Effect Of Dipole-dipole Interaction Research Articles

Simultaneous control of carrier transport and film polarization of emission layers aimed at high-performance OLEDs

The orientation of a permanent dipole moment during vacuum deposition results in the occurrence of spontaneous orientation polarization (SOP). Previous studies reported that the presence of SOP in organic light-emitting diodes (OLEDs) lowers electroluminescence efficiency because electrically generated excitons are seriously quenched by SOP-induced accumulated charges. Thus, the SOP in a host:guest-based emission layer (EML) should be finely controlled. In this study, we demonstrate the positive effect of dipole-dipole interactions between polar host and polar emitter molecules on the OLED performance. We found that a small-sized polar host molecule that possesses both high molecular diffusivities and moderate permanent dipole moment, well cancels out the polarization formed by the SOP of the emitter molecules in the EML without a disturbance of the emitter molecules’ intrinsic orientation, leading to high-performance of OLEDs. Our molecular design strategy will allow emitter molecules to pull out the full potential of the EMLs in OLEDs.

Photoinduced Electron Transfer between Dipolar Reactants: Solvent and Excitation Wavelength Effects.

Electron transfer (ET) quenching in nonpolar media is not as well understood as in polar environments. Here, we investigate the effect of dipole-dipole interactions between the reactants using ultrafast broadband electronic spectroscopy combined with molecular dynamics simulations. We find that the quenching of the S1 state of two polar dyes, coumarin 152a and Nile red, by the polar N,N-dimethylaniline (DMA) in cyclohexane is faster by a factor up to 3 when exciting on the red edge rather than at the maximum of their S1 ← S0 absorption band. This originates from the inhomogeneous broadening of the band due to a distribution of the number of quencher molecules around the dyes. As a consequence, red-edge excitation photoselects dyes in a DMA-rich environment. Such broadening is not present in acetonitrile, and no excitation wavelength dependence of the ET dynamics is observed. The quenching of both dyes is markedly faster in nonpolar than polar solvents, independently of the excitation wavelength. According to molecular dynamics simulations, this is due to the preferential solvation of the dyes by DMA in cyclohexane. The opposite preferential solvation is predicted in acetonitrile. Consequently, close contact between the reactants in acetonitrile requires partial desolvation. By contrast, the recombination of the quenching product is slower in nonpolar than in polar solvents and exhibits much smaller dependence, if any, on the excitation wavelength.

Effect of line tension on domain formation of fluorinated compounds at alkane/water interface

Condensed domain formation of fluorinated compounds (alcohol and ester) in adsorbed films at alkane/water interfaces was investigated by interfacial tensiometry, X-ray reflectometry, and BAM observation. The results obtained are explained by the effects of contact energy and dipole-dipole interaction, which are competitive contributions to the line tension acting at the domain boundary. Estimation of the two contributions indicated that the former is more dominant than the latter for the domain formation. In the adsorbed films of fluorinated alcohol, F8H2OH, at alkane/water interfaces, the domain formation was suppressed with increasing alkane chain length due to an increase in contact energy. The mixing of hybrid alcohol with fluorocarbon and hydrocarbon chains of the same carbon number, F6H6OH, in adsorbed film reduces contact energy. This stabilizes the dispersion of many domains with small size. On the other hand, when F8H2OH molecules are mixed with a cationic surfactant, C12TAB, in the adsorbed film, an attractive dipole-ion interaction between the hydrophilic groups relaxes the repulsive dipole-dipole interaction between F8H2OH molecules, resulting in the formation of domains with smooth boundary and large size. Furthermore, fluorinated ester, FC12Me molecules form flower shaped domains with intricate boundary mainly due to a larger dipole moment of FC12Me than F8H2OH.

Multiphoton blockade and antibunching in an optical cavity coupled with dipole-dipole-interacting Λ -type atoms

We study multiphoton blockade effects in a single-mode cavity interacting with two three-level atoms in $\Lambda$-configuration having position-dependent atom-field coupling. We consider the effects of dipole-dipole interaction (DDI) between the three-level atoms and show how the presence of DDI strongly influences the multiphoton blockade. For symmetric coupling of the atoms with the field, the DDI induces an asymmetry in the emission spectra as a function of pump field detuning. At positive detuning, the single-photon blockade gets stronger as a function of DDI strength, leading to photon antibunching. However, it becomes weaker at negative detuning and can also completely vanish. We show that this vanishing single-photon blockade is associated with a strong two-photon blockade, leading to two-photon bunching. Therefore, by just tuning the frequency of the pump field, we can achieve two very distinct features. We also study the effects of DDI when the atoms are asymmetrically coupled with the field and show that the proposed system exhibits two-photon bunching. We believe our results are important for the experimental realization of such systems where DDI may be present.

