Academic literature on the topic 'Dimensionality and ordering'

We studied magnetic orderings, phase transitions, and frustrations in the Ising, 3-state Potts and standard 4-state Potts models on 1D, 2D, and 3D lattices: linear chain, square, triangular, kagome, honeycomb, and body-centered cubic. The main challenge was to find out the causes of frustrations phenomena and those features that distinguish frustrated system from not frustrated ones. The spins may interrelate with one another via the nearest-neighbor, the next-nearest-neighbor or higher-neighbor exchange interactions and via an external magnetic field that may be either competing or not. For problem solving we mainly calculated the entropy and specific heat using the rigorous analytical solutions for Kramers-Wannier transfer-matrix and exploiting computer simulation, par excellence, by Wang-Landau algorithm. Whether a system is ordered or frustrated is depend on the signs and values of exchange interactions. An external magnetic field may both favor the ordering of a system and create frustrations. With the help of calculations of the entropy, the specific heat and magnetic parameters, we obtained the points and ranges of frustrations, the frustration fields and the phase transition points. The results obtained also show that the same exchange interactions my either be competing or noncompeting which depends on the specific model and the lattice topology.

Drawing from exact, approximate and numerical results an overview of the properties of the out of equilibrium response function in phase ordering kinetics is presented. Focusing on the zero field cooled magnetization, emphasis is on those features of this quantity which display non trivial behavior when relaxation proceeds by coarsening. Prominent among these is the dimensionality dependence of the scaling exponent aχ which leads to failure of the connection between static and dynamic properties at the lower dimensionality dL, where aχ=0. We also analyse the mean spherical model as an explicit example of a stochastic unstable system, for which the connection between statics and dynamics fails at all dimensionalities.

We report measurements of magnetization, magnetoresistance and ESR on systems with the 3-D and layered structures, to study the effect of reduced dimensionality. Compositions of the systems Pr 0.7 Sr 0.3- x Ca x MnO 3 and La 2-2 y Sr 1+2 y Mn 2- z Cr z O 7 were synthesized, which have the 3D and quasi-2D structures, respectively. The magnetic and transport properties are markedly affected by the reduction in dimensionality. Large values of magnetoresistance have been observed in the layered materials even at low temperature, in contrast with the behavior of the 3D compositions. ESR measurements on the Pr 0.7 Sr 0.3- x Ca x MnO 3 system show a single resonance line in the temperature range of our study. However, compositions of the La 2-2 y Sr 1+2 y Mn 2 O 7 system with y =0.3, 0.4 and 0.5 show a complex behavior. As the samples are cooled, a single resonance line is first observed, which can be described by a Lorentzian. Below ~2 T c, for compositions with y =0.3 and 0.4, a complex lineshape evolves, which can be resolved into two Gaussian lines. This crossover in the lineshape indicates a transition from a homogeneous to an inhomogeneous spin system, which can be attributed to the nature of the ferromagnetic ordering between the bilayers. The composition with y =0.5 shows a different behavior, which might be due to the antiferroma.gnetic ordering exhibited by this composition. A detailed analysis of the experiments is presented.

In the light of recent studies, we summarize our present theoretical understanding of insulating oxides in low dimensionality, including unsupported clusters, planar or stepped surfaces and ultrathin films. We review the various theoretical approaches, their efficiency in calculating ground and excited state properties, and their applications to the present systems. We discuss the forces at work which determine the atomic structure around under-coordinated atoms (equilibrium geometries of very small clusters, bond lengths, relaxation and rumpling at surfaces), the energetics associated with low dimensionality (surface energies and mean cohesion energy in clusters), the electronic properties, such as electron distribution, magnetic interactions and ordering, and electronic excitations (ionization potentials, electron affinity, quasiparticle spectra, d → d and charge transfer excitations).

We have studied the scaling evolution of the structure and magnetic properties of the melt-spun Fe70Cr15B15(Sn) alloys. The magnetic percolation cluster about the percolation threshold forms at the vitrification stage that is determined by both the kinetics of magnetic and of transport properties and the variation of fractal dimensionality. Alloying by tin of contact surface of ribbon decreases the temperature of the cluster formation. It is shown that the evolution of a fractal ordering affects the kinetics of the physical properties of the alloys. The spectra of fractal dimensionality identify the symmetry character of melt-spun alloys. Fractal dimensionDfis reduced at the increasing complexity of hierarchical system.

