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At least 1,405 records · Page 78

Understanding the role of ultra-thin polymeric interlayers in improving efficiency of polymer light emitting diodes

Insertion of ultra-thin polymeric interlayers (ILs) between the poly(3,4-ethylenedioxythiophene):polystyrene sulphonate hole injection and poly(9,9-dioctylfluorene-alt-benzothiadiazole) (F8BT) light emission layers of polymer light emitting diodes (PLEDs) can significantly increase their efficiency. In this paper, we investigate experimentally a broad range of probable causes of this enhancement with an eye to determining which IL parameters have the most significant effects. The importance of hole injection and electron blocking was studied through varying the IL material (and consequently its electronic energy levels) for both PLED and hole-only diode structures. The role of IL conductivity was examined by introducing a varying level of charge-transfer doping through blending the IL materials with a strong electron-accepting small molecule in concentrations from 1% to 7% by weight. Depositing ILs with thicknesses below the exciton diffusion length of ∼15 nm allowed the role of the IL as a physical barrier to exciton quenching to be probed. IL containing PLEDs was also fabricated with Lumation Green Series 1300 (LG 1300) light emission layers. On the other hand, the PLEDs were modeled using a 3D multi-particle Kinetic Monte Carlo simulation coupled with an optical model describing how light is extracted from the PLED. The model describes charge carrier transport and interactions between electrons, holes, singlets, and triplets, with the current density, luminance, and recombination zone (RZ) locations calculated for each PLED. The model shows F8BT PLEDs have a narrow charge RZ adjacent to the anode, while LG 1300 PLEDs have a wide charge RZ that is evenly distributed across the light emitting layer. Varying the light emitting layer from F8BT to Lumation Green Series 1300, we therefore experimentally examine the dependence of the IL function, specifically in regard to anode-side exciton quenching, on the location of the RZ. We found an exponential dependence of F8BT PLED luminance on the difference, δ, in the highest occupied to lowest unoccupied molecular orbital energy gap between the light emitting polymer and a semiconducting polymeric IL, with δ consequently the most important parameter determining efficiency. Understanding the exponential effect that wider energy gap IL materials have on exciton quenching may allow δ to be used to better guide PLED structure design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Preface to Special Topic: Advances in Radio Frequency Physics in Fusion Plasmas

It has long been recognized that auxiliary plasma heating will be required to achieve the high temperature, high density conditions within a magnetically confined plasma in which a fusion “burn” may be sustained by copious fusion reactions. Consequently, the application of radio and microwave frequency electromagnetic waves to magnetically confined plasma, commonly referred to as RF, has been a major part of the program almost since its inception in the 1950s. These RF waves provide heating, current drive, plasma profile control, and Magnetohydrodynamics (MHD) stabilization. Fusion experiments employ electromagnetic radiation in a wide range of frequencies, from tens of MHz to hundreds of GHz. The fusion devices containing the plasma are typically tori, axisymmetric or non, in which the equilibrium magnetic fields are composed of a strong toroidal magnetic field generated by external coils, and a poloidal field created, at least in the symmetric configurations, by currents flowing in the plasma. The waves are excited in the peripheral regions of the plasma, by specially designed launching structures, and subsequently propagate into the core regions, where resonant wave-plasma interactions produce localized heating or other modification of the local equilibrium profiles. Experimental studies coupled with the development of theoretical models and advanced simulation codes over the past 40+ years have led to an unprecedented understanding of the physics of RF heating and current drive in the core of magnetic fusion devices. Nevertheless, there are serious gaps in our knowledge base that continue to have a negative impact on the success of ongoing experiments and that must be resolved as the program progresses to the next generation devices and ultimately to “demo” and “fusion power plant.” A serious gap, at least in the ion cyclotron (IC) range of frequencies and partially in the lower hybrid frequency ranges, is the difficulty in coupling large amount of power to the plasma while minimizing the interaction between the plasma and launching structures. These potentially harmful interactions between the plasma and the vessel and launching structures are challenging: (i) significant and variable loss of power in the edge regions of confined plasmas and surrounding vessel structures adversely affect the core plasma performance and lifetime of a device; (ii) the launcher design is partly “trial and error,” with the consequence that launchers may have to be reconfigured after initial tests in a given device, at an additional cost. Over the broader frequency range, another serious gap is a quantitative lack of understanding of the combined effects of nonlinear wave-plasma processes, energetic particle interactions and non-axisymmetric equilibrium effects on determining the overall efficiency of plasma equilibrium and stability profile control techniques using RF waves. This is complicated by a corresponding lack of predictive understanding of the time evolution of transport and stability processes in fusion plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

