External Static Electric Field Research Articles

Laterally coupled circular quantum dots under applied electric field

The optical response of a system of two laterally coupled quantum dots with circular cross-sectional shape is investigated within the effective mass approximation, taking into account the effects of the change in the geometrical configuration, the application of an external static electric field, and the presence of a donor impurity center. The first-order dielectric susceptibility is calculated in order to derive the corresponding light absorption and relative refractive index coefficients. The possibility of tuning these optical properties by means of changes in the quantum dot symmetry and the electric field intensity is particularly discussed.

Exploring optical refractive index change of impurity doped quantum dots driven by white noise

We make an extensive exploration of total refractive index (RI) change of impurity doped quantum dots (QDs) in presence and absence of noise. The noise invoked in the present study is a Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been incorporated to the system additively and multiplicatively. A perpendicular magnetic field acts as a source of confinement and a static external electric field has been applied. The total RI change profiles have been studied as a function of incident photon energy when several important parameters such as optical intensity, electric field strength, magnetic field strength, confinement energy, dopant location, relaxation time, Al concentration, dopant potential, and noise strength assume different values. Additionally, the role of mode of application of noise (additive/multiplicative) on the total RI change profiles has also been examined minutely. The total RI change profiles mainly comprise of interesting observations such as shift of total RI change peak position and maximization/minimization of peak intensity. However, presence of noise conspicuously alters the features of total RI change profiles through some interesting manifestations. Moreover, the mode of application of noise (additive/multiplicative) also governs the total RI change profiles in diverse as well as often contrasting manners. The observations indicate possibilities of tailoring the linear and nonlinear optical properties of doped QD systems in presence of noise.

Saturated sodium chloride solution under an external static electric field: A molecular dynamics study**Project supported by the National Basic Research Program of China (Grant No. 2013CB932804) and the National Natural Science Foundation of China (Grant Nos. 91227115, 11274319, and 11421063).

The behavior of saturated aqueous NaCl solutions under a constant external electric field (E) was studied by molecular dynamics (MD) simulation. Our dynamic MD simulations indicated that the irreversible nucleation process towards crystallization is accelerated by a moderate E but retarded or even prohibited under a stronger E, which can be understood by the competition between self-diffusion and drift motion. The former increases with E, thereby accelerating the nucleation process, whereas the latter pulls oppositely charged ions apart under a stronger E, thereby decelerating nucleation. Additionally, our steady-state MD simulations indicated that a first-order phase transition occurs in saturated solutions at a certain threshold Ec. The magnitude of Ec increases with concentration because larger clusters form more easily when the solution is more concentrated and require a stronger E to dissociate.

Exploring electro-optic effect of impurity doped quantum dots in presence of Gaussian white noise

We explore the profiles of electro-optic effect (EOE) of impurity doped quantum dots (QDs) in presence and absence of noise. We have invoked Gaussian white noise in the present study. The quantum dot is doped with Gaussian impurity. Noise has been administered to the system additively and multiplicatively. A perpendicular magnetic field acts as a confinement source and a static external electric field has been applied. The EOE profiles have been followed as a function of incident photon energy when several important parameters such as electric field strength, magnetic field strength, confinement energy, dopant location, relaxation time, Al concentration, dopant potential, and noise strength possess different values. In addition, the role of mode of application of noise (additive/multiplicative) on the EOE profiles has also been scrutinized. The EOE profiles are found to be adorned with interesting observations such as shift of peak position and maximization/minimization of peak intensity. However, the presence of noise and also the pathway of its application bring about rich variety in the features of EOE profiles through some noticeable manifestations. The observations indicate possibilities of harnessing the EOE susceptibility of doped QD systems in presence of noise.