Effects of Dipole-Dipole Interaction and Time-Dependent Coupling on the Evolution of Entanglement and Quantum Coherence for Superconducting Qubits in a Nonlinear Field System

We examine the temporal comportment of formation entanglement and quantum coherence in a quantum system made up of two superconducting charge qubits (SC-Qs), in the case of two different classes of nonlinear field. The results discussed the impact role of time-dependent coupling (T-DC) and dipole-dipole interaction (D-DI) on the temporal comportment of quantum coherence and entanglement in the ordinary and nonlinear field. In addition, we show that the main parameters of the quantum model affect the entanglement of formation and the coherence of the system in a similar way.

Topological defects of dipolar bose-einstein condensates with dresselhaus spin-orbit coupling in an anharmonic trap

We consider the topological defects and spin structures of binary Bose-Einstein condensates (BECs) with Dresselhaus spin-orbit coupling (D-SOC) and dipole-dipole interaction (DDI) in an anharmonic trap. The combined effects of D-SOC, DDI and anharmonic trap on the ground-state phases of the system are analyzed. Our results show various structural phase transitions can be achieved by adjusting the magnitudes of the D-SOC and DDI. Meantime, a ground-state phase diagram is given as a function of the D-SOC and DDI strengths. In addition, we find that tuning the D-SOC and the DDI can derive novel rich topological configurations, including ghost vortex, half-quantum vortex, skyrmion pair, vertical skyrmion string and horizontal skyrmion string.

End-to-end entanglement in a polar-molecule array under intrinsic decoherence

Dynamic entanglement between two end molecules in a polar-molecule array is investigated in static electric fields. Specific initial states are set to probe the evolution of the molecular system under the influence of intrinsic decoherence. We analyze the degree of entanglement between the end molecules by use of concurrence. When the Bell states are initially shared between the end molecules, the end-to-end concurrence shows either a fragile or a robust behavior. The robust concurrence is less affected by decoherence, reflecting a situation that the initial Bell state can be shared between the end molecules for long periods of time. The stability of the entanglement shared between two arbitrary molecules in the array is further studied. Furthermore, we show how to induce a high end-to-end concurrence via transfer of a separable state. The state is transferred from one end molecule to the other. During the back-and-forth transfer processes, the concurrence cyclically reveals high peaks, corresponding to different Bell-like states. In addition, population inversion is observed to only occur at the end molecules in the array. We further examine the contribution of effective states to the concurrence and discuss the effects of decoherence, dipole-field interaction, and dipole-dipole interaction on its properties.

Increasing the decoherence rate of Rydberg polaritons due to accumulating dark Rydberg atoms

We experimentally observed an accumulative type of nonlinear attenuation and distortion of slow light, i.e., Rydberg polaritons, with the Rydberg state $|32D_{5/2}\rangle$ in the weak-interaction regime. The present effect of attenuation and distortion cannot be explained by considering only the dipole-dipole interaction (DDI) between Rydberg atoms in $|32D_{5/2}\rangle$. Our observation can be attributed to the atoms in the dark Rydberg states other than those in the bright Rydberg state, i.e., $|32D_{5/2}\rangle$, driven by the coupling field. The dark Rydberg states are all the possible states, in which the population decaying from $|32D_{5/2}\rangle$ accumulated over time, and they were not driven by the coupling field. Consequently, the DDI between the dark and bright Rydberg atoms increased the decoherence rate of the Rydberg polaritons. We performed three different experiments to verify the above hypothesis, to confirm the existence of the dark Rydberg states, and to measure the decay rate from the bright to dark Rydberg states. In the theoretical model, we included the decay process from the bright to dark Rydberg states and the DDI effect induced by both the bright and dark Rydberg atoms. All the experimental data of slow light taken at various probe Rabi frequencies were in good agreement with the theoretical predictions based on the model. This study pointed out an additional decoherence rate in the Rydberg-EIT effect, and provides a better understanding of the Rydberg-polariton system.