An electronic criterion for assessing intrinsic brittleness of metallic glasses

Bulk metallic glasses (BMGs) are characterized by a number of remarkable physical and mechanical properties. Unfortunately, these same materials are often intrinsically brittle, which limits their utility. Consequently, considerable effort has been expended searching for correlations between the phenomenologically complex mechanical properties of metallic glasses and more basic properties, such correlations might provide insight into the structure and bonding controlling the deformation properties of BMGs. While conducting such a search, we uncovered a weak correlation between a BMG’s work function and its susceptibility to brittle behavior. We argue that the basis for this correlation is a consequence of a component of the work function – the surface dipole – and a fundamental bond property related to the shape of the charge density at a bond critical point. Together these observations suggest that simple first principle calculations might be useful in the search for tougher BMGs.

36 MATERIALS SCIENCE↗

Behavior of supercooled aqueous solutions stemming from hidden liquid–liquid transition in water

A popular hypothesis that explains the anomalies of supercooled water is the existence of a metastable liquid–liquid transition hidden below the line of homogeneous nucleation. If this transition exists and if it is terminated by a critical point, the addition of a solute should generate a line of liquid–liquid critical points emanating from the critical point of pure metastable water. We have analyzed thermodynamic consequences of this scenario. In particular, we consider the behavior of two systems, H{sub 2}O-NaCl and H{sub 2}O-glycerol. We find the behavior of the heat capacity in supercooled aqueous solutions of NaCl, as reported by Archer and Carter [J. Phys. Chem. B 104, 8563 (2000)], to be consistent with the presence of the metastable liquid–liquid transition. We elucidate the non-conserved nature of the order parameter (extent of “reaction” between two alternative structures of water) and the consequences of its coupling with conserved properties (density and concentration). We also show how the shape of the critical line in a solution controls the difference in concentration of the coexisting liquid phases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Integrated optical and electrical modeling of plasmon-enhanced thin film photovoltaics: A case-study on organic devices

The nanoscale light control for absorption enhancement of organic photovoltaic (OPV) devices inevitably produces strongly non-uniform optical fields. These non-uniformities due to the localized optical modes are a primary route toward absorption enhancement in OPV devices. Therefore, a rigorous modeling tool taking into account the spatial distribution of optical field and carrier generation is necessary. Presented here is a comprehensive numerical model to describe the coupled optical and electrical behavior of plasmon-enhanced polymer:fullerene bulk heterojunction (BHJ) solar cells. In this model, a position-dependent electron-hole pair generation rate that could become highly non-uniform due to photonic nanostructures is directly calculated from the optical simulations. By considering the absorption and plasmonic properties of nanophotonic gratings included in two different popular device architectures, and applying the Poisson, current continuity, and drift/diffusion equations, the model predicts quantum efficiency, short-circuit current density, and desired carrier mobility ratios for bulk heterojunction devices incorporating nanostructures for light management. In particular, the model predicts a significant degradation of device performance when the carrier species with lower mobility are generated far from the collecting electrode. Consequently, an inverted device architecture is preferred for materials with low hole mobility. This is especially true for devices that include plasmonic nanostructures. Additionally, due to the incorporation of a plasmonic nanostructure, we use simulations to theoretically predict absorption band broadening of a BHJ into energies below the band gap, resulting in a 4.8% increase in generated photocurrent.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Full dimensional Franck-Condon factors for the acetylene A{sup ~} {sup 1}A{sub u}—X{sup ~1}Σ{sub g}{sup +} transition. II. Vibrational overlap factors for levels involving excitation in ungerade modes