Noise-driven optical absorption coefficients of impurity doped quantum dots

We make an extensive investigation of linear, third-order nonlinear, and total optical absorption coefficients (ACs) of impurity doped quantum dots (QDs) in presence and absence of noise. The noise invoked in the present study is a Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been introduced to the system additively and multiplicatively. A perpendicular magnetic field acts as a source of confinement and a static external electric field has been applied. The AC profiles have been studied as a function of incident photon energy when several important parameters such as optical intensity, electric field strength, magnetic field strength, confinement energy, dopant location, relaxation time, Al concentration, dopant potential, and noise strength take on different values. In addition, the role of mode of application of noise (additive/multiplicative) on the AC profiles has also been analyzed meticulously. The AC profiles often consist of a number of interesting observations such as one photon resonance enhancement, shift of AC peak position, variation of AC peak intensity, and bleaching of AC peak. However, presence of noise alters the features of AC profiles and leads to some interesting manifestations. Multiplicative noise brings about more complexity in the AC profiles than its additive counterpart. The observations indeed illuminate several useful aspects in the study of linear and nonlinear optical properties of doped QD systems, specially in presence of noise. The findings are expected to be quite relevant from a technological perspective.

Bloch oscillation in correlated aperiodic ladders

AbstractAbstractauthoren We studied the dynamics of one electron under the influence of an external static electric field in a random two‐chains ladder with correlated disorder that presents localized and extended states at the same energy region. We showed that, depending on the initial wave packet, the electron undergoes an oscillatory movement. These oscillations depend on the strength of the disorder. We identify two oscillations regimes: (i) low‐disorder regime, where the oscillations have more than one frequency with one frequency being the trivial Bloch frequency; (ii) high‐disorder regime, where the electron oscillates with a single frequency equal to the Bloch frequency.

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients.

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solvent models are examined. Enforcing a variational ground state energy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempirical model chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Analytical gradients are further tested by performing microcanonical excited state molecular dynamics with p-nitroaniline.

Adaptive resolution simulation of polarizable supramolecular coarse-grained water models.

Multiscale simulations methods, such as adaptive resolution scheme, are becoming increasingly popular due to their significant computational advantages with respect to conventional atomistic simulations. For these kind of simulations, it is essential to develop accurate multiscale water models that can be used to solvate biophysical systems of interest. Recently, a 4-to-1 mapping was used to couple the bundled-simple point charge water with the MARTINI model. Here, we extend the supramolecular mapping to coarse-grained models with explicit charges. In particular, the two tested models are the polarizable water and big multiple water models associated with the MARTINI force field. As corresponding coarse-grained representations consist of several interaction sites, we couple orientational degrees of freedom of the atomistic and coarse-grained representations via a harmonic energy penalty term. This additional energy term aligns the dipole moments of both representations. We test this coupling by studying the system under applied static external electric field. We show that our approach leads to the correct reproduction of the relevant structural and dynamical properties.

Ac Stark effect in ThOH3Δ1for the electron electric-dipole-moment search

A method and code for calculations of diatomic molecules in the external variable electromagnetic field have been developed. Code applied for calculation of systematics in the electron's electric dipole moment search experiment on ThO $H^3\Delta_1$ state related to geometric phases, including dependence on $\Omega$-doublet, rotational level, and external static electric field. It is found that systematics decrease cubically with respect to the frequency of the rotating transverse component of the electric field. Calculation confirms that experiment on ThO $H^3\Delta_1$ state is very robust against systematic errors related to geometric phases.

Oscillator strength of impurity doped quantum dots: Influence of Gaussian white noise

We make a rigorous analysis of profiles of oscillator strength of a doped quantum dot in the presence and absence of noise. The noise employed here is a Gaussian white noise. The quantum dot is doped with repulsive Gaussian impurity. Noise has been administered additively and multiplicatively to the system. A perpendicular magnetic field is also present and a static external electric field has been applied. Profile of OS has been minutely monitored with variation of several important quantities such as confinement energy, electric field strength, dopant location, magnetic field strength, dopant potential, noise strength, Al concentration, and mode of application of noise. The profiles are enriched with significant subtleties and often reveal enhancement and maximization of oscillator strength in the presence of noise. These observations are indeed useful in the study of linear and nonlinear optical properties of doped QD systems which bear sufficient technological importance.

