Positional Disorder Research Articles

Electron transport in one-dimensional disordered lattice

We have studied the peculiarities of electron transport in one-dimensional disordered chain at the presence of correlations between on-site interaction and tunneling integrals. In the considered models, the disorder in host-lattice sites positions is caused by presence of defects, impurities, existence of electron-phonon interaction, etc. It is shown that for certain combination of parameters the localization of electron state inherited by a various of 1D disordered systems disappears, and electron transport becomes possible. The parameters of this transport are established.

Anderson localization of circularly polarized waves in a gyrotropic superlattice with correlated disorder

In this paper, we explore the transmission of circularly polarized electromagnetic waves through one-dimensional random periodic-on-average photonic crystals containing layers of magneto-optical material in Faraday geometry. Driven by evidence that long-range correlations crucially influence wave localization within certain spectral ranges, our study aims to harness these effects for the development of novel electromagnetic wave filters tunable via a dc magnetic field. We base our study on a model of light propagation through a finite array of alternating dielectric layers with random thickness variations and layers of gyrotropic material of equal thickness. Assuming weak positional disorder, we employ analytical and numerical methods to analyze the inverse localization length and assess filter performance. Our results demonstrate that specific correlated disorder introduced into periodic systems can enhance or suppress the transmissivity for a wave of a given frequency in any desired interval of the magneto-optical parameter q. Additionally, we show that the Anderson localization can be resonantly suppressed when the thickness of each gyrotropic layer accommodates an integer number of half-wavelengths.

Temperature-dependent charge transport measurements unveil morphological insights in non-fullerene organic solar cells

The morphological analysis of bulk heterojunction (BHJ) active layer stands as a critical imperative for advancing the performance of future organic solar cells. Conventional characterization tools employed for morphological investigation often require substantial resources, both in cost and physical space, thereby imposing restraints on research endeavors in this domain. Here, we extend the application of charge carrier transport characterization beyond conventional mobility assessments, utilizing it as a table-top method for preliminary morphological screening in organic thin films. The investigation focuses on several high-performance BHJ systems that utilize typical “Y” non-fullerene acceptors. It involves in-depth transport studies, including temperature- and field-dependent transport characterizations. The resulting transport data are analyzed in detail using the Gaussian disorder model to extract key transport parameters, specifically the high-temperature limited mobility (μ∞) and positional disorder (∑). Integrating these transport parameters with morphological insights obtained through various characterization tools—including x-ray scattering, sensitive spectroscopy, and quantum chemistry simulation—provides a deep understanding of the intricate interplay between charge transport properties and morphological characteristics. The results reveal explicit relationships, associating μ∞ with the degree of molecular stacking in BHJs and ∑ with the structural disorder in molecule skeleton. Our findings point to the promising potential of utilizing a simple transport characterization technique for the early stage evaluation of thin film packing and geometric properties of organic materials.

Photon routing in disordered chiral waveguide QED ladders: interplay between photonic localization and collective atomic effects.

In recent years, photon routing has garnered considerable research activity due to its key applications in quantum networking and optical communications. This paper studies the single photon routing scheme in many-emitter disordered chiral waveguide quantum electrodynamics (wQED) ladders. The wQED ladder consists of two one-dimensional lossless waveguides simultaneously and chirally coupled with a chain of dipole-dipole interacting two-level quantum emitters (QEs). In particular, we analyze how a departure from the periodic placement of the QEs due to temperature-induced position disorder can impact the routing probability. This involves analyzing how the interplay between the collective atomic effects originating from the dipole-dipole interaction and disorder in the atomic location leading to single-photon localization can change the routing probabilities. As for some key results, we find that the routing probability exhibits a considerable improvement (more than $90{\% }$ value) for periodic and disordered wQED ladders when considering lattices consisting of twenty QEs. This robustness of collective effects against spontaneous emission loss and weak disorders is further confirmed by examining the routing efficiency and localization length for up to twenty QE chains. These results may find applications in quantum networking and distributed quantum computing under the realistic conditions of imperfect emitter trappings.

Ultra-broadband microwave absorber based on disordered metamaterials.