A full-dimensional Franck-Condon calculation has been applied to the A{sup ~} {sup 1}A{sub u}—X{sup ~1}Σ{sub g}{sup +} transition in acetylene in the harmonic normal mode basis. Details of the calculation are discussed in Part I of this series. To our knowledge, this is the first full-dimensional Franck-Condon calculation on a tetra-atomic molecule undergoing a linear-to-bent geometry change. In the current work, the vibrational intensity factors for levels involving excitation in ungerade vibrational modes are evaluated. Because the Franck-Condon integral accumulates away from the linear geometry, we have been able to treat the out-of-plane component of trans bend (ν{sub 4}{sup ′′}) in the linear X{sup ~} state in the rotational part of the problem, restoring the χ Euler angle and the a-axis Eckart conditions. A consequence of the Eckart conditions is that the out-of-plane component of ν{sub 4}{sup ′′} does not participate in the vibrational overlap integral. This affects the structure of the coordinate transformation and the symmetry of the vibrational wavefunctions used in the overlap integral, and results in propensity rules involving the bending modes of the X{sup ~} state that were not previously understood. We explain the origin of some of the unexpected propensities observed in IR-UV laser-induced fluorescence spectra, and we calculate emission intensities from bending levels of the A{sup ~} state into bending levels of the X{sup ~} state, using normal bending mode and local bending mode basis sets. Our calculations also reveal Franck-Condon propensities for the Cartesian components of the cis bend (ν{sub 5}{sup ′′}), and we predict that the best A{sup ~}-state vibrational levels for populating X{sup ~}-state levels with large amplitude bending motion localized in a single C–H bond (the acetylene↔vinylidene isomerization coordinate) involve a high degree of excitation in ν{sub 6}{sup ′} (cis-bend). Mode ν{sub 4}{sup ′} (torsion) populates levels with large amplitude counter-rotational motion of the two hydrogen atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Plasma induced DNA damage: Comparison with the effects of ionizing radiation

We use human primary fibroblasts for comparing plasma and gamma rays induced DNA damage. In both cases, DNA strand breaks occur, but of fundamentally different nature. Unlike gamma exposure, contact with plasma predominantly leads to single strand breaks and base-damages, while double strand breaks are mainly consequence of the cell repair mechanisms. Different cell signaling mechanisms are detected confirming this (ataxia telangiectasia mutated - ATM and ataxia telangiectasia and Rad3 related - ATR, respectively). The effective plasma doses can be tuned to match the typical therapeutic doses of 2 Gy. Tailoring the effective dose through plasma power and duration of the treatment enables safety precautions mainly by inducing apoptosis and consequently reduced frequency of micronuclei.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Towards III-V solar cells on Si: Improvement in the crystalline quality of Ge-on-Si virtual substrates through low porosity porous silicon buffer layer and annealing

A comparison between the crystalline quality of Ge grown on bulk Si and on a low porosity porous Si (pSi) buffer layer using low energy plasma enhanced chemical vapor deposition is reported. Omega/2Theta coupled scans around the Ge and Si (004) diffraction peaks show a reduction of the Ge full-width at half maximum (FWHM) of 22.4% in presence of the pSi buffer layer, indicating it is effective in improving the epilayer crystalline quality. At the same time atomic force microscopy analysis shows an increase in root means square roughness for Ge grown on pSi from 38.5 nm to 48.0 nm, as a consequence of the larger surface roughness of pSi compared to bulk Si. The effect of 20 minutes vacuum annealing at 580°C is also investigated. The annealing leads to a FWHM reduction of 23% for Ge grown on Si and of 36.5% for Ge on pSi, resulting in a FWHM of 101 arcsec in the latter case. At the same time, the RMS roughness is reduced of 8.8% and of 46.5% for Ge grown on bulk Si and on pSi, respectively. The biggest improvement in the crystalline quality of Ge grown on pSi with respect to Ge grown on bulk Si observed after annealing is a consequence of the simultaneous reorganization of the Ge epilayer and the buffer layer driven by energy minimization. A low porosity buffer layer can thus be used for the growth of low defect density Ge on Si virtual substrates for the successive integration of III-V multijunction solar cells on Si. The suggested approach is simple and fast –thus allowing for high throughput-, moreover is cost effective and fully compatible with subsequent wafer processing. Finally it does not introduce new chemicals in the solar cell fabrication process and can be scaled to large area silicon wafers.