We have studied the effects of a magnetic field on the magnetism and transport properties of the layered manganites R1/2Sr3/2MnO4 (R = La and Nd) in pulsed magnetic fields up to 40 T. The R = La crystal shows metamagnetic-like transitions above 30 T, concomitantly with a colossal magnetoresistance (CMR) effect as large as [ρ(0) - ρ(H)]/ρ(H) > 103 with a field of µοH = 38 T at low temperatures. These transitions can be ascribed to the field-induced melting of the real-space ordering of the eg electrons (charge ordering). For the R = Nd crystal, a magnetic field along the c-axis enhances the two-dimensionality in the conductivity. Moreover, we observed metamagnetic-like transitions accompanied by the CMR effects at low temperatures, in spite of the absence of charge ordering.

Cell dynamical study of phase ordering dynamics is presented for vector order-parameter systems without singular defects. The structure factor satisfies the scaling relation; S (k, t) = l (t)2 g(kl(t)), whose tail at kl ≫ 1 is characterized by a single power as g (x) ~ x −χ. The exponent χ is larger than an analytical value χ = d + n where n and d are the dimensionality of order-parameter and space respectively. The characteristic length varies as l (t) ~ t0.5 for n ≥ 4 while the growth for n = 3 is slower than that.

The electronic and topological properties of materials are derived from the interplay between crystalline symmetry and dimensionality. Simultaneously introducing “forbidden” symmetries via quasiperiodic ordering with low dimensionality into a material system promises the emergence of new physical phenomena. Here, we isolate a two-dimensional (2D) chalcogenide quasicrystal and approximant, and investigate their electronic and topological properties. The 2D layers of the materials with a composition close to Ta1.6Te, derived from a layered transition metal dichalcogenide, are isolated with standard exfoliation techniques, and investigated with electron diffraction and atomic resolution scanning transmission electron microscopy. Density functional theory calculations and symmetry analysis of the large unit cell crystalline approximant of the quasicrystal, Ta21Te13, reveal the presence of symmetry-protected nodal crossings in the quasicrystalline and approximant phases, whose presence is tunable by layer number. Our study provides a platform for the exploration of physics in quasicrystalline, low-dimensional materials and the interconnected nature of topology, dimensionality, and symmetry in electronic systems.

The magnetic behaviour of thin films of (111) FCC structures and (0001) corundum structured materials were studied by the mean field analysis and some Monte Carlo simulation. These models were conditioned on a mapping from first principles calculations to the Ising model. The effect of the suggested octopolar reconstruction for the polar (111) surfaces of FCC was also examined.