Metamaterial absorption technology plays an increasingly important role in military and civilian sectors, serving crucial functions in communication, radar technology, and electromagnetic cloaking. However, traditional metamaterial absorbers are predominantly composed of periodic structures, thus limiting their absorption bandwidth, polarization, and angular flexibility. This study employs disordered structures, utilizing their randomness and diversity, to optimize and enhance the performance of periodic structure metamaterial absorbers. Building upon a well-designed periodic perfect absorption structure, a uniform distribution function is introduced to analyze the effects of positional and size disorder on the absorptive properties of the metamaterial. The mechanisms of the disorder are further investigated through simulation analysis. Subsequently, an innovative approach based on disorder engineering for broadband enhancement of metamaterial absorbers is proposed. Numerical simulation results and experimental validations demonstrate that absorbers constructed using this method significantly broaden the absorption bandwidth while maintaining excellent angular and polarization stability. This research not only offers a new method for the design and performance optimization of metamaterial absorbers but also provides a theoretical foundation for the development of metamaterial self-assembly techniques.

Terahertz Signatures of the Methane Replacement Reaction in Hydroquinone Clathrates.

We report a comprehensive experimental and computational study into low-frequency vibrational dynamics of hydroquinone clathrate during in situ gas loading, in order to monitor replacement of carbon dioxide with methane in its atomic-level pores. We used terahertz time-domain spectroscopy, because terahertz modes are highly sensitive to the identity and structure of enclathrated guest molecules. Through ab initio simulations, we determined that the replacement reaction is not completed. Instead we observed the formation of a heterogeneous material, with methane molecules occupying approximately one-third of available adsorption sites. While the structure of the methane-hydroquinone clathrate system has been previously determined, our observations suggest the reported symmetry is incorrect due to methane molecules weakly interacting with the framework, resulting in dynamic (as opposed to positional) disorder of guests, unlike the related fully ordered carbon dioxide clathrate. This work puts us on the path to quantitatively tracking gas loading in porous materials using terahertz spectroscopy.

Photonic topological Anderson insulator in a two-dimensional atomic lattice

Disorder in atomic positions can induce a topologically nontrivial phase - topological Anderson insulator (TAI) - for transverse electric optical quasimodes of a two-dimensional honeycomb lattice of immobile atoms. TAI requires both time-reversal and inversion symmetries to be broken to similar extents. It is characterized by a nonzero topological invariant, a reduced density of states and spatially localized quasimodes in the bulk, as well as propagating edge states. A transition from TAI to the topological insulator (TI) phase can take place at a constant value of the topological invariant, showing that TAI and TI represent the same topological phase.

A Fluorinated Chaperone Gives X‐ray Crystal Structures of Acyclic Natural Product Derivatives up to 338 Molecular Weight

AbstractCrystallizing molecules with long flexible chains is a challenge, making it difficult to perform X‐ray crystallography. Chaperones can assist in the crystallization of compounds that do not crystallize by themselves by producing solvate crystals that contain the analyte in their three‐dimensional lattices. Among the most versatile chaperones for liquid analytes are tetraaryladamantanes (TAAs), but the size of the compounds that can be encapsulated is limited, and attempts to surpass this limit with known TAAs were unsuccessful. Here we report that 1,3,5,7‐tetrakis(2‐fluoro‐4‐methoxyphenyl)adamantane (TFM) is a crystallization chaperone for acyclic molecules up to the molecular weight of phytyl acetate (338 g/mol). Encapsulation of such a large acyclic compound was achieved when the analyte was esterified and when a two‐step temperature protocol was used for crystallization. Exploratory work indicates that a drop to −20 °C allows for encapsulation of squalene (Mr 411 g/mol), albeit with positional disorder of the analyte. Our X‐ray crystal structures of solvates with flexible analytes shed light on how crystalline order can be imposed on large acyclic analytes. The new, fluorinated TAA gives access to crystal structures that were inaccessible thus far.

A Fluorinated Chaperone Gives X-ray Crystal Structures of Acyclic Natural Product Derivatives up to 338 Molecular Weight.

Crystallizing molecules with long flexible chains is a challenge, making it difficult to perform X-ray crystallography. Chaperones can assist in the crystallization of compounds that do not crystallize by themselves by producing solvate crystals that contain the analyte in their three-dimensional lattices. Among the most versatile chaperones for liquid analytes are tetraaryladamantanes (TAAs), but the size of the compounds that can be encapsulated is limited, and attempts to surpass this limit with known TAAs were unsuccessful. Here we report that 1,3,5,7-tetrakis(2-fluoro-4-methoxyphenyl)adamantane (TFM) is a crystallization chaperone for acyclic molecules up to the molecular weight of phytyl acetate (338 g/mol). Encapsulation of such a large acyclic compound was achieved when the analyte was esterified and when a two-step temperature protocol was used for crystallization. Exploratory work indicates that a drop to -20 °C allows for encapsulation of squalene (Mr 411 g/mol), albeit with positional disorder of the analyte. Our X-ray crystal structures of solvates with flexible analytes shed light on how crystalline order can be imposed on large acyclic analytes. The new, fluorinated TAA gives access to crystal structures that were inaccessible thus far.