36 MATERIALS SCIENCE↗

Time-resolved characterization and energy balance analysis of implosion core in shock-ignition experiments at OMEGA

Time-resolved temperature and density conditions in the core of shock-ignition implosions have been determined for the first time. The diagnostic method relies on the observation, with a streaked crystal spectrometer, of the signature of an Ar tracer added to the deuterium gas fill. The data analysis confirms the importance of the shell attenuation effect previously noted on time-integrated spectroscopic measurements of thick-wall targets [R. Florido et al., Phys. Rev. E 83, 066408 (2011)]. This effect must be taken into account in order to obtain reliable results. The extracted temperature and density time-histories are representative of the state of the core during the implosion deceleration and burning phases. As a consequence of the ignitor shock launched by the sharp intensity spike at the end of the laser pulse, observed average core electron temperature and mass density reach T ~ 1100 eV and ρ ~ 2 g/cm 3 ; then temperature drops to T ~ 920 eV while density rises to ρ ~ 3.4 g/cm 3 about the time of peak compression. Compared to 1D hydrodynamic simulations, the experiment shows similar maximum temperatures and smaller densities. Simulations do not reproduce all observations. Differences are noted in the heating dynamics driven by the ignitor shock and the optical depth time-history of the compressed shell. Time-histories of core conditions extracted from spectroscopy show that the implosion can be interpreted as a two-stage polytropic process. Furthermore, an energy balance analysis of implosion core suggests an increase in total energy greater than what 1D hydrodynamic simulations predict. This new methodology can be implemented in other ICF experiments to look into implosion dynamics and help to understand the underlying physics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The effect of cesium carbonate on 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C 61 aggregation in films

Surface-pressure isotherms, X-ray reflectivity, and X-ray near-total reflection fluorescence were used to study the properties of 1-(3-methoxycarbonyl)propyl-1-phenyl[6,6]C 61 (PCBM) that was pre-mixed with cesium carbonate and spread as a film at the air-water interface. The pre-mixed PCBM with cesium carbonate demonstrated a strikingly strong effect on the organization of the film. Whereas films formed from pure PCBM solution were rough due to strong inter-molecular interactions, the films formed from the mixture were much smoother. This indicates that the cesium carbonate moderates the inter-molecular interactions among PCBM molecules, hinting that the cesium diffusion observed in inverted organic photovoltaics and the likely ensuing ionic Cs-PCBM interaction decrease aggregation tendency of PCBM. As a result, this implies that the use of cesium salts affects the morphology of the organic layer and consequently improves the efficiency of these devices.

36 MATERIALS SCIENCE↗

Electron heating during discharges driven by thermionic emission

The heating of plasma electrons during discharges driven by thermionic emission is studied using one-dimensional particle-in-cell Monte Carlo collisions modeling that self-consistently takes the dependence of the thermionic current on the plasma parameters into account. It is found that at a gas pressure of 10{sup 2 }Pa the electron two-stream instability is excited. As a consequence, the electrostatic plasma wave propagates from the cathode to the anode. The trapping of electrons by this wave contributes noticeably to the heating of the plasma. At a larger gas pressure, this instability is not excited. As a consequence, plasma electrons are heated only because of the generation of energetic electrons in ionization events and the scattering of emitted electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Atomic moments in Mn{sub 2}CoAl thin films analyzed by X-ray magnetic circular dichroism

Spin gapless semiconductors are known to be strongly affected by structural disorder when grown epitaxially as thin films. The magnetic properties of Mn{sub 2}CoAl thin films grown on GaAs (001) substrates are investigated here as a function of annealing. This study investigates the atomic-specific magnetic moments of Mn and Co atoms measured through X-ray magnetic circular dichroism as a function of annealing and the consequent structural ordering. The results indicate that the structural distortion mainly affects the Mn atoms as seen by the reduction of the magnetic moment from its predicted value.