2011/2012
Nel vasto scenario dei materiali fortemente correlati gli ossidi dei metalli di transizione hanno attratto enorme interesse a causa delle loro interessanti proprietà fisiche, come ad esempio, la superconduttività nei cuprati e la magnetoresistenza gigante nelle manganiti. In particolare, il mio interesse è stato rivolto ad una specifica classe di materiali, per i quali la dimensionalità è il parametro più importante. Le attività sperimentali sono state focalizzate verso due sistemi: la manganite Pr0.5Ca1.5MnO4 dopata a metà e a strato singolo (hd-PCMO) e la famiglia dei rutenati Srn+1RunO3n+1 (n=1,2,3). Entrambi questi sistemi esibiscono fenomeni affascinanti strettamente legati ad una complicata interazione tra i gradi di libertà del reticolo cristallino, di spin, di carica, ed orbitale, dove la dimensionalità cristallina gioca un ruolo cruciale. Con il mio progetto di dottorato ho studiato alcune proprietà dei materiali sopracitati per mezzo di spettroscopie con raggi X, come l’emissione risonante di raggi X (RXES) e l’assorbimento di raggi X (XAS) statico e risolto in tempo. Tutte le misure sono state condotte utilizzando la linea di luce BACH (linea di luce per dicroismo avanzato) dell’anello di accumulazione Elettra della Elettra-Sincrotrone Trieste. Il sistema hd-PCMO presenta una transizione di ordinamento di carica ed orbitale (CO-O) ad una temperatura TCO relativamente elevate, i.e. 340 K, accompagnata da una distorsione strutturale ortorombica, dove i portatori di carica fortemente correlati eg del Mn si ordinano in sotto-reticoli cristallografici separati (stato di carica ordinato) con un carattere orbitale specifico (stato di ordinamento orbitale). Inoltre, hd-PCMO presenta anche una risposta reticolare anomala ad una temperatura 20 K sopra la temperatura di Neél TN, che è associata ad un inatteso accoppiamento spin-reticolo. Poiché mancava uno studio degli stati elettronici non occupati del PCMO, misure dipendenti dalla temperatura per mezzo del dicroismo lineare (XLD) sono state realizzate alle soglie K dell’ossigeno e L3 del Mn al fine di spiegare il ruolo della topologia orbitale dei Mn 3d – O 2p. I dati sperimentali, supportati da calcoli ab-initio LDA+U, ci danno informazioni sulla ridistribuzione di carica e sui cambiamenti delle p-DOS alla transizione CO-O e a quella antiferromagnetica (AFM). I risultati ottenuti mostrano che l’interazione competitiva tra la distorsione locale atomica, necessaria per permettere l’ordinamento CO, e le dinamiche di carica del meccanismo di hopping regolano lo stato orbitale dei portatori di carica. Inoltre, sulla base di studi teorici che predicono la formazione di fasi orbitali e strutturali transienti “nascoste” per mezzo della stimolazione ottica, abbiamo studiato le DOS non occupate dello stato metastabile indotto otticamente nel PCMO per mezzo della XAS risolta in tempo, che offre uno strumento unico per misurare le DOS proiettate in sito ed in simmetria degli stati metastabili della materia. Le misure XAS risolte in tempo alla soglia K dell’ossigeno sono state realizzate per mezzo di un nuovo apparato sperimentale disponibile a BACH, che si basa su un laser Ti:zaffiro (impulsi di pompa) con tasso di ripetizione variabile sincronizzato con gli impulsi a 500 MHz dei raggi X (impulsi di sonda). L’evoluzione temporale degli spettri XAS attraverso la transizione CO-O fotoindotta otticamente risulta differente rispetto alle misure XAS adiabatiche, dimostrando l’esistenza di una “fase nascosta” fotoindotta nel PCMO, la cui natura è ancora sconosciuta. I rutenati Srn+1RunO3n+1 (n=1,2,3) sono emersi come una famiglia importante di peroschiti a causa dell’evoluzione inattesa e senza precedenti dal comportamento anisotropico ferro- o metamagnetico del Sr4Ru3O10 (n=3) dipendente dalla direzione del campo magnetico, all’ aumentato paramagnetismo di Pauli vicino all’ordinamento magnetico del Sr3Ru2O7 (n=2) e, infine, alla superconduttività a bassa temperature in Sr2RuO4 (n=1). Nonostante vengano riportati numerosi studi sulle proprietà strutturali e magnetiche di questi composti, l’evoluzione delle strutture elettroniche occupate e non occupate non è stata investigata in dettaglio. Quindi, la dipendenza delle strutture elettroniche e l’ibridizzazione degli stati 2p dell’ossigeno sono state investigate combinando la spettroscopia XAS alla soglia K dell’ossigeno (transizione 2p-1s) dipendente dalla polarizzazione e la spettroscopia RXES. Una sezione del capitolo 3 è dedicata ad illustrare un setup sperimentale sviluppato recentemente per esperimenti XAS risolti in tempo sfruttando la struttura temporale “multibunch” dell’anello di accumulazione del sincrotrone. Sfruttando le potenzialità di questo setup, la transizione di superficie semiconduttore-metallo nel germanio cristallino è stata fotoindotta ed il set completo di dati viene discusso. Lo schema della mia tesi di dottorato è il seguente. Il primo capitolo presenta una panoramica dell’intero lavoro. Il secondo capitolo è diviso in due sezioni. La prima sezione introduce il lettore alla fisica orbitale ed alle transizioni di fase elettroniche nei metalli di transizione a ridotta dimensionalità, con un excursus sullo stato dell’arte dei composti 3d del manganese e la famiglia 4d dei rutenati. L’intento della seconda sezione è quello di spiegare l’importanza delle tecniche spettroscopiche nei raggi X molli come strumenti per investigare le proprietà elettroniche dei solidi. La descrizione delle spettroscopie XAS e RXES vengono riviste più in dettaglio nel capitolo 3, che include anche la descrizione dell’apparato sperimentale della beamline BACH e del laboratorio T-ReX al Sincrotrone Elettra. Il capitolo 4 è dedicato alla teoria funzionale di densità (DFT) ed alla approssimazione locale di densità più U (LDA+U) ed ai dettagli del modello del sistema hd-PCMO. Il capitolo 5, che presenta i casi studiati, è diviso in due sezioni: il caso del PCMO, che include le misure XAS statiche e risolte in tempo, ed il caso della serie Ruddlesden-Popper dei rutenati di Sr investigate per mezzo della RXES. Nel capitolo finale vengono presentati i commenti finali su questo lavoro.
In the vast scenario of strongly correlated-electron materials transition-metal oxides have attracted enormous interest because of their interesting physical properties, including for example, superconductivity in cuprates and colossal magnetoresistance in manganites. In particular, my interest was directed to a particular class of materials, whose dimensionality is the most defining material parameter. With my Ph.D. project I deepened into some physical properties of these materials by means of core-levels spectroscopies such as resonant x ray emission (RXES) and static and time-resolved x ray absorption (XAS). All the measurements have been carried out at the beamline BACH (Beamline for Advanced diCHroism) at the Elettra light source facility in Trieste. The experimental activities focused on two case-study systems: the single layered half-doped Pr0.5Ca1.5MnO4 (hd-PCMO) and the layered Srn+1RunO3n+1 (n=1,2,3) family. Both these systems exhibit fascinating phenomena intimately related to a complicated interplay between the crystal lattice, spin, charge, and orbital degrees of freedom, where crystal dimensionality plays a crucial role. hd-PCMO exhibits a charge-orbital ordering (CO-O) transition at a remarkably high TCO, slightly above room temperature, accompanied by an orthorhombic structural distortion, where the strongly correlated Mn eg charge carriers order onto separate crystallographic sub-lattices (charge-ordered state) with a specific orbital character (orbital ordered state). Furthermore, hd-PCMO also displays an anomalous lattice response at temperatures 20K above the Neél temperature TN, which is associated to an unexpected spin-lattice coupling. Since a study of the PCMO unoccupied electronic states was lacking, temperature dependence measurements by XAS linear dichroism (XLD) have been performed at the O-K and Mn-L3 thresholds in order to elucidate the role of Mn 3d - O 2p orbital topology. The experimental data, supported by ab-initio LDA+U, shed light on the charge redistribution and p-DOS changes at the CO-O and antiferromagnetic (AFM) transitions. The results obtained show that the competitive interplay between the local atomic distortion, necessary for accomodating the CO-ordering, and the charge dynamics of the hopping mechanism regulates the orbital state of the charge carriers. Furthermore, on the basis of theoretical studies that predict the formation of transient “hidden” orbital and structural phases by optical stimulation, we have studied the unoccupied DOS of the optically induced metastable state in PCMO by means of time resolved XAS, which offers a unique tool to measure site and symmetry projected DOS of metastable states in matter. Tr-XAS measurements at the O-K edge have been carried out by means of a novel experimental apparatus available at BACH, which is based on a variable repetition rate Ti:sapphire laser (pump pulse) synchronized with the ∼ 500 MHz X-ray photon pulses (probe pulses). The time evolution of the XAS lineshapes across the optically photoinduced CO-O transition results different respect to the adiabatic XAS measurements, demonstrating the existence of a photoinduced “hidden phase” in PCMO, whose nature is still unknown. The layered Srn+1RunO3n+1 (n=1,2,3) have emerged as an important family of perovskites because of the unexpected and unprecedented evolution from anisotropic ferro- or metamagnetic behavior of Sr4Ru3O10 (n=3) dependent on the direction of the magnetic field, enhanced Pauli paramagnetism close to magnetic order of Sr3Ru2O7 (n=2) and, finally, to low-temperature superconductivity in Sr2RuO4 (n=1). Although numerous studies have been reported on the structural and magnetic properties of these compounds, the evolution of the occupied and unoccupied electronic structures were not investigated in detail. Thus, the dependence of electronic structures and the hybridization of O 2p states have been investigated by combining polarization dependent O K (2p-1s transition) XAS and RXES spectroscopies. A section of the chapter 3 is dedicated to illustrate a newly developed experimental setup for time-resolved XAS experiments by exploiting the multibunch time structure of a synchrotron storage ring. By exploiting the capabilities of this setup, the surface semiconductor-metal transition in crystalline germanium has been photoinduced and the complete set of data discussed. The outline of my Ph.D. thesis is the following. The first chapter presents an overview of the entire work. The second chapter is divided into two sections. The first section introduces the reader into the orbital physics and the electronic phase transitions in low dimensional transition metal oxides, with an excursus on the state of the art of 3d manganese compounds and the family of 4d Ruthenates. The second section is aimed to explain the importance of soft x-ray spectroscopic techniques as tools to investigate the electronic properties of solids. The description of XAS and RXES are reviewed in more details in chapter 3, which includes also the description of the experimental apparatus of BACH beamline and T-ReX lab at the Elettra synchrotron light source. Chapter 4 is dedicated to the Density Functional Theory (DFT) and Local Density Approximation plus U (LDA+U) theories and to the details of the modelling of the hd-PCMO system. Chapter 5, which presents the cases studied, is divided into two sections: the case of PCMO, including static and time resolved XAS measurements, and the case of Ruddlesden-Popper series of Sr Ruthenates investigated by means of RXES. In the final chapter the concluding remarks on this work are presented.
XXV Ciclo
1983