Coupling between cation and anion disorder in β-K2Ca3(CO3)4

Since the development of anionic group theory, the spatial arrangement of anionic groups in optical crystals has been believed to determine their functional, such as nonlinear optical, properties. At the same time, cation substitution, resulting in either the appearance of disordered cation sites in a crystal structure or the emergence of cation-ordered superstructures, has been widely used to control material properties. This work demonstrates the coupling between positional cation disorder and orientational disorder of (CO3)2− anions in the β modification of the recently described K2Ca3(CO3)4 material. In contrast to the α modification [P212121, a = 7.39134 (18), b = 8.8153 (2), c = 16.4803 (4) Å], where the ordered cation sublattice favors the non-centrosymmetric orientationally ordered arrangement of (CO3)2− anionic groups, positional cation disorder in β-K2Ca3(CO3)4 [Pnma, a = 7.5371 (2), b = 16.1777 (5), c = 8.7793 (3) Å] within the cation sublattice of the same topology leads to orientational disorder of (CO3)2− groups and the appearance of an inversion center in the average structure.

Flow interactions lead to self-organized flight formations disrupted by self-amplifying waves

Collectively locomoting animals are often viewed as analogous to states of matter in that group-level phenomena emerge from individual-level interactions. Applying this framework to fish schools and bird flocks must account for visco-inertial flows as mediators of the physical interactions. Motivated by linear flight formations, here we show that pairwise flow interactions tend to promote crystalline or lattice-like arrangements, but such order is disrupted by unstably growing positional waves. Using robotic experiments on “mock flocks” of flapping wings in forward flight, we find that followers tend to lock into position behind a leader, but larger groups display flow-induced oscillatory modes – “flonons” – that grow in amplitude down the group and cause collisions. Force measurements and applied perturbations inform a wake interaction model that explains the self-ordering as mediated by spring-like forces and the self-amplification of disturbances as a resonance cascade. We further show that larger groups may be stabilized by introducing variability among individuals, which induces positional disorder while suppressing flonon amplification. These results derive from generic features including locomotor-flow phasing and nonreciprocal interactions with memory, and hence these phenomena may arise more generally in macroscale, flow-mediated collectives.

Tolerance and breakdown of topological protection in a disordered waveguide

We consider a disordered waveguide consisting of trivial dielectric and non-trivial magnetically anisotropic material. A topologically protected edge mode appears owing to the broken time-reversal symmetry of the non-trivial lattice. While the edge mode maintains under other position and radius disorders, the protection is immediately broken by applying a radius disorder to the non-trivial lattice. This breakdown originates from donor and acceptor modes occupying the topological bandgap. Furthermore, via the calculation of the Bott index, we show that Anderson localization occurs as a metal conducting gap changes to a topological gap along with increasing disorders.

Effects of positional disorder upon the nonlocal effective parameters of a metamaterial composed of coated spheres

An electromagnetic characterization of a bianisotropic medium based on nonlocal homogenization theory with small positional disorders has been presented. The proposed theory is general and can be used for any type of random positional disorders provided that the probability density functions associated with these positional disorders are known. Later, the proposed general theory was used for a nonlocal metamaterial composed of coated spheres with Gaussian types of positional disorder in the microwave and infrared range of frequencies. It is studied that by increasing the positional disorder, the epsilon negative, mu negative and double negative bandwidths of a metamaterial reduce and even vanish for some special cases. It is found that the bandwidths of absorption peaks associated with the imaginary parts of effective permittivity and effective permeability become wider with the increase in positional disorder. It is also concluded that magnetoelectric coupling arising due to lattice effects become almost negligible for the relatively large positional disorder for a weak nonlocal or spatially dispersive metamaterial. The proposed findings are helpful in the designing of nonlocal disordered metamaterials.