Atomistic Theory of Thermally Activated Magnetization Processes in Nd<sub>2</sub>Fe<sub>14</sub>B Permanent Magnet

For the practical use of magnets, particularly at high temperatures, the temperature dependence of magnetic properties is an important ingredient. To study the temperature dependence, methods of treating the thermal fluctuation causing the so-called activation phenomena must be established. To study finite-temperature properties quantitatively, we need atomistic energy information to calculate the canonical distribution. In the present review, we report our recent studies on the thermal properties of the Nd2Fe14B magnet and the methods of studying them. We first propose an atomistic Hamiltonian and show various thermodynamic properties, e.g., the temperature dependences of the magnetization showing a spin reorientation transition, the magnetic anisotropy energy, the domain wall profiles, the anisotropy of the exchange stiffness constant, and the spectrum of ferromagnetic resonance. The effects of the dipole-dipole interaction (DDI) in large grains are also presented. In addition to these equilibrium properties, we also study coercivity, which is the most important issue for magnets. The temperature dependence of the coercivity of a single grain was studied using the stochastic Landau-Lifshitz-Gilbert equation and also by the analysis of the free energy landscape, which was obtained by Monte Carlo simulation. It was found that the upper limit of coercivity at room temperature is about 3 T, which is significantly lower than the so-called theoretical coercivity given by a simple coherent rotation model. The coercivity of a polycrystalline magnet, i.e., an ensemble of grains, is expected to be reduced further by the effects of the grain boundary phase, which is also studied. Surface nucleation is a key ingredient in the domain wall depinning process. Finally, we study the effect of DDI among grains and also discuss the distribution of properties of grains from the viewpoint of first order reversal curve.

Quantum phases and dynamics of dipolar spin-1 ferromagnetic Bose–Einstein condensates with spin–orbit coupling in a double-well potential

We consider a spin-1 ferromagnetic Bose–Einstein condensate with Rashba spin–orbit coupling (SOC) and dipole–dipole interaction (DDI) in a double-well potential. For the nonrotating case, the ground state of the system is obtained by using the imaginary time propagation method, and a ground-state phase diagram is given with respect to the SOC strength and the DDI strength. It is shown that the nonrotating system sustains rich exotic ground-state phases including the ox-horn phase with hidden vortices and antivortices, density droplet phase with vortex–antivortex pairs, modulated stripe phase with vortex–antivortex chains, checkerboard phase with visible vortex–antivortex chains and hidden vortex–antivortex pairs, and the triangular vortex–antivortex lattice phase. For the rotating case, the dynamics of the system is investigated by using a phenomenological dissipation model. The effects of SOC, DDI and rotation on the unique dynamic behaviors of the rotating system and the final steady-state structures are revealed and analyzed. In particular, the rotating system supports fascinating novel spin textures and skyrmion excitations, and experiences a series of topological structure transitions such as the transitions from an interlaced skyrmion–antiskyrmion lattice pair to a skyrmion–meron lattice pair and then to a meron lattice pair.

Triaxial magnetic anisotropy in the two-dimensional ferromagnetic semiconductor CrSBr

Two-dimensional ferromagnets have recently drawn extensive attention, and here we study the electronic structure and magnetic properties of the bulk and monolayer of CrSBr using first-principles calculations and Monte Carlo simulations. Our results show that bulk CrSBr is a magnetic semiconductor and has the easy magnetization $b$ axis, hard $c$ axis, and intermediate $a$ axis. Thus the experimental triaxial magnetic anisotropy (MA) is well reproduced here, and it is identified to be the joint effects of spin-orbit coupling and magnetic dipole-dipole interaction. We find that bulk CrSBr has a strong ferromagnetic (FM) intralayer coupling but a marginal interlayer one. We also study the CrSBr monolayer in detail and find that the intralayer FM exchange persists and the shape anisotropy has a more pronounced contribution to the MA. Using the parameters of the FM exchange and the triaxial MA, our Monte Carlo simulations show that the CrSBr monolayer has Curie temperature ${T}_{\mathrm{C}}=175$ K. Moreover, we find that a uniaxial tensile (compressive) strain along the $a$ $(b)$ axis would further increase the ${T}_{\mathrm{C}}$.

Dynamic magnetic susceptibility of a ferrofluid: The influence of interparticle interactions and ac field amplitude.