Temperature dependent magnetization measurements were conducted on Fe-based heterostructures. A linear increase of the magnetic critical temperature with increasing Fe thickness was found for Fe/V superlattices with strong interlayer exchange coupling. For weakly coupled Fe/V superlattices anomalous values of the critical exponent β were attributed to differences in the effective interlayer exchange coupling in the surface region and in the interior of the superlattice stack. Hydrogen loading of a sample containing a thin Fe film, up to a maximum pressure of 4 mbar gave an increase of the magnetic critical temperature of ≈21 K. A sample with a double layer of Fe, exchange coupled over V, showed oscillations in the critical temperature when loaded to increasing pressure of hydrogen. The oscillations in the critical temperature indicate the presence of quasi-2D phases. Superlattices of Fe and V were investigated by x-ray magnetic circular dichroism. It was found that the orbital magnetic moment shows the same trend as the magnetic anisotropy energy with thickness of the Fe layers. A model which takes into account a varying strain and interface density successfully described the changes in the orbital magnetic moment. The magnetization was measured as a function of temperature for a series of magnetically δ-doped Pd samples. A thin film of Fe induced a magnetic moment in surrounding Pd layers, leading to a magnetic thickness one order of magnitude larger than the thickness of the Fe film. A crossover in the magnetic spatial dimensionality was found as the thickness of the Fe film increased from ≈0.4 monolayers to ≈1 monolayer. First principle calculations of the magnetization profile together with a spin wave quantum well model were used to explain the dimensionality crossover by an increase in the available thermal energy for population of perpendicular spin wave modes.