Anti‐Reflective Graded‐Index Metasurface with Correlated Disorder for Light Management in Planar Silicon Solar Cells

AbstractRecently, many research efforts have been dedicated to improving light coupling into solar cells and reducing optical losses. Promising candidates regarding scalability include direct nano‐structuring of the absorber layer, anti‐reflective (AR) coatings, or combining both, e.g., pyramidal textures with a conformal coating. However, many of these methods are either insufficient or infeasible for application in thin solar cells. Moreover, approaches based on directly texturing the silicon interface simultaneously strongly increase surface recombination, thus degrading the electronic properties of the solar cell. To circumvent these issues, conformal graded‐index metasurfaces with a correlated positional disorder for light trapping in solar cells are proposed and experimentally demonstrated in this contribution. When considered as a part of a prototypical solar cell geometry, a broadband reduction in reflection is observed that results in photocurrent enhancement. The combined consideration of disorder and conformal graded‐index layers outperforms structures containing only one of these components. The computational guidance toward optimized designs promises to adjust the framework to other settings. The possibility for large‐scale fabrication of the samples paves the way toward a future generation of supporting photonic structures in solar cells.

Magnetic ordering in strong anisotropic ferromagnetic bilayers with dipolar and antiferromagnetic interlayer exchange interactions: Monte Carlo approach.

In this work, multilayer films consisting of two strong-anisotropic ferromagnetic layers antiferromagnetically coupled by a nonmagnetic spacer are studied by Monte Carlo simulations. The system is modeled by an Ising-based Hamiltonian that depends on both the intralayer exchange and dipolar constants and on the interlayer exchange constant (IEC). The ground state of the monolayers (null IEC) corresponds to alternate stripe domains with width h defined by the ratio between the exchange and dipolar constants (δ). The results show that IEC alters the energy balance that controls the stripe domain formation, leading to a ground state characterized by in-plane stripes out-plane antiferromagnetically coupled. When temperature increases two regimes are identified: an IEC-dominated regime where the orientational and positional orders are simultaneously lost in both layers, driving the system to the tetragonal liquid (TL) phase, and a dipolar-dominated one where signs of layers decoupling and the onset of positional disorder are observed. The last could be related with an intermediate nematic phase (NM). From the study of the nonequilibrium dynamics, the phase transitions to TL phase are characterized as continuous and those to the NM one as Kosterlitz-Thouless type. Also, for both layers the critical temperatures are the same and increase with IEC magnitude. Furthermore, the obtained critical exponents depend on the IEC values, which is indicative of a weak universality. For the dipolar-dominated regime, the decoupling between layers is also evidenced by the difference between their critical exponents.

Induced Absolute Configuration of Achiral Tetradentate Ligands in Metal–Organic Frameworks for Circularly Polarized Luminescence

Comprehensive SummaryThe crystallization of chiral molecules is of great significance to understand the origin and evolution of hierarchical chirality and reveal the relationships between structural chirality and circularly polarized luminescence (CPL) activity. Here, we report two pairs of chiral metal–organic frameworks (MOFs) (DCF‐17/LCF‐17, DCF‐18/LCF‐18) by utilizing tetradentate ligands tetra(3‐imidazoylphenyl)ethylene (TIPE) and 4,4'‐[4',5'‐bis[4‐(4‐pyridinyl)phenyl][1,1':2',1”‐terphenyl]‐4,4”‐diyl]bis[pyridine] (TPPP) as linkers. It can be observed that the spontaneous resolution of the achiral ligands is converted into the induced resolution, and the ligands form the absolute configuration by using enantiopure camphoric acid (cam) as chiral induced reagent (CIR). As a result, the racemate MOFs can be driven to generate absolute homochiral crystallization. Another two achiral MOFs [Cd(D‐cam)(TPPP)0.5] (AF‐1, AF = achiral framework) and [Cd(L‐cam)(TPPP)0.5] (AF‐2) were prepared. The position disorder of D/L‐cam skeleton causes the generation of nonchiralization, further leading to disappearance of symmetry breaking of TPPP. For the perspective of structure, this is the first report which reveals the chiral transfer and nonchiralization between chiral induced agents and tetradentate ligands. Besides, DCF‐17 and LCF‐17 show CPL with luminescence dissymmetry factor (glum) of –1.0 × 10‐2 and +9.2 × 10–3, respectively. This work provides the useful evidences to reveal the induced chiral crystallization and the construction of CPL‐active crystalline materials.