36 MATERIALS SCIENCE↗

Effect of particle size distribution on the structure, hyperfine, and magnetic properties of Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanopowders

Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nano powders were synthesized by an auto combustion method and then heat treated at different temperatures in air for a fixed time. As a consequence, a distribution in particle size and strain was incorporated within the specimens, as estimated from the Rietveld refinement analysis of the powder x-ray diffraction data. The changes in the microstructure and crystal structure parameters were carefully extracted through the refinement analysis. Thermal annealing causes increment in the dispersion and mean of the size distribution. Reallocation of cations in the lattice sites occur as a consequence of the heat treatment which was manifested in their altered unit cell length (a), r.m.s. strain (〈ε{sup 2}〉{sup 1/2}), oxygen positional parameter (u), metal-oxygen bond lengths (R{sub OA} and R{sub OB}), and the band positions (ν{sub 1}and ν{sub 2}) in the vibrational spectroscopy. We also investigate the hyperfine and magnetic properties of the samples using different instrumental techniques (with different operating time scales) like Mössbauer spectroscopy, electron paramagnetic resonance spectroscopy, and superconducting quantum interference device magnetometry. Results show that the effect of particle size distribution was manifested in their hyperfine field distribution profile, paramagnetic resonance spectra, and magnetic anisotropy energy distribution profile. Co-existence of superparamagnetic and ferrimagnetic phase was recorded at room temperature in the samples when annealed at lower temperature. However, with increase in annealing temperature, the nature of the size distribution changes and ferrimagnetic ordering predominates for the larger size nanoparticles. Thus, the effect of particle size distribution on the structural, hyperfine, and magnetic properties of various Ni{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} nanoparticles was investigated herein which hitherto has not been discussed in the literature.

36 MATERIALS SCIENCE↗

Tungsten dust impact on ITER-like plasma edge

The impact of tungsten dust originating from divertor plates on the performance of edge plasma in ITER-like discharge is evaluated using computer modeling with the coupled dust-plasma transport code DUSTT-UEDGE. Different dust injection parameters, including dust size and mass injection rates, are surveyed. It is found that tungsten dust injection with rates as low as a few mg/s can lead to dangerously high tungsten impurity concentrations in the plasma core. Dust injections with rates of a few tens of mg/s are shown to have a significant effect on edge plasma parameters and dynamics in ITER scale tokamaks. The large impact of certain phenomena, such as dust shielding by an ablation cloud and the thermal force on tungsten ions, on dust/impurity transport in edge plasma and consequently on core tungsten contamination level is demonstrated. It is also found that high-Z impurities provided by dust can induce macroscopic self-sustained plasma oscillations in plasma edge leading to large temporal variations of edge plasma parameters and heat load to divertor target plates.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evolution of magnetic properties and microstructure of Hf{sub 2}Co{sub 11}B alloys

Amorphous Hf{sub 2}Co{sub 11}B alloys produced by melt-spinning have been crystallized by annealing at 500–800 °C, and the products have been investigated using magnetization measurements, x-ray diffraction, and scanning electron microscopy. The results reveal the evolution of the phase fractions, microstructure, and magnetic properties with both annealing temperature and time. Crystallization of the phase denoted HfCo{sub 7}, which is associated with the development of coercivity, occurs slowly at 500 °C. Annealing at intermediate temperatures produces mixed phase samples containing some of the HfCo{sub 7} phase with the highest values of remanent magnetization and coercivity. The equilibrium structure at 800 °C contains HfCo{sub 3}B{sub 2}, Hf{sub 6}Co{sub 23}, and Co, and displays soft ferromagnetism. Maximum values for the remanent magnetization, intrinsic coercivity, and magnetic energy product among the samples are approximately 5.2 kG, 2.0 kOe, and 3.1 MGOe, respectively, which indicates that the significantly higher values observed in crystalline, melt-spun Hf{sub 2}Co{sub 11}B ribbons are a consequence of the non-equilibrium solidification during the melt-spinning process. Application of high magnetic fields during annealing is observed to strongly affect the microstructural evolution, which may provide access to higher performance materials in Zr/Hf-Co hard ferromagnets. The crystal structure of HfCo{sub 7} and the related Zr analogues is unknown, and without knowledge of atomic positions powder diffraction cannot distinguish among proposed unit cells and symmetries found in the literature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Interpreting the nonlinear dielectric response of glass-formers in terms of the coupling model