Comment on “Test of the Stark-effect theory using photoionization microscopy”

An article by Zhao et al. [Phys. Rev. A 86, 053413 (2012)] tests the local frame transformation (LFT) theory by comparing it with benchmark coupled-channel calculations. The system under consideration is an alkali-metal atom that is two-photon ionized in the presence of a static external electric field. Zhao et al. state that the differential cross sections computed in the LFT theory disagree with their supposedly more accurate coupled-channel calculations. They went on to diagnose the discrepancy and claimed that it originates in an inaccurate correspondence between the irregular functions in spherical and parabolic-cylindrical coordinates, a correspondence that lies at the heart of LFT theory. We have repeated the same tests and find that our calculations rule out the discrepancies that were claimed in Zhao et al. [Phys. Rev. A 86, 053413 (2012)] to exist between the LFT approximation and the exact calculations. This Comment thus helps to clarify the accuracy of the Harmin-Fano theory and demonstrates that it is in fact remarkably accurate not only for the total photoionization cross section in the Stark effect, but also for the differential cross section in photoionization microscopy.

Diffusion of hydrogen interstitials in the near-surface region of Pd(111) under the influence of surface coverage and external static electric fields.

Past scanning tunneling microscopy (STM) experiments of H manipulation on Pd(111), at low temperature, have shown that it is possible to induce diffusion of surface species as well as of those deeply buried under the surface. Several questions remain open regarding the role of subsurface site occupancies. In the present work, the interaction potential of H atoms with Pd(111) under various H coverage conditions is determined by means of density functional theory calculations in order to provide an answer to two of these questions: (i) whether subsurface sites are the final locations for the H impurities that attempt to emerge from bulk regions, and (ii) whether penetration of the surface is a competing route of on-surface diffusion during depletion of surface H on densely covered Pd(111). We find that a high H coverage has the effect of blocking resurfacing of H atoms travelling from below, which would otherwise reach the surface fcc sites, but it hardly alters deeper diffusion energy barriers. Penetration is unlikely and restricted to high occupancies of hcp hollows. In agreement with experiments, the Pd lattice expands vertically as a consequence of H atoms being blocked at subsurface sites, and surface H enhances this expansion. STM tip effects are included in the calculations self-consistently as an external static electric field. The main contribution to the induced surface electric dipoles originates from the Pd substrate polarisability. We find that the electric field has a non-negligible effect on the H-Pd potential in the vicinity of the topmost Pd atomic layer, yet typical STM intensities of 1-2 VÅ(-1) are insufficient to invert the stabilities of the surface and subsurface equilibrium sites.

Water response to intense electric fields: A molecular dynamics study.

This paper investigated polarization properties of water molecules in close proximity to an ionic charge in the presence of external electric fields by using an approach based on simulations at the atomic level. We chose sodium and chloride ions in water as examples of dilute ionic solutions and used molecular dynamics simulations to systematically investigate the influence of an external static electric field on structural, dipolar, and polarization properties of water near charged ions. Results showed that a threshold electric field higher than 10(8) V/m is needed to affect water polarization and increase mean dipole moment of water molecules close to the ion. A similar threshold holds for water permittivity profiles, although a field 10× higher is needed to ensure that water permittivity is almost constant independently of the position close to the ion. Electric fields of such intensities can greatly enhance polarizability of water in hydration shells around ions.

Weak-field asymptotic theory of tunneling ionization: benchmark analytical results for two-electron atoms

The recently developed many-electron weak-field asymptotic theory of tunneling ionization of atoms and molecules in an external static electric field (Tolstikhin et al 2014, Phys. Rev. A 89, 013421) is extended to the first-order terms in the asymptotic expansion in field. To highlight the results, here we present a simple analytical formula giving the rate of tunneling ionization of two-electron atoms H− and He. Comparison with fully-correlated ab initio calculations available for these systems shows that the first-order theory works quantitatively in a wide range of fields up to the onset of over-the-barrier ionization and hence is expected to find numerous applications in strong-field physics.

Tuning diagonal components of static linear and first nonlinear polarizabilities of doped quantum dots by Gaussian white noise

We investigate the modulation of diagonal components of static linear (αxx, αyy) and first nonlinear (βxxx, βyyy) polarizabilities of quantum dots by Gaussian white noise. Quantum dot is doped with impurity represented by a Gaussian potential and repulsive in nature. The study reveals the importance of mode of application of noise (additive/multiplicative) on the polarizability components. The doped system is further exposed to a static external electric field of given intensity. As important observation we have found that the strength of additive noise becomes unable to influence the polarizability components. However, the multiplicative noise influences them conspicuously and gives rise to additional interesting features. Multiplicative noise even enhances the magnitude of the polarizability components immensely. The present investigation deems importance in view of the fact that noise seriously affects the optical properties of doped quantum dot devices.