Based on numerical results of dynamic susceptibility, a simple theory of the dynamic response of a ferrofluid to an ac magnetic field is obtained that includes both the effects of interparticle dipole-dipole interactions and the dependence on field amplitude. Interparticle interactions are incorporated in the theory using the so-called modified mean-field approach. The new theory has the following important characteristics: in the noninteracting regime at a weak ac field, it gives the correct single-particle Debye theory results; it expands the applicability of known theories valid for high concentrations [Ivanov, Zverev, and Kantorovich, Soft Matter 12, 3507 (2016)10.1039/C5SM02679B] or large values of ac field amplitudes [Yoshida and Enpuku, Jpn. J. Appl. Phys. 48, 127002 (2009)10.1143/JJAP.48.127002], in accordance with their applicability. The susceptibility spectra are analyzed in detail. It is demonstrated that interparticle dipole-dipole interactions and an increase in field amplitude have an opposite effect on the dynamic response of ferrofluids, so that at certain field amplitudes, relaxation processes in the system of interacting particles are determined by the characteristic relaxation times for an ideal paramagnetic gas. The new theory correctly predicts the dynamic susceptibility and characteristic relaxation times of a ferrofluid at high ac field amplitudes as long as the Langevin susceptibility χ_{L}≲1, which is a complex characteristic of ferrofluid density and the intensity of interparticle dipole-dipole interactions.

Complete Electromagnetic Dyadic Green Function Characterization in a Complex Environment—Resonant Dipole-Dipole Interaction and Cooperative Effects

The Green function is a crucial description of a system's response to an impulse but is challenging to measure experimentally. A new measurement technique fully characterizes the function for a resonant planar cavity.

Dipolar order in an amphidynamic crystalline metal-organic framework through reorienting linkers.

Amphidynamic crystals, which possess crystallinity and support dynamic behaviours, are very well suited to the exploration of emergent phenomena that result from the coupling on the dynamic moieties. Here, dipolar rotors have been embedded in a crystalline metal-organic framework. The material consists of Zn(II) nodes and two types of ditopic bicyclo[2.2.2]octane-based linkers-one that coordinates to the Zn clusters through two 1,4-aza moieties, and a difluoro-functionalized derivative (the dipolar rotor) that coordinates through linked 1,4-dicarboxylate groups instead. Upon cooling, these linkers collectively order as a result of correlated dipole-dipole interactions. Variable-temperature, frequency-dependent dielectric measurements revealed a transition temperature Tc = 100 K, when a rapidly rotating, dipole-disordered, paraelectric phase transformed into an ordered, antiferroelectric one in which the dipole moments of the rotating linkers largely cancelled each other. Monte Carlo simulations on a two-dimensional rotary lattice showed a ground state with an Ising symmetry and the effects of dipole-lattice and dipole-dipole interactions.

Second harmonic generation from metal nanoparticle dimer: an analytical approach in dipole approximation

In this theoretical study, the problem of Second Harmonic Generation (SHG) in the interaction of laser beam with a Metallic Nanoparticle (MNP) dimer is considered. Using a classical electrodynamics approach, the nonlinear interaction of laser beam fields with Nanoparticles (NPs) is considered taking into account the dipole-dipole interparticle interactions. Analytical formulae are derived for the effect of dipole-dipole interaction on the Second Harmonic (SH) radiation power for two different polarizations of laser beam. It is found that the interaction causes the substantial enhancement of the SH radiation power while for the case when the laser beam field is parallel to the dimer axis, this enhancement is larger. Additionally, the dipole-dipole interaction of NPs leads to the redshift of the peak value with respect to the individual NP radiation. The resonance frequency displacement of the parallel case is more than that of the perpendicular one. The effect of particles size and interparticle separation on the SHG is studied.

Selective Rydberg pumping via strong dipole blockade

The resonant dipole-dipole interaction between highly excited Rydberg levels dominates the interaction of neutral atoms at short distances scaling as $1/r^3$. Here we take advantage of the combined effects of strong dipole-dipole interaction and multifrequency driving fields to propose one type of selective Rydberg pumping mechanism. In the computational basis of two atoms $\{|00\rangle, |01\rangle,|10\rangle,|11\rangle\}$, this mechanism allows $|11\rangle$ to be resonantly pumped upwards to the single-excited Rydberg states while the transitions of the other three states are suppressed. From the perspective of mathematical form, we achieve an analogous F\"{o}ster resonance for ground states of neutral atoms. The performance of this selective Rydberg pumping is evaluated using the definition of fidelity for controlled-$Z$ gate, which manifests a characteristic of robustness to deviation of interatomic distance, fluctuation of F\"{o}ster resonance defect, and spontaneous emission of double-excited Rydberg states. As applications of this mechanism, we discuss in detail the preparation of the maximally entangled symmetric state for two atoms via ground-state blockade, and the maximally entangled antisymmetric state via engineered spontaneous emission, within the state-of-the-art experiments, respectively.

Structure of a two-dimensional superparamagnetic system in a quadratic trap.