Nonlinear dielectric measurements at high electric fields of glass-forming glycerol and propylene carbonate initially were carried out to elucidate the dynamic heterogeneous nature of the structural α-relaxation. Recently, the measurements were extended to sufficiently high frequencies to investigate the nonlinear dielectric response of faster processes including the so-called excess wing (EW), appearing as a second power law at high frequencies in the loss spectra of many glass formers without a resolved secondary relaxation. While a strong increase of dielectric constant and loss is found in the nonlinear dielectric response of the α-relaxation, there is a lack of significant change in the EW. A surprise to the experimentalists finding it, this difference in the nonlinear dielectric properties between the EW and the α-relaxation is explained in the framework of the coupling model by identifying the EW investigated with the nearly constant loss (NCL) of caged molecules, originating from the anharmonicity of the intermolecular potential. The NCL is terminated at longer times (lower frequencies) by the onset of the primitive relaxation, which is followed sequentially by relaxation processes involving increasing number of molecules until the terminal Kohlrausch α-relaxation is reached. These intermediate faster relaxations, combined to form the so-called Johari-Goldstein (JG) β-relaxation, are spatially and dynamically heterogeneous, and hence exhibit nonlinear dielectric effects, as found in glycerol and propylene carbonate, where the JG β-relaxation is not resolved and in D-sorbitol where it is resolved. Like the linear susceptibility, χ{sub 1}(f), the frequency dispersion of the third-order dielectric susceptibility, χ{sub 3}(f), was found to depend primarily on the α-relaxation time, and independent of temperature T and pressure P. I show this property of the frequency dispersions of χ{sub 1}(f) and χ{sub 3}(f) is the characteristic of the many-body relaxation dynamics of interacting systems which are governed solely by the intermolecular potential, and thermodynamic condition plays no role in this respect. Although linked to χ{sub 3}(f), dynamic heterogeneity is one of the parallel consequences of the many-body dynamics, and it should not be considered as the principal control parameter for the other dynamic properties of glassforming systems. Results same as χ{sub 3}(f) at elevated pressures had been obtained before by molecular dynamics simulations from the four-points correlation function and the intermediate scattering function. Naturally all properties obtained from the computer experiment, including dynamics heterogeneity, frequency dispersion, the relation between the α- and JG β-relaxation, and the breakdown of the Stokes-Einstein relation, are parallel consequences of the many-body relaxation dynamics governed by the intermolecular potential.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Microscopic studies of nonlocal spin dynamics and spin transport (invited)

Understanding the behavior of spins coupling across interfaces in the study of spin current generation and transport is a fundamental challenge that is important for spintronics applications. The transfer of spin angular momentum from a ferromagnet into an adjacent normal material as a consequence of the precession of the magnetization of the ferromagnet is a process known as spin pumping. We find that, in certain circumstances, the insertion of an intervening normal metal can enhance spin pumping between an excited ferromagnetic magnetization and a normal metal layer as a consequence of improved spin conductance matching. We have studied this using inverse spin Hall effect and enhanced damping measurements. Scanned probe magnetic resonance techniques are a complementary tool in this context offering high resolution magnetic resonance imaging, localized spin excitation, and direct measurement of spin lifetimes or damping. Localized magnetic resonance studies of size-dependent spin dynamics in the absence of lithographic confinement in both ferromagnets and paramagnets reveal the close relationship between spin transport and spin lifetime at microscopic length scales. Finally, detection of ferromagnetic resonance of a ferromagnetic film using the photoluminescence of nitrogen vacancy spins in neighboring nanodiamonds demonstrates long-range spin transport between insulating materials, indicating the complexity and generality of spin transport in diverse, spatially separated, material systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Study of the rovibrational intensities of tetrahedral molecules and prediction of the pentad poliade of {sup 12}CD{sub 4}

The use of tensor models adapted to tetrahedral molecules such CH{sub 4}, SiH{sub 4}, G{sub e}H{sub 4}... that use mathematical tools (group theory, irreducible tensor operators) and the characteristics of symmetrical molecules, gives good results. Starting from an experimental spectrum, we can calculate some parameters of the Hamiltonian and consequently the energy levels. Once the line positions are determined, we calculate the parameters of the dipole moment of these molecules and consequently the rovibrational intensities. Both software STDS and SPVIEW, we determined the parameters of the Hamiltonian and those of the dipole moment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