Structure factors for tunneling ionization rates of diatomic molecules

Within the leading-order, single-active-electron, and frozen-nuclei approximation of the weak-field asymptotic theory, the rate of tunneling ionization of a molecule in an external static uniform electric field is determined by the structure factor for the highest occupied molecular orbital. We present the results of systematic calculations of structure factors for 40 homonuclear and heteronuclear diatomic molecules by the Hartree–Fock method using a numerical grid-based approach implemented in the program X2DHF.

Coupled-Perturbed SCF Approach for Calculating Static Polarizabilities and Hyperpolarizabilities with Nonorthogonal Localized Molecular Orbitals.

Coupled-perturbed self-consistent-field (CPSCF) approach has been broadly used for polarizabilities and hyperpolarizabilities computation. To extend this application to large systems, we have reformulated the CPSCF equations with nonorthogonal localized molecular orbitals (NOLMOs). NOLMOs are the most localized representation of electronic degrees of freedom. Methods based on NOLMOs are potentially ideal for investigating large systems. In atomic orbital representation, with a static external electric field added, the wave function and SCF operator of unperturbed NOLMO-SCF wave function/orbitals are expanded to different orders of perturbations. We have derived the corresponding equations up to the third order, which are significantly different from those of a conventional CPSCF method because of the release of the orthogonal restrictions on MOs. The solution to these equations has been implemented. Several chemical systems are used to verify our method. This work represents the first step toward efficient calculations of molecular response and excitation properties with NOLMOs.

Two-electron quantum ring in short pulses

The response of a two-electron quantum ring system to the short laser pulses of different shapes in the presence of external static electric field is studied. The variation of transition probabilities of the two-electron quantum ring from ground state to excited states with a number of parameters is shown and explained. The energy levels and wavefunctions of the system in the presence of static electric field are found by solving the time-independent Schrödinger equation numerically by the finite difference method. The shape of the pulse plays a dominant role on the dynamics.

Angular dependence of ferromagnetic resonance as indicator of the nature of magnetoelectric coupling in ferromagnetic-ferroelectric heterostructures

We investigate theoretically how ferromagnetic resonance (FMR) in a multiferroic heterostructure provides quantitative information on multiferroic coupling. In particular, we analyze the asymmetry of the angular dependence of FMR on the direction of resonance magnetic fields as experimentally reported for ${\mathrm{Co}/\mathrm{BaTiO}}_{3}$ [Jedrecy et al., Phys. Rev. B 88, 121409(R) (2013)] and for ${\mathrm{permalloy}/\mathrm{Pb}(\mathrm{MgNb})\mathrm{O}}_{3}\ensuremath{-}{\mathrm{PbTiO}}_{3}$ [Nan et al., Sci. Rep. 4, 3688 (2014)]. Based on both analytical expressions for the dependence of FMR on the magnetic-field orientation and full numerical simulations which account for mutually coupled polarization $\mathbf{P}$ and magnetization $\mathbf{M}$ dynamics, we conclude that it is the linear magnetoelectric coupling in $\mathbf{P}$ and $\mathbf{M}$ originating from spin-dependent screening that leads to the experimentally observed asymmetry in FMR angular behavior. This suggests that angular resolved FMR is well suited to quantify the type and the strength of magnetoelectric coupling. In addition, we predict a pronounced thickness dependence of the resonance asymmetries and show how the FMR angular asymmetry can be tuned by an external static electric field. The possibility to observe electric-field-assisted FMR in the absence of an external static magnetic field is also discussed.

Dynamics of ultimately short electromagnetic pulses in chiral carbon nanotubes in the presence of an external field

The wave equation for an electromagnetic field that propagates in chiral carbon nanotubes is analyzed with allowance for an external static electric field. An equation for the pulse evolution that is similar to the sine-Gordon equation is derived. The dependences of the dynamics of an electromagnetic pulse on the external field, initial amplitude, and pulse velocity are studied. The analysis is performed with allowance for and disregard of the external field.