complete PBG’s. Nevertheless, these pseudo PBG’s provide large contrasts of EM LDOS’s in the vicinity of the upper photonic band edges. I show that the realistic 1D PC’s in 3D systems enable the control of spontaneous emission and population inversion of collective two-level atoms driven by an external laser. This finding facilitates experimental fabrication and realization.