Graphite intercalation compounds (GICs) have unique layered structures where intercalate layers are arranged periodically between graphite layers. This phenomenon is known as staging, and the number of graphite layers between adjacent intercalate layers is known as the stage number n. As the stage number n increases, the separation between adjacent intercalate layers becomes larger. So the interlayer interactions between intercalate layers become weak, leading to a crossover of dimensionality from three-dimensional (3D) to two-dimensional (2D). Because of their intrinsic anisotropy, GICs exhibit a great variety of structural orderings such as staging, in-plane ordering of intercalate layers, and stacking ordering of both graphite and intercalate layers. The stable stage and in-plane ordering of the intercalate layers depend on the relative strength of the intercalate-graphite interaction to the intercalate-intercalate interaction. At low temperatures the intercalate layers form a variety of 2D superlattices resulting from the competing interactions. At elevated temperatures the superlattice undergoes a transition to a 2D liquid. The migration of intercalate atoms is restricted to the 2D gallery between graphite layers. The critical temperature below which the stacking order appears is equal to or lower than the critical temperature below which the in-plane order appears. In this chapter, we review the subject of structures, phase transitions, and kinetics for donor and acceptor GICs. The subject matter of this chapter is organized as follows. Section 3.1 deals with the general structural characteristics of GICs. Sections 3.2 and 3.3 are respectively devoted to descriptions of liquid state and phase transitions of stage-2 alkali metal GICs. Section 3.4 deals with the discommensuration domain model for high-stage alkali metal GICs. Sections 3.5 and 3.6 are devoted to descriptions of liquid-solid transitions in stage-1 K and Rb GIC. In Sections 3.7-3.9, we describe the stage transition, Kirczenow’s model, Hendricks-Teller-type stage disorder, and fractional stage. In Sections 3.10 and 3.11 we describe the phase transitions of acceptor-type GICs (Br2 GIC and SbCl5 GIC). Section 3.12 treats the ordering kinetics in K GIC and SbCl5 GIC.

The importance of cis-trans photoisomerization in the diphenylpolyenes as a model system for isomerization is well established and has been reviewed.1,2 The structure and ordering of the excited electronic states in these systems remain important areas of study. The diphenylpolyenes also provide an important test case for the study of the fundamental interaction between solvent and solute in a chemical reaction in solution. Of particular interest is the dimensionality of the isomerization pathway.3-6 We are using transient Raman spectroscopy to probe the influence of friction on the structure of reacting species in solution.

Abstract In terms of cost and execution time, data-driven Virtual Flow Meters (VFM) are alternative solutions to traditional well testing (WT) and physical multiphase flow meters (MPFM) for production rate determination which is needed for critical decisions by operators but faced with the challenge of low accuracy due to the transient and dynamic state of multiphase flow systems. Recently, some progress has been recorded by training steady-state feed-forward neural networks to learn to approximate production rate based on a certain number of input features (e.g., choke opening, pressure, temperature, etc.) without any recursive feedback connection between the network outputs and inputs. This disconnection has impacted their accuracy. Dynamic artificial neural network, for example, the recurrent neural networks (RNN), e.g., LSTM has shown good performance as their architecture allows for the usage of data from the past time step to predict the current time step. Forecast accuracy for RNNs is limited to a short period due to their inherent vanishing gradient issues. While a majority of VFM applications have been developed for oil and gas systems, little or non is applied to gas condensate systems. In this project, a sequence-to-sequence deep composite LSTM-Autoencoders neural network (LSTM-A-NN) was explored and used to demonstrate the ability to leverage its architecture to accurately predict multiphase flow rate for highly dynamic multiphase flow phenomenon associated with retrograde condensate reservoirs. Data used in training and validating the LSTM-A-NN were generated from simulations. First, a 3D compositional simulator (ECLIPSE 300) was used to simulate, as close as possible, a realistic case of a compositional reservoir with flow from the subsurface to the wellhead to generate production rate data. Secondly, an integrated production system was built using GAP to simulate a coupled material-balanced-based inflow with wells and a surface separator. The production output data in this case includes production rates, wellhead pressure, bottom-hole pressure, temperatures, condensate-gas ratio, etc. For both cases, the LSTM-A-NN performance was impressive (mean square error less than 1) and demonstrated its flexibility and scalability with an increasing number of input features (production data). The LSTM-A-NN learns the physics of complex fluid flow through non-linear dimensionality reduction while passing the temporal sequence of production data through its encoder network. The encoded data representation is thereafter decoded and reconstructed such that the output is in the same dimension as the input. The ability to leverage some advanced artificial intelligence frameworks such as a composite LSTM-A-NN has proven that it is possible to achieve the desired accuracy needed in data-driven VFM to meet the requirement of low cost, low execution time, and high accuracy. This project has also demonstrated the ability of the data-driven model to learn the complex dynamics within the temporal ordering of input sequences of production data, with an internal memory adapted to remember or use information across long input sequences, hence, yielding longer and more reliable forecasts, unlike other networks.