Quasilocalized modes in crystalline and partially crystalline high-entropy alloys

High entropy alloys (HEAs) are designed by mixing multiple metallic species in nearly the same amount to obtain crystalline or amorphous materials with exceptional mechanical properties. Here we use molecular dynamics simulations to investigate the role of positional and compositional disorder in determining the low-frequency vibrational properties of CrMnFeCoNi HEAs with a varying degree of amorphous order. Our results show that the expected dependence of the density of states on the frequency as D(ω)∼ω4 is recovered for amorphous HEAs and is also observed for partially crystallized alloys with deviations that depend on the degree of crystallization. We find that the quasilocalized vibrations are still visible in crystalline HEAs, albeit suppressed compared to the corresponding amorphous alloys. Our work offers a unified perspective to describe HEA mechanical properties in terms of their vibrational density of states. Published by the American Physical Society 2024

Localization of light in three dimensions: A mobility edge in the imaginary axis in non-Hermitian Hamiltonians

Searching for Anderson localization of light in three dimensions has challenged experimental and theoretical research for the last decades. Here the problem is analyzed through large-scale numerical simulations, using a radiative Hamiltonian, i.e., a non-Hermitian long-range hopping Hamiltonian, well suited to model light-matter interaction in cold atomic clouds. Light interaction in atomic clouds is considered in the presence of positional and diagonal disorder. Due to the interplay of disorder and cooperative effects (sub- and super-radiance) a novel type of localization transition is shown to emerge, differing in several aspects from standard localization transitions which occur along the real energy axis. The localization transition discussed here is characterized by a mobility edge along the imaginary energy axis of the eigenvalues which is mostly independent of the real energy value of the eigenmodes. Differently from usual mobility edges it separates extended states from hybrid localized states and it manifests itself in the large moments of the participation ratio of the eigenstates. Our prediction of a mobility edge in the imaginary axis, i.e., depending on the eigenmode lifetime, paves the way to achieve control both in the time and space domains of open quantum systems.

Crystal structures of two formamidinium hexa-fluorido-phosphate salts, one with batch-dependent disorder.

Syntheses of the acyclic amidinium salts, morpholino-formamidinium hexa-fluorido-phosphate [OC4H8N-CH=NH2]PF6 or C5H11N2O+·PF6 -, 1, and pyrrolidinoformamidinium hexa-fluorido-phosphate [C4H8N-CH= NH2]PF6 or C5H11N2 +·PF6 -, 2, were carried out by heating either morpholine or pyrrolidine with triethyl orthoformate and ammonium hexa-fluorido-phosphate. Crystals of 1 obtained directly from the reaction mixture contain one cation and one anion in the asymmetric unit. The structure involves cations linked in chains parallel to the b axis by N-H⋯O hydrogen bonds in space group Pbca, with glide-related chains pointing in opposite directions. Crystals of 1 obtained by recrystallization from ethanol, however, showed a similar unit cell and the same basic structure, but unexpectedly, there was positional disorder [occupancy ratio 0.639 (4):0.361 (4)] in one of the cation chains, which lowered the crystal symmetry to the non-centrosymmetric space group Pca21, with two cations and anions in the asymmetric unit. In the pyrrolidino compound, 2, cations and anions are ordered and are stacked separately, with zigzag N-H⋯F hydrogen-bonding between stacks, forming ribbons parallel to (101), extended along the b-axis direction. Slight differences in the delocalized C=N distances between the two cations may reflect the inductive effect of the oxygen atom in the morpholino compound.

Corelation Between Driving Position and Other Factor to Musculoskeletal Complaints with Reba in Online Taxibike Drivers in West Jakarta 2021

Poor posture is the main cause of Musculoskeletal Disorders, MSDs in motorcyclists can affect daily activities, reduce work efficiency and productivity, increase the risk of work accidents and long-term illness. This study aims to determine whether there is a relationship between driving position and musculoskeletal disorders with the Rapid Entire Body Assessment hoping that the complaints can be minimized or prevented. Research data collection took place in December 2021. Research participants were online taxibike drivers in West Jakarta who were still actively working in 2021. Demographic data and riding position were obtained through the Nordic Body Map questionnaire and online questionnaire via Google Form. For the riding position, respondents were asked to ride the motorbike they used for work and were photographed by the researcher, and calculated using the REBA calculator software. The statistical test showed a value of P: 0.682 (p> 0.05) which indicated that there was no significant relationship between riding position and musculoskeletal complaints among online motorcycle drivers in West Jakarta in 2021. Even though there was no relationship between riding position and musculoskeletal complaints, to reduce the increased risk of MSDs, riders can make the best use of their rest time outside of work hours or before work by doing small sports or stretching to stretch tense muscles and reduce the accumulation of lactic acid.