Ground-state structures of a two-dimensional (2D) system composed of superparamagnetic charged particles are investigated by means of molecular dynamics simulation. The charged particles trapped in a quadratic potential interact with each other via the repulsive, attractive, and magnetic dipole-dipole forces. Simulations are performed within two regimes: a one-component system and a two-component system where the charged particles have the identical charge-to-mass ratio. The effects of magnetic dipole-dipole interaction, mixing ratio of the two species and confinement frequency on the ground-state structures are discussed. It is found that as the strength of the magnetic dipole increases, the charged particles tend to self-organize into chainlike structures. The two species particles exhibit different structural features, depending on the competition of electrostatic repulsive interaction, magnetic dipole-dipole interaction and confinement force. The potential lanes are observed through analyzing the global potential of the magnetic particles, which guide the unmagnetic particles aligning themselves in the direction of the potential lanes.

Topological defects in rotating spin–orbit-coupled dipolar spin-1 Bose–Einstein condensates

We consider the topological defects and spin structures of spin-1 Bose–Einstein condensates with spin–orbit coupling (SOC) and dipole–dipole interaction (DDI) in a rotating harmonic plus quartic trap. The combined effects of SOC, DDI and rotation on the ground-state phases of the system are analyzed. Our results show that for fixed rotation frequency structural phase transitions can be achieved by adjusting the magnitudes of the SOC and DDI. A ground-state phase diagram is given as a function of the SOC and DDI strengths. It is shown that the system exhibits rich quantum phases including vortex string phase with isolated density peaks (DPs), triangular (square) vortex lattice phase with DPs, checkerboard phase, and stripe phase with hidden vortices and antivortices. For given SOC and DDI strengths, the system can display pentagonal vortex lattice with DPs, vortex necklace with DPs, and exotic topological structure composed of multi-layer visible vortex necklaces, a hidden giant vortex and hidden vortex necklaces, depending on the rotation frequency. In addition, the system sustains fascinating novel spin textures and skyrmion excitations, such as an antiskyrmion pair, antiskyrmion-half-antiskyrmion (antiskyrmion–antimeron) cluster, skyrmion–antiskyrmion lattice, skyrmion–antiskyrmion cluster, skyrmion–antiskyrmion–meron–antimeron lattice, double-layer half-antiskyrmion necklaces, and composite giant-antiskyrmion–antimeron necklaces.

Exciton localization in tubular molecular aggregates: Size effects and optical response.

We study the exciton localization and resulting optical response for disordered tubular aggregates of optically active molecules. It has previously been shown that such tubular structures allow for excitons delocalized over more than a thousand molecules, owing to the combined effects of long-range dipole-dipole interactions and the higher-dimensional (not truly one-dimensional) nature of the aggregate. Such large delocalization sizes prompt the question to what extent in experimental systems the delocalization may still be determined by the aggregate size (diameter and length) and how this affects the aggregate's optical response and dynamics. We perform a systematic study of the size effects on the localization properties using numerical simulations of the exciton states in a cylindrical model structure inspired by the previously derived geometry of a cylindrical aggregate of cyanine dye molecules (C8S3). To characterize the exciton localization, we calculate the participation ratio and the autocorrelation function of the exciton wave function. We also calculate the density of states and absorption spectrum. We find strong effects of the tube's radius on the localization and optical properties in the range of parameters relevant to the experiment. In addition, surprisingly, we find that even for tubes as long as 750 nm, the localization size is limited by the tube's length for disorder values that are relevant to experimental circumstances, while observable effects of the tube's length in the absorption spectrum still occur for tube lengths up to about 150 nm. The latter may explain the changes in the optical spectra observed during the aging process of bromine-substituted C8S3 aggregates. For weak disorder, the exciton wave functions exhibit a scattered, fractal-like nature, similar to the quasi-particles in two-dimensional disordered systems.

Resonant Optical Phenomena in Heterogeneous Plasmon Nanostructures of Noble Metals: A Review

The interaction of electromagnetic radiation with ordered and disordered arrays of noble metal nanoparticles, leading to the excitation of various modes of surface plasmon states in them, is analyzed. The dipole localized surface plasmon resonance in isolated nanoparticles and the influence of various size effects on its optical response are considered. The effect of dipole-dipole interaction between gold and silver nanoparticles on the optical properties of various nanosized and nanostructured objects is discussed. It is shown that both localized and delocalized (propagated) surface plasmon modes can be excited in composite gold and silver nanosystems, in particular, in porous films. The prospects for the practical application of nanostructures with arrays of gold and silver nanoparticles in sensor technology, surface-enhanced Raman spectroscopy, and modern optoelectronics are examined.