External Homogeneous Electric Field Research Articles

Atomistic designing of 2D quantum materials heterostructures CdF/CrI3 for Berry curvature driven tunable intrinsic anomalous Hall state

The coupling between topology and magnetism can explore rich physics with fundamental interest. Passing through the phase of Bismuth-based topological insulators magnetized by the 3d/4f transition metal doping, currently the fabrication of quantum heterostructures by suitable new-generation 2D materials, has emerged as a prospective alternative. Following the current trends, the present investigation deals with the atomistic designing and investigation of the quantum heterostructures of the newly predicted massive Dirac semimetal CdF and well-known layered ferromagnetic insulator CrI3 using the first-principles density functional theory calculations supplemented by the low energy tight-binding model Hamiltonian. The designed strategy ensures the lattice mismatch should be within the permissible range. We have addressed the physical characteristics of heterostructures in terms of the non-trivial topological band inversion between Cd-5s and I-2p orbitals. Proximity effect induces magnetic interactions, breaks the time-reversal symmetry at the interface, and leads to Berry curvature-driven tunable intrinsic anomalous Hall conductance (AHC) at the Fermi energy. Our analysis reveals the electrons with high Fermi velocity (106 m s−1) in the heterostructures and the band topology at the Fermi level can be tuned effectively using very small external gate voltage or homogeneous electric field. Our investigation can open up new avenues for designing new topological phases in the heterostructure community and possible tailoring routes of the intrinsic AHC in moderate temperature.

Polaronic Effects on the Electron Raman Scattering in a Spherical Anisotropic Quantum Dot

We study the polaronic effect on the differential cross section (DCS) for an electron Raman scattering process in a spherical anisotropic semiconductor quantum dot in the presence of a homogeneous external electric field. The Fröhlich coupling of electrons with confined and surface polar optical phonon modes for resonance Raman scattering is considered. The influence of electron-phonon coupling on the energy spectrum is taken into account in the framework of perturbation theory. The emission spectra are discussed for different anisotropy cases. Resonant peaks in the spectra are found and interpreted.

Electric field control of labyrinth domain structures in core-shell ferroelectric nanoparticles

In the framework of the Landau-Ginzburg-Devonshire (LGD) approach, we studied the possibility of controlling the polarity and morphology of equilibrium domain structures by a homogeneous external electric field in a nanosized ferroelectric core covered with an ultrathin shell of screening charge. Under certain screening lengths and core sizes, the minimum of the LGD energy, which consists of Landau-Devonshire energy, Ginzburg polarization gradient energy, and electrostatic terms, leads to the spontaneous appearance of stable labyrinth domain structures in the core. The labyrinths evolve from an initial polarization distribution consisting of arbitrarily small randomly oriented nanodomains. The equilibrium labyrinth structure is weakly influenced by details of the initial polarization distribution, such that one can obtain a quasicontinuum of nearly degenerate labyrinth structures, whose number is limited only by the mesh discretization density. Applying a homogeneous electric field to a nanoparticle with labyrinth domains, and subsequently removing it, allows inducing changes to the labyrinth structure, as the maze polarity is controlled by a field projection on the particle polar axis. Under specific conditions of the screening charge relaxation, the quasistatic dielectric susceptibility of the labyrinth structure can be negative, potentially leading to a negative capacitance effect. Considering the general validity of the LGD approach, we expect that an electric field control of labyrinth domains is possible in many spatially confined nanosized ferroics, which can be potentially interesting for advanced cryptography and modern nanoelectronics.

Geometric origin of intrinsic spin hall effect in an inhomogeneous electric field

In recent years, the spin Hall effect has received great attention because of its potential application in spintronics and quantum information processing and storage. However, this effect is usually studied under the external homogeneous electric field. Understanding how the inhomogeneous electric field affects the spin Hall effect is still lacking. Here, we investigate a two-dimensional two-band time-reversal symmetric system and give an expression for the intrinsic spin Hall conductivity in the presence of the inhomogeneous electric field, which is shown to be expressed through the geometric quantities: quantum metric and interband Berry connection. We show that for Rashba and Dresselhaus systems, the inhomogeneous intrinsic spin Hall conductivity can be tuned with the Fermi energy. On the other hand, when people get physical intuition on transport phenomena from the wave packet, one issue appears. It is shown that the conductivity obtained from the conventional wave packet approach cannot be fully consistent with the one predicted by the Kubo-Greenwood formula. Here, we attempt to solve this problem.

Manipulation and control of droplets on surfaces in a homogeneous electric field

A method to manipulate and control droplets on a surface is presented. The method is based on inducing electric dipoles inside the droplets using a homogeneous external electric field. It is shown that the repulsive dipole force efficiently suppresses the coalescence of droplets moving on a liquid-infused surface (LIS). Using a combination of experiments, numerical computations and semi-analytical models, the dependence of the repulsion force on the droplet volumes, the distance between the droplets and the electric field strength is revealed. The method allows to suppress coalescence in complex multi-droplet flows and is real-time adaptive. When the electric field strength exceeds a critical value, tip streaming from the droplets sets in. Based on that, it becomes possible to withdraw minute samples from an array of droplets in a parallel process.

One-phonon resonant Raman scattering in a semiconductor nanowire in presence of an external homogeneous electric field

In this work, a theory of one-phonon resonant Raman scattering model for a cylindrical symmetry semiconductor nanowire long enough to be considered infinite in the presence of a homogeneous external electric field in transversal direction to the axis of the nanowire was developed. We considered T = 0 K and a nanowire with infinite potential barrier. Moreover, parabolic bands have been assumed; the conduction band being completely empty, and a completely full valence band. Thus, the mathematical expressions of the Raman scattering differential cross section and the Raman efficiency have been obtained. In the case of electron-phonon interaction, the free-standing wire model was used. For the calculation of the electron states a model taking into account the conditions imposed by the electric field was used, which was assumed as valid for weak fields regarding confinement. To illustrate the results, the nanowire made of GaAs with a zinc-blende-type structure was considered. It was found that the presence of the electric field caused an increase in Raman efficiency. In addition, it was observed that the electric field caused the appearance of singularities in the Raman spectra due to the breaking of the selection rules for the creation and annihilation of the electron-hole pair, and the emission of non-longitudinal optical phonons was also verified. • Electron and hole states under external homogeneous electric field transverse to nanowire axis. • Raman scattering efficiency for a one-phonon resonant Raman scattering process. • Differential cross-section for a one-phonon resonant Raman scattering process. • Study of the changes that occur in the selection rule for the electron-photon transitions. • Effect of the electric field on the Raman scattering efficiency and differential cross section.

Hydrogen and Halogen Bonding in Homogeneous External Electric Fields: Modulating the Bond Strengths.

Recent years have witnessed various fascinating phenomena arising from the interactions of noncovalent bonds with homogeneous external electric fields (EEFs). Here we performed a computational study to interpret the sensitivity of intrinsic bond strengths to EEFs in terms of steric effect and orbital interactions. The block-localized wavefunction (BLW) method, which combines the advantages of both ab initio valence bond (VB) theory and molecular orbital (MO) theory, and the subsequent energy decomposition (BLW-ED) approach were adopted. The sensitivity was monitored and analyzed using the induced energy term, which is the variation in each energy component along the EEF strength. Systems with single or multiple hydrogen (H) or halogen (X) bond(s) were also examined. It was found that the X-bond strength change to EEFs mainly stems from the covalency change, while generally the steric effect rules the response of H-bonds to EEFs. Furthermore, X-bonds are more sensitive to EEFs, with the key difference between H- and X-bonds lying in the charge transfer interaction. Since phenylboronic acid has been experimentally used as a smart linker in EEFs, switchable sensitivity was scrutinized with the example of the phenylboronic acid dimer, which exhibits two conformations with either antiparallel or parallel H-bonds, thereby, opposite or consistent responses to EEFs. Among the studied systems, the quadruple X-bonds in molecular capsules exhibit remarkable sensitivity, with its interaction energy increased by -95.2 kJ mol-1 at the EEF strength 0.005 a.u.

Electro-optical properties of excitons in Cu2O quantum wells. I. Discrete states

We present a theoretical calculation of optical functions for ${\mathrm{Cu}}_{2}\mathrm{O}$ quantum well (QW) with Rydberg excitons, in an external homogeneous electric field of an arbitrary strength. Two configurations of an external electric field perpendicular and parallel to the QW plane are considered in the energetic region for discrete excitonic states. With the help of the real density matrix approach, which enables the derivation of the analytical expressions for the QW electro-optical functions, absorption spectra are calculated for the case of the excitation energy below the effective band gap.

Massive dipoles across the metal-semiconductor cluster interface: towards chemically controlled rectification.

An interface between a metallic cluster (MgAl12) and a semiconducting cluster (Re6Se8(PMe3)5) is shown to be marked by a massive dipole reminiscent of a dipolar layer leading to a Schottky barrier at metal-semiconductor interfaces. The metallic cluster MgAl12 with a valence electron count of 38 electrons is two electrons short of 40 electrons needed to complete its electronic shells in a superatomic model and is marked by a significant electron affinity of 2.99 eV. On the other hand, the metal-chalcogenide semiconducting cluster Re6Se8(PMe3)5, consisting of a Re6Se8 core ligated with five trimethylphosphine ligands, is highly stable in the +2 charge-state owing to its electronic shell closure, and has a low ionization energy of 3.3 eV. The composite cluster Re6Se8(PMe3)5-MgAl12 formed by combining the MgAl12 cluster through the unligated site of Re6Se8(PMe3)5 exhibits a massive dipole moment of 28.38 D resulting from a charge flow from Re6Se8(PMe3)5 to the MgAl12 cluster. The highest occupied molecular orbital (HOMO) of the composite cluster is on the MgAl12 side, which is 0.53 eV below the lowest unoccupied molecular orbital (LUMO) localized on the Re6Se8(PMe3)5 cluster, reminiscent of a Schottky barrier at metal-semiconductor interfaces. Therefore, the combination can act as a rectifier, and an application of a voltage of approximately 4.1 V via a homogeneous external electric field is needed to overcome the barrier aligning the two states: the HOMO in MgAl12 with the LUMO in Re6Se8(PMe3)5. Apart from the bias voltage, the barrier can also be reduced by attaching ligands to the metallic cluster, which provides chemical control over rectification. Finally, the fused cluster is shown to be capable of separating electron-hole pairs with minimal recombination, offering the potential for photovoltaic applications.

On relaxation processes in a completely ionized plasma

Relaxation of the electron energy and momentum densities is investigated in spatially uniform states of completely ionized plasma in the presence of small constant and spatially homogeneous external electric field. The plasma is considered in a generalized Lorentz model which contrary to standard one assumes that ions form an equilibrium system. Following to Lorentz it is neglected by electron-electron and ion-ion interactions. The investigation is based on linear kinetic equation obtained by us early from the Landau kinetic equation. Therefore long-range electron-ion Coulomb interaction is consequentially described. The research of the model is based on spectral theory of the collision integral operator. This operator is symmetric and positively defined one. Its eigenvectors are chosen in the form of symmetric irreducible tensors which describe kinetic modes of the system. The corresponding eigenvalues are relaxation coefficients and define the relaxation times of the system. It is established that scalar and vector eigenfunctions describe evolution of electron energy and momentum densities (vector and scalar system modes). By this way in the present paper exact close set of equations for the densities valid for all times is obtained. Further, it is assumed that their relaxation times are much more than relaxation times of all other modes. In this case there exists a characteristic time such that at corresponding larger times the evolution of the system is reduced described by asymptotic values of the densities. At the reduced description electron distribution function depends on time only through asymptotic densities and they satisfy a closed set of equations. In our previous paper this result was proved in the absence of an external electric field and exact nonequilibrium distribution function was found. Here it is proved that this reduced description takes also place for small homogeneous external electric field. This can be considered as a justification of the Bogolyubov idea of the functional hypothesis for the relaxation processes in the plasma. The proof is done in the first approximation of the perturbation theory in the field. However, its idea is true in all orders in the field. Electron mobility in the plasma, its conductivity and phenomenon of equilibrium temperature difference of electrons and ions are discussed in exact theory and approximately analyzed. With this end in view, following our previous paper, approximate solution of the spectral problem is discussed by the method of truncated expansion of the eigenfunctions in series of the Sonine polynomials. In one-polynomial approximation it is shown that nonequilibrium electron distribution function at the end of relaxation processes can be approximated by the Maxwell distribution function. This result is a justification of Lorentz–Landau assumption in their theory of nonequilibrium processes in plasma. The temperature and velocity relaxation coefficients were calculated by us early in one- and two-polynomial approximation.

Rotatory Response of Molecular Electron Momentum Densities in Linear, Homogeneous Weak Electric Fields: A Topographical Analysis.

One-electron properties for molecules such as electron density, electrostatic potential (ESP), and electron momentum density (EMD) are experimentally tractable quantities, useful in understanding chemical characteristics. In this work, effects of a uniform homogeneous external electric field on some characteristic one-electron properties of simple molecules are analyzed. EMDs and ESPs were used to understand the response of water, hydrogen fluoride, carbon monoxide, chloroacetylene, and ammonia in an electric field. Remarkably, the EMD maxima for these molecules get rotated as the electric field strength is varied. A greater order of change in EMD than in ESP with increasing electric field strength brings out the sensitivity of the EMDs, especially for the valence electronic region, which in the momentum space is mapped onto the vicinity of its origin. The eigenvectors of the EMD Hessian maxima at the momentum-space origin are seen to rotate as a function of increasing field strength, with the extra angular momentum imparted by the field manifesting itself as reconfiguration of the EMD distribution. In the presence of the field, valence states may couple with higher electronic states, leading to a mixing of the states resulting in avoided crossings as a function of the field strength. The avoided crossings legitimately estimate maximal field strength limits for the calculation, prior to ionization.

Nonlinear dynamics and energy transfer for two rotating dipoles in an external field: A complete dimensional analysis

We investigate the structure and the nonlinear dynamics of two rigid polar rotors coupled through the dipole-dipole interaction in an external homogeneous electric field. In the field-free stable head-tail configuration, an excess energy is provided to one of the dipoles, and we explore the resulting complete dimensional classical dynamics. This dynamics is characterized in terms of the kinetic energy transfer between the dipoles, their orientation along the electric field, as well as their chaotic behavior. The field-free energy transfer mechanism shows an abrupt transition between equipartition and non-equipartition regimes, which is independent of the initial direction of rotation due to the existence of an infinite set of equivalent manifolds. The field-dressed dynamics is highly complex and strongly depends on the electric field strength and on the initial conditions. In the strong field regime, the energy equipartition and chaotic behavior dominate the dynamics.

Mixed second and third energy derivatives from auxiliary density perturbation theory

The working equations for the calculation of mixed second- and third-order energy derivatives in the framework of auxiliary density functional theory are presented. The perturbations with respect to nuclear displacements and external homogeneous electric field components are calculated with auxiliary density perturbation theory. The presented energy derivative working equations were implemented in deMon2k and validated by vibrational spectra simulations within the double harmonic approximation. The effect of the auxiliary functions on the IR and Raman spectra simulation were analysed for the C60 fullerene. As applications, vibrational spectra of icosahedral carbon fullerenes with up to 540 atoms are calculated without employing symmetry constraints.

Top electrode size effects in the piezoresponse force microscopy of piezoelectric thin films attached to a rigid substrate

In order to avoid the highly concentrated electric field induced beneath the sharp tip, the technique using a top coating electrode in the piezoresponse force microscopy (PFM) has been developed to detect the piezoelectric coefficients. Reliable theory should be erected to explain the broadly reported top electrode size effects and relate the responses with material constants. In this paper, the surface displacement, electric potential inside the film, electric charge and effective piezoelectric coefficient are expressed as a set of integral equations. Analytical solutions are obtained for two limiting cases, i.e., half space (HS) and infinitely thin film (IT). The effective piezoelectric coefficient of the HS case is proved to be the same as that from the PFM of a piezoelectric half plane without a top coating. For the IT case, it is identical to the well-known piezoelectric coefficient result of piezoelectric thin film clamped between flat rigid electrodes subject to homogeneous external electric field. For PZT4 thin layer, numerical results reveal that the surface displacement obviously decreases and the electric potential distributions inside the film become more and more homogeneous as the electrode radius to film thickness ratio (a/t) enlarges. The electric charge dramatically increases while the effective piezoelectric coefficient evidently decreases and they both transfer from the HS solutions to the IT results when a/t varies from 0.001 to 20. The transition occurs at about a/t = 1 in agreement with the experimental observations. A critical top electrode size, i.e., a/t > 10, is obtained and applicable to other piezoelectric materials. Under such circumstances, one can readily gain the piezoelectric coefficients e33, d33 and the dielectric coefficient if other mechanical coefficients and one piezoelectric constant are known a prior.

Local equilibria and state transfer of charged classical particles on a helix in an electric field.

We explore the effects of a homogeneous external electric field on the static properties and dynamical behavior of two charged particles confined to a helix. In contrast to the field-free setup which provides a separation of the center-of-mass and relative motion, the existence of an external force perpendicular to the helix axis couples the center-of-mass to the relative degree of freedom leading to equilibria with a localized center of mass. By tuning the external field various fixed points are created and/or annihilated through different bifurcation scenarios. We provide a detailed analysis of these bifurcations based on which we demonstrate a robust state transfer between essentially arbitrary equilibrium configurations of the two charges that can be induced by making the external force time dependent.

Analysis of the classical phase space and energy transfer for two rotating dipoles with and without external electric field.

We explore the classical dynamics of two interacting rotating dipoles that are fixed in the space and exposed to an external homogeneous electric field. Kinetic energy transfer mechanisms between the dipoles are investigated by varying both the amount of initial excess kinetic energy of one of them and the strength of the electric field. In the field-free case, and depending on the initial excess energy, an abrupt transition between equipartition and nonequipartition regimes is encountered. The study of the phase space structure of the system as well as the formulation of the Hamiltonian in an appropriate coordinate frame provide a thorough understanding of this sharp transition. When the electric field is turned on, the kinetic energy transfer mechanism is significantly more complex and the system goes through different regimes of equipartition and nonequipartition of the energy including chaotic behavior.

Strain of a BaTiO3 single crystal caused by the converse flexoelectric effect

The inhomogeneous strain induced by a homogeneous external electric field (the converse flexoelectric effect) has been studied in a thin BaTiO3 single crystal slab. The type of inhomogeneous strain (cylindrical and spherical bending) has been determined via the interference method, and its dependence on the applied filed is measured, as well. The influence of the domain structure on this effect has also been shown.

Frequency stabilization of a single-photon source based on spontaneous parametric down-conversion by an external electric field

In this paper, we examine a method of controlling the spectrum of spontaneous parametric down-conversion in crystals with quadratic nonlinearity by an external homogeneous electric field via the Pockels effect, and discuss the possibility of stabilizing the carrier frequency of the corresponding single-photon source based on backward-wave spontaneous parametric down-conversion.

Asymptotic Effective Piezoelectric Coefficient Solution of Piezoresponse Force Microscopy for a Transversely Isotropic Piezoelectric Film

Based on the coupled theory, a simple explicit solution of piezoresponse force microscopy (PFM) in determining the effective piezoelectric coefficient for an ultra-thin transversely isotropic piezoelectric film bonded to a rigid conducting substrate is obtained, using the Taylor expansion and homogeneous assumption. And it is found to be exactly the same as the well-known result for the case of piezoelectric thin film clamped between flat rigid electrodes for homogeneous external electric field. The electric charge and the distance from the image charge model are also derived and the influences of the film thickness and substrate permittivity on the effective piezoelectric coefficient are then discussed. The obtained results can be used to quantitatively interpret the PFM signals and directly detect the piezoelectric constant through PFM for an ultra-thin film or supply important information for constructing a reliable formula to describe the thickness effect.

Communication: Polarizable polymer chain under external electric field in a dilute polymer solution.

We study the conformational behavior of polarizable polymer chain under an external homogeneous electric field within the Flory type self-consistent field theory. We consider the influence of electric field on the polymer coil as well as on the polymer globule. We show that when the polymer chain conformation is a coil, application of external electric field leads to its additional swelling. However, when the polymer conformation is a globule, a sufficiently strong field can induce a globule-coil transition. We show that such "field-induced" globule-coil transition at the sufficiently small monomer polarizabilities goes quite smoothly. On the contrary, when the monomer polarizability exceeds a certain threshold value, the globule-coil transition occurs as a dramatic expansion in the regime of first-order phase transition. The developed theoretical model can be applied to predicting polymer globule density change under external electric field in order to provide more efficient processes of polymer functionalization, such as sorption, dyeing, and chemical